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Molecules | An Open Access Journal from MDPI
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S. Dahms</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5536; https://doi.org/10.3390/molecules29235536 (registering DOI) - 23 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> <i>Candida albicans</i> is an emerging multidrug-resistant opportunistic pathogen that causes candidiasis, superficial infections on the mucosa, nails or skin, and life-threatening candidemia in deep tissue when disseminated through the bloodstream. Recently, there has been a sharp rise in resistant strains, posing a considerable <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5536/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> <i>Candida albicans</i> is an emerging multidrug-resistant opportunistic pathogen that causes candidiasis, superficial infections on the mucosa, nails or skin, and life-threatening candidemia in deep tissue when disseminated through the bloodstream. Recently, there has been a sharp rise in resistant strains, posing a considerable clinical challenge for the treatment of candidiasis. There has been a resurged interest in the pharmacological properties of essential oils and their active components, for example, monoterpenes with alcohol (-OH) and aldehyde (-CHO) groups. Eugenol and citral have shown promising in vitro and in vivo activity against <i>Candida</i> species. Although there is substantial research on the efficacy of these essential oil components against <i>C. albicans</i>, a detailed knowledge of their mycological mechanisms is lacking. To explore the broad-spectrum effects of EOs, it is more meaningful and rational to study the whole essential oil, along with some of its major components. This review provides a comprehensive overview of eugenol and citral anticandidal and antivirulence activity, alone and together, along with the associated mechanisms and limitations of our current knowledge. <a href="/1420-3049/29/23/5536">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Special Issue <a href=" /journal/molecules/special_issues/1IJKE0X11V ">Chemical Composition and Anti-inflammatory Activity of Essential Oils</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5536/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1527576"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1527576"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1527576" data-cycle-prev="#prev1527576" data-cycle-progressive="#images1527576" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1527576-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05536/article_deploy/html/images/molecules-29-05536-g001-550.jpg?1732340409" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1527576" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1527576-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05536/article_deploy/html/images/molecules-29-05536-g002-550.jpg?1732340410'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1527576-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05536/article_deploy/html/images/molecules-29-05536-g003-550.jpg?1732340414'><p>Figure 3</p></div></script></div></div><div id="article-1527576-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05536/article_deploy/html/images/molecules-29-05536-g001-550.jpg?1732340409" title=" <strong>Figure 1</strong><br/> <p>Natural sources of eugenol (<b>a</b>) and citral (<b>b</b>). The upper images indicate their scientific names and the lower images are common names.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5536'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05536/article_deploy/html/images/molecules-29-05536-g002-550.jpg?1732340410" title=" <strong>Figure 2</strong><br/> <p>Chemical structures of eugenol and citral.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5536'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05536/article_deploy/html/images/molecules-29-05536-g003-550.jpg?1732340414" title=" <strong>Figure 3</strong><br/> <p>Proposed model for the anticandidal activity of eugenol and citral after short-term exposure. (<b>a</b>) We propose the anticandidal mechanism of eugenol as a simplified model showing (1) eugenol entering the cell membrane, causing membrane depolarization and ergosterol binding, with membrane defects leading to immediate cell cycle arrest at the G1/S phase. In (2), eugenol’s phenolic group facilitates its entry into the cytoplasm, disrupting ergosterol biosynthesis and protein trafficking, which triggers mitochondrial imbalance and the overproduction of ROS. (3) Loss of mitochondrial membrane function causes accumulation of intracellular ROS, which can damage nucleic acids, MTs, and the cell membrane and cause leakage of intracellular contents and cell death. (<b>b</b>) The proposed anticandidal mechanism of citral shows it (1) easily penetrating the cell membrane, causing membrane depolarization and immediate cell cycle arrest at the G1/S phase. (2) Once the cell membrane is saturated, citral passes into the cytosol where it preferentially partitions into MTs and vacuolar and mitochondrial membranes. (3) Loss of organelle membrane potential causes vacuolar segregation and disrupts the mitochondrial proton gradient, hampering the normal function of these organelles. On the other hand, association with MTs causes defects in cell separation and induces pseudohyphal growth.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5536'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="extending-content content-ready"> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1527554" aria-controls="drop-supplementary-1527554" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1527554" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5535/s1?version=1732335631"> Supplementary File 1 (ZIP, 708 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 15 pages, 2062 KiB </span> <a href="/1420-3049/29/23/5535/pdf?version=1732344156" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="A Pre-Column Derivatization Method for the HPLC-FLD Determination of Dimethyl and Diethyl Amine in Pharmaceuticals" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5535">A Pre-Column Derivatization Method for the HPLC-FLD Determination of Dimethyl and Diethyl Amine in Pharmaceuticals</a> <div class="authors"> by <span class="inlineblock "><strong>Georgios Kamaris</strong>, </span><span class="inlineblock "><strong>Maria Tsami</strong>, </span><span class="inlineblock "><strong>Georgiana-Roxana Lotca</strong>, </span><span class="inlineblock "><strong>Sofia Almpani</strong> and </span><span class="inlineblock "><strong>Catherine K. Markopoulou</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5535; https://doi.org/10.3390/molecules29235535 (registering DOI) - 23 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> In recent years, the detection of nitrosamine precursors has become an important issue for regulatory authorities such as the European Medicines Agency (EMA) and the Food and Drug Administration (FDA). The present study provides a pre-column derivatization method for the analysis of dimethylamine <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5535/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> In recent years, the detection of nitrosamine precursors has become an important issue for regulatory authorities such as the European Medicines Agency (EMA) and the Food and Drug Administration (FDA). The present study provides a pre-column derivatization method for the analysis of dimethylamine (DMA) and diethylamine (DEA) in pharmaceutical products using HPLC and a fluorescence detector. Appropriate chromatographic parameters, including mobile phase composition (organic solvent, buffer, pH), elution type, flow rate, temperature, and λexcitation/emission, were investigated. Analysis was performed at λ<sub>excitation</sub> = 450 nm and λ<sub>emission</sub> = 540 nm on a C<sub>18</sub> column (at 40 °C) using gradient elution as a mobile phase with Eluent A: Phosphoric Acid Buffer (20 mM, pH = 2.8) and Eluent B: methanol, with a flow of 0.8 mL/min. The method was validated according to ICH specifications in terms of linearity (0.5–10 ng/mL for DMA and 5–100 ng/mL for DEA), specificity, and robustness, as well as repeatability, intermediate precision (%RSD < 2.9), and accuracy (% recovery 98.2–102.0%). The derivatization process was optimized using the “Crossed D-Optimal” experimental design procedure, where one mixture component was cross-correlated with two factors. The stability of the samples was studied over a period of one month. To process the samples (pharmaceuticals), various purification techniques were tried using solid/liquid or liquid/liquid extraction with dichloromethane. Finally, a straightforward solid-phase extraction (SPE, C<sub>18</sub>) method was chosen prior to derivatization. The method was successfully applied, since the extraction recoveries were >81.6% for DMA (0.5 ppm) and >81.1% for DEA (5 ppm). Based on the results obtained and the available literature, the scientific community seeks, by proposing flexible analytical methods, to delimit the problem of nitrosamines. <a href="/1420-3049/29/23/5535">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Special Issue <a href=" /journal/molecules/special_issues/WEUF6G480R ">Applications of Fluorescent Sensors in Food and Environment</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5535/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1527554"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1527554"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1527554" data-cycle-prev="#prev1527554" data-cycle-progressive="#images1527554" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1527554-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g001-550.jpg?1732344229" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1527554" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1527554-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g002-550.jpg?1732344230'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1527554-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g003-550.jpg?1732344232'><p>Figure 3</p></div> --- <div class='openpopupgallery' data-imgindex='3' data-target='article-1527554-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g004-550.jpg?1732344233'><p>Figure 4</p></div> --- <div class='openpopupgallery' data-imgindex='4' data-target='article-1527554-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g005-550.jpg?1732344236'><p>Figure 5</p></div></script></div></div><div id="article-1527554-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g001-550.jpg?1732344229" title=" <strong>Figure 1</strong><br/> <p>Reaction between NBD-Cl and (<b>a</b>) DMA, (<b>b</b>) DEA.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5535'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g002-550.jpg?1732344230" title=" <strong>Figure 2</strong><br/> <p>Stability test for NBD-DMA (blue) and NBD-DEA (orange) derivatives.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5535'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g003-550.jpg?1732344232" title=" <strong>Figure 3</strong><br/> <p>Chromatograms of blank (pink) and diluted standard mix (black) of DΜA and DΕA (C<sub>DMA</sub> = 10 ng/mL and C<sub>DMA</sub> = 100 ng/mL).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5535'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g004-550.jpg?1732344233" title=" <strong>Figure 4</strong><br/> <p>Sample preparation steps.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5535'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05535/article_deploy/html/images/molecules-29-05535-g005-550.jpg?1732344236" title=" <strong>Figure 5</strong><br/> <p>Chromatograms of (<b>A</b>) blank diluent (red), blank after SPE and derivatization (pink), unspike for Uniphyllin tablets (black) and spiked for Uniphyllin tablets (blue); (<b>B</b>) blank diluent (red), blank after SPE and derivatization (pink) unspike for Xylosan 2% (brown) and spiked for Xylosan 2% (blue).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5535'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1527546" aria-controls="drop-supplementary-1527546" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1527546" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5534/s1?version=1732334112"> Supplementary File 1 (ZIP, 2194 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 14 pages, 21215 KiB </span> <a href="/1420-3049/29/23/5534/pdf?version=1732334112" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="A Dual-Functional and Efficient MOF-5@MWCNTs Electrochemical Sensing Device for the Measurement of Trace-Level Acetaminophenol and Dopamine" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5534">A Dual-Functional and Efficient MOF-5@MWCNTs Electrochemical Sensing Device for the Measurement of Trace-Level Acetaminophenol and Dopamine</a> <div class="authors"> by <span class="inlineblock "><strong>Jianxia Gu</strong>, </span><span class="inlineblock "><strong>Shuting Lang</strong>, </span><span class="inlineblock "><strong>Zhanbin Jin</strong> and </span><span class="inlineblock "><strong>Tingting Wei</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5534; https://doi.org/10.3390/molecules29235534 (registering DOI) - 23 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> The design and construction of dual-functional and high-efficiency electrochemical sensors are necessary for quantitative detection. In this work, a zinc-based metal–organic framework (MOF-5) and multi-walled carbon nanotubes (MWCNTs) were combined in situ through a simple solvothermal reaction to obtain an MOF-5@MWCNTs composite. The <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5534/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> The design and construction of dual-functional and high-efficiency electrochemical sensors are necessary for quantitative detection. In this work, a zinc-based metal–organic framework (MOF-5) and multi-walled carbon nanotubes (MWCNTs) were combined in situ through a simple solvothermal reaction to obtain an MOF-5@MWCNTs composite. The composite exhibits a large surface area, hierarchical pore structure, excellent conductivity, and enhanced electrochemical performance in the detection of acetaminophenol (AP) and dopamine (DA). Remarkably, the synergistic effects between MOF-5 and MWCNTs enable the electrochemical sensor based on the MOF-5@MWCNTs composite to quantitatively determine AP and DA at trace levels. Under optimal conditions, the proposed sensor features relatively wide linear ranges of 0.005–600 μM and 0.1–60 μM for AP and DA, respectively, with very low detection limits (LODs) of 0.061 μM and 0.0075 μM for AP and DA. Importantly, this electrochemical sensor demonstrates excellent reproducibility, stability, and anti-interference ability, making it suitable for practical applications in the detection of AP and DA in urine and tap water samples with acceptable recoveries. The successful integration of MOF-5 with MWCNTs results in a robust and versatile electrochemical sensing platform for the rapid and reliable detection of AP and DA at trace levels. <a href="/1420-3049/29/23/5534">Full article</a> </div> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5534/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1527546"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1527546"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1527546" data-cycle-prev="#prev1527546" data-cycle-progressive="#images1527546" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1527546-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g001-550.jpg?1732334207" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1527546" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1527546-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g002-550.jpg?1732334209'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1527546-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g003-550.jpg?1732334211'><p>Figure 3</p></div> --- <div class='openpopupgallery' data-imgindex='3' data-target='article-1527546-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g004-550.jpg?1732334212'><p>Figure 4</p></div> --- <div class='openpopupgallery' data-imgindex='4' data-target='article-1527546-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g005-550.jpg?1732334213'><p>Figure 5</p></div> --- <div class='openpopupgallery' data-imgindex='5' data-target='article-1527546-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g006-550.jpg?1732334214'><p>Figure 6</p></div> --- <div class='openpopupgallery' data-imgindex='6' data-target='article-1527546-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g007-550.jpg?1732334215'><p>Figure 7</p></div> --- <div class='openpopupgallery' data-imgindex='7' data-target='article-1527546-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g008-550.jpg?1732334216'><p>Figure 8</p></div> --- <div class='openpopupgallery' data-imgindex='8' data-target='article-1527546-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g009-550.jpg?1732334218'><p>Figure 9</p></div></script></div></div><div id="article-1527546-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g001-550.jpg?1732334207" title=" <strong>Figure 1</strong><br/> <p>Specific synthesis process for the construction of dual-functional electrochemical sensor based on MOF-5@WMCNTs composite for AP and DA detection.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g002-550.jpg?1732334209" title=" <strong>Figure 2</strong><br/> <p>SEM and TEM images of MOF-5 (<b>a</b>,<b>b</b>), MWCNTs (<b>c</b>,<b>d</b>), and MOF-5@MWCNTs (<b>e</b>,<b>f</b>).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g003-550.jpg?1732334211" title=" <strong>Figure 3</strong><br/> <p>The characterization results of MOF-5, MWCNTs, and MOF-5@MWCNTs: (<b>a</b>) XRD patterns, (<b>b</b>) FT-IR, (<b>c</b>,<b>d</b>) XPS spectra.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g004-550.jpg?1732334212" title=" <strong>Figure 4</strong><br/> <p>CVs of AP (<b>a</b>) in 0.1 M PBS (pH = 7) and DA (<b>b</b>) in 0.1 M PBS (pH = 6) on GCE, MOF-5/GCE, MWCNTs/GCE and MOF-5@MWCNT/GCE.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g005-550.jpg?1732334213" title=" <strong>Figure 5</strong><br/> <p>CVs of (<b>a</b>) AP and (<b>d</b>) DA in PBS (0.1 M) with different pH on MOF-5@MWCNTs/GCE. Effect of pH on E<sub>p</sub> and I<sub>p</sub> for AP (<b>b</b>,<b>c</b>) and DA (<b>e</b>,<b>f</b>).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g006-550.jpg?1732334214" title=" <strong>Figure 6</strong><br/> <p>CVs of (<b>a</b>) AP and (<b>d</b>) DA in PBS (0.1 M) with different scan rates (10–200 mV s<sup>−1</sup>, different colored lines represent different scan speeds, and the CV curve is scanned for every 10 mV s<sup>−1</sup> increases in scan speed) on MOF-5@MWCNTs/GCE. Effect of scan rates on I<sub>p</sub> and E<sub>p</sub> for AP (<b>b</b>,<b>c</b>) and DA (<b>e</b>,<b>f</b>).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g007-550.jpg?1732334215" title=" <strong>Figure 7</strong><br/> <p>Mechanism governing the oxidation of AP and DA into NAPQI (N-Acetyl-P-Benzoquinone-imine) and DAQ (dopamine quinine).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g008-550.jpg?1732334216" title=" <strong>Figure 8</strong><br/> <p>DPV curves of AP (0.005–600 μM) (<b>a</b>) and DA (0.1–60 μM) (<b>b</b>) on MOF-5@MWCNTs/GCE. Linear curve for AP (<b>c</b>) and DA (<b>d</b>) concentrations of versus peak currents (<span class="html-italic">n</span> = 3, which is a multiple of noise). (<b>e</b>,<b>f</b>) Current responses of five parallel MOF-5@MWCNTs/GCE for the detection of AP and DA.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05534/article_deploy/html/images/molecules-29-05534-g009-550.jpg?1732334218" title=" <strong>Figure 9</strong><br/> <p>DPV responses of the added AP standard solution (5, 10, 50, 100 and 150 μM) in the urine (<b>a</b>) and tap water (<b>b</b>) samples and DA standard solution (5, 10, 50 μM) in the urine (<b>c</b>) and tap water (<b>d</b>) samples.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5534'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1527502" aria-controls="drop-supplementary-1527502" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1527502" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5533/s1?version=1732293357"> Supplementary File 1 (ZIP, 475 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 26 pages, 1059 KiB </span> <a href="/1420-3049/29/23/5533/pdf?version=1732293057" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Review of the Integrated Approaches for Monitoring and Treating Parabens in Water Matrices" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Review</span></div> <a class="title-link" href="/1420-3049/29/23/5533">Review of the Integrated Approaches for Monitoring and Treating Parabens in Water Matrices</a> <div class="authors"> by <span class="inlineblock "><strong>Denga Ramutshatsha-Makhwedzha</strong> and </span><span class="inlineblock "><strong>Tshimangadzo S. Munonde</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5533; <a href="https://doi.org/10.3390/molecules29235533">https://doi.org/10.3390/molecules29235533</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Due to their antibacterial and antifungal properties, parabens are commonly used as biocides and preservatives in food, cosmetics, and pharmaceuticals. Parabens have been reported to exist in various water matrices at low concentrations, which renders the need for sample preparation before their quantification <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5533/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Due to their antibacterial and antifungal properties, parabens are commonly used as biocides and preservatives in food, cosmetics, and pharmaceuticals. Parabens have been reported to exist in various water matrices at low concentrations, which renders the need for sample preparation before their quantification using analytical techniques. Thus, sample preparation methods such as solid-phase extraction (SPE), rotating-disk sorptive extraction (RDSE), and vortex-assisted dispersive liquid–liquid extraction (VA-DLLE) that are commonly used for parabens extraction and preconcentration have been discussed. As a result of sample preparation methods, analytical techniques now detect parabens at trace levels ranging from µg/L to ng/L. These compounds have been detected in water, air, soil, and human tissues. While the full impact of parabens on human health and ecosystems is still being debated in the scientific community, it is widely recognized that parabens can act as endocrine disruptors. Furthermore, some studies have suggested that parabens may have carcinogenic effects. The presence of parabens in the environment is primarily due to wastewater discharges, which result in widespread contamination and their concentrations increased during the COVID-19 pandemic waves. Neglecting the presence of parabens in water exposes humans to these compounds through contaminated food and drinking water. Although there are reviews that focus on the occurrence, fate, and behavior of parabens in the environment, they frequently overlook critical aspects such as removal methods, policy development, and regulatory frameworks. Addressing this gap, the effective treatment of parabens in water relies on combined approaches that address both cost and operational challenges. Membrane filtration methods, such as nanofiltration (NF) and reverse osmosis (RO), demonstrate high efficacy but are hindered by maintenance and energy costs due to extensive fouling. Innovations in anti-fouling and energy efficiency, coupled with pre-treatment methods like adsorption, help mitigate these costs and enhance scalability. Furthermore, combining adsorption with advanced oxidation processes (AOPs) or biological treatments significantly improves economic and energy efficiency. Integrating systems like O₃/UV with activated carbon, along with byproduct recovery strategies, further advances circular economy goals by minimizing waste and resource use. This review provides a thorough overview of paraben monitoring in wastewater, current treatment techniques, and the regulatory policies that govern their presence. Furthermore, it provides perspectives that are critical for future scientific investigations and shaping policies aimed at mitigating the risks of parabens in drinking water. <a href="/1420-3049/29/23/5533">Full article</a> </div> </div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1527460" aria-controls="drop-supplementary-1527460" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1527460" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5532/s1?version=1732290818"> Supplementary File 1 (ZIP, 477 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 16 pages, 1271 KiB </span> <a href="/1420-3049/29/23/5532/pdf?version=1732290817" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="The Biochar Derived from Pecan Shells for the Removal of Congo Red: The Effects of Temperature and Heating Rate" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5532">The Biochar Derived from Pecan Shells for the Removal of Congo Red: The Effects of Temperature and Heating Rate</a> <div class="authors"> by <span class="inlineblock "><strong>Wanqiang Xu</strong>, </span><span class="inlineblock "><strong>Bo Cai</strong>, </span><span class="inlineblock "><strong>Xujie Zhang</strong>, </span><span class="inlineblock "><strong>Yating Zhang</strong>, </span><span class="inlineblock "><strong>Yongjian Zhang</strong> and </span><span class="inlineblock "><strong>Hehuan Peng</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5532; <a href="https://doi.org/10.3390/molecules29235532">https://doi.org/10.3390/molecules29235532</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Organic pollutants, especially dyes, are seriously hazardous to the aquatic system and humans due to their toxicity, and carcinogenic or mutagenic properties. In this study, a biochar prepared from agricultural waste (pecan shells) via pyrolysis was applied to remove the dye pollutant Congo <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5532/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Organic pollutants, especially dyes, are seriously hazardous to the aquatic system and humans due to their toxicity, and carcinogenic or mutagenic properties. In this study, a biochar prepared from agricultural waste (pecan shells) via pyrolysis was applied to remove the dye pollutant Congo Red from wastewater to avoid a negative effect to the ecosystem. This study also investigated the effect of preparation conditions (temperature and heating rate) on the physicochemical properties and the adsorption performance of biochars. The physicochemical properties of the biochar were characterized using scanning electron microscopy, X-ray powder diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy. The adsorption performance of the biochar was evaluated for Congo Red removal. The results showed that biochar prepared at 800 °C with a heating rate of 20 °C/min (PSC-800-20) exhibited a higher specific surface area of 450.23 m<sup>2</sup>/g and a higher adsorption capacity for Congo Red (130.48 mg/g). Furthermore, adsorption experiments indicated that the pseudo-second-order and Langmuir models fitted well with the adsorption kinetics and isotherms of the biochar derived from pecan shells, respectively. Additionally, the PSC-800-20 biochar demonstrated a stable adsorption capacity over multiple cycles, suggesting its potential for regeneration and reuse in wastewater treatment applications. Therefore, the biochar derived from agricultural waste presents a promising and sustainable solution for the removal of toxic dye pollutants from wastewater. <a href="/1420-3049/29/23/5532">Full article</a> </div> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5532/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="absgraph cycle-slideshow"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1527460-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05532/article_deploy/molecules-29-05532-ag.jpg?1732290818" alt="" style="border: 0;"><p>Graphical abstract</p></div></div></div><div id="article-1527460-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05532/article_deploy/molecules-29-05532-ag.jpg?1732290818" title=" <strong>Graphical abstract</strong><br/><strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5532'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 26 pages, 822 KiB </span> <a href="/1420-3049/29/23/5531/pdf?version=1732287397" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Behavior of Silver Species in Soil: Ag Nanoparticles vs. Ionic Ag" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Review</span></div> <a class="title-link" href="/1420-3049/29/23/5531">Behavior of Silver Species in Soil: Ag Nanoparticles vs. Ionic Ag</a> <div class="authors"> by <span class="inlineblock "><strong>Joanna Kyziol-Komosinska</strong>, </span><span class="inlineblock "><strong>Agnieszka Dzieniszewska</strong> and </span><span class="inlineblock "><strong>Justyna Czupioł</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5531; <a href="https://doi.org/10.3390/molecules29235531">https://doi.org/10.3390/molecules29235531</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Silver nanoparticles are one of the most commonly used forms of silver (Ag) in nanotechnology applications due to their antibacterial properties and electrical and thermal resistance. The increasing production and use of products containing nanoparticles has led to their release into and contamination <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5531/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Silver nanoparticles are one of the most commonly used forms of silver (Ag) in nanotechnology applications due to their antibacterial properties and electrical and thermal resistance. The increasing production and use of products containing nanoparticles has led to their release into and contamination of soil and water. This review summarizes the literature on the fate, behavior (adsorption/desorption, precipitation/oxidative dissolution, transformation), and transport/mobility of Ag forms in soils (Ag<sup>+</sup> ions and Ag nanoparticles—AgNPs). The behavior of Ag<sup>+</sup>/AgNPs in soil is a complex process. It depends on many factors, including the characteristics of the Ag forms (ions, nanoparticle size, ligand type used for coating, surface charge, initial Ag concentration), the soil properties (organic matter and clay mineral content, textural properties, point of zero charge, cation exchange capacity, surface functional groups), and the solute properties (pH–Eh, ionic strength, cation type, oxygen content). The binding of Ag<sup>+</sup> and AgNPs is significantly positively correlated with Al/Fe/Mn oxide and SOM content and depends on the surface charge of the minerals and CEC, which controls adsorption processes. Very important parameters to consider are the pH and Eh of the solution, which determine the durability of the ligands, the aggregation rate and the oxidation process of AgNPs, as well as the presence of sulfide and chloride and the Cl/Ag ratio, which determine the stability/mobility of Ag. Since AgNPs can be oxidized to Ag<sup>+</sup> ions during their life cycle, it is necessary to consider the behavior of both forms of Ag in soils. Understanding the transport and behavior of Ag in soil is essential for the environmental risk assessment and management of wastes containing Ag. <a href="/1420-3049/29/23/5531">Full article</a> </div> </div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 19 pages, 380 KiB </span> <a href="/1420-3049/29/23/5530/pdf?version=1732286968" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Extraction of Bioactive Compounds and Influence of Storage Conditions of Raw Material Chamaenerion angustifolium (L.) Holub Using Different Strategies" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5530">Extraction of Bioactive Compounds and Influence of Storage Conditions of Raw Material <i>Chamaenerion angustifolium</i> (L.) Holub Using Different Strategies</a> <div class="authors"> by <span class="inlineblock "><strong>Domantas Armonavičius</strong>, </span><span class="inlineblock "><strong>Mantas Stankevičius</strong> and </span><span class="inlineblock "><strong>Audrius Maruška</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5530; <a href="https://doi.org/10.3390/molecules29235530">https://doi.org/10.3390/molecules29235530</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> The study evaluates different preparation methods for identifying the best strategy for extracting biologically active compounds from raw <i>Chamaenerion angustifolium</i> (L.) Holub plant material. The methodologies include direct aqueous methanol extraction with a combination of natural aerobic and anaerobic fermentation for 24–72 h, <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5530/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> The study evaluates different preparation methods for identifying the best strategy for extracting biologically active compounds from raw <i>Chamaenerion angustifolium</i> (L.) Holub plant material. The methodologies include direct aqueous methanol extraction with a combination of natural aerobic and anaerobic fermentation for 24–72 h, followed by 35 °C and 60 °C drying. Furthermore, the study also focuses on determining the different temperature storage conditions on the stability of biologically active compounds. UV-VIS spectroscopy was used to quantitatively evaluate the total content of phenolic compounds, flavonoids, and radical scavenging activity. For qualitative analysis, chromatographic separation with electrochemical detection (ED) of extracted compounds, a gradient high-performance liquid chromatography (HPLC) system was used. Study results indicate that 48 h natural aerobic fermentation followed by 35 °C drying and 75% (<i>v</i>/<i>v</i>) aqueous methanol extraction yielded the maximum amount of biologically active compounds in <i>Chamaenerion angustifolium</i> (L.) Holub leaves, blossom, and stem samples. Freezing samples in liquid nitrogen had the lowest impact on the total content of phenolic compounds, flavonoids, and radical scavenging activity. HPLC-ED system results identified chlorogenic acid, oenothein B, trans-p-Coumaric acid, ellagic acid, and rutin in<i> Chamaenerion angustifolium</i> (L.) Holub leave samples. <a href="/1420-3049/29/23/5530">Full article</a> </div> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5530/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="absgraph cycle-slideshow"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1527371-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05530/article_deploy/molecules-29-05530-ag.jpg?1732286968" alt="" style="border: 0;"><p>Graphical abstract</p></div></div></div><div id="article-1527371-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05530/article_deploy/molecules-29-05530-ag.jpg?1732286968" title=" <strong>Graphical abstract</strong><br/><strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5530'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1527308" aria-controls="drop-supplementary-1527308" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1527308" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5529/s1?version=1732285278"> Supplementary File 1 (ZIP, 9045 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 19 pages, 1678 KiB </span> <a href="/1420-3049/29/23/5529/pdf?version=1732285277" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Evaluation of Quinazolin-2,4-Dione Derivatives as Promising Antibacterial Agents: Synthesis, In Vitro, In Silico ADMET and Molecular Docking Approaches" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5529">Evaluation of Quinazolin-2,4-Dione Derivatives as Promising Antibacterial Agents: Synthesis, In Vitro, In Silico ADMET and Molecular Docking Approaches</a> <div class="authors"> by <span class="inlineblock "><strong>Aboubakr H. Abdelmonsef</strong>, </span><span class="inlineblock "><strong>Mohamed El-Naggar</strong>, </span><span class="inlineblock "><strong>Amal O. A. Ibrahim</strong>, </span><span class="inlineblock "><strong>Asmaa S. Abdelgeliel</strong>, </span><span class="inlineblock "><strong>Ihsan A. Shehadi</strong>, </span><span class="inlineblock "><strong>Ahmed M. Mosallam</strong> and </span><span class="inlineblock "><strong>Ahmed Khodairy</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5529; <a href="https://doi.org/10.3390/molecules29235529">https://doi.org/10.3390/molecules29235529</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> <b>Abstract</b><b>: </b>A series of new quinazolin-2,4-dione derivatives incorporating amide/eight-membered nitrogen-heterocycles <b>2a</b>–<b>c</b>, in addition, acylthiourea/amide/dithiolan-4-one and/or phenylthiazolidin-4-one <b>3a</b>–<b>d</b> and <b>4a</b>–<b>d</b>. The starting compound <b>1</b> was prepared by reaction of 4-(2,4-dioxo-1,4-dihydro-2<i>H</i>-quinazolin-3-yl)-benzoyl chloride with ammonium <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5529/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> <b>Abstract</b><b>: </b>A series of new quinazolin-2,4-dione derivatives incorporating amide/eight-membered nitrogen-heterocycles <b>2a</b>–<b>c</b>, in addition, acylthiourea/amide/dithiolan-4-one and/or phenylthiazolidin-4-one <b>3a</b>–<b>d</b> and <b>4a</b>–<b>d</b>. The starting compound <b>1</b> was prepared by reaction of 4-(2,4-dioxo-1,4-dihydro-2<i>H</i>-quinazolin-3-yl)-benzoyl chloride with ammonium thiocyanate and cyanoacetic acid hydrazide. The reaction of <b>1</b> with strong electrophiles, namely, <i>o</i>-aminophenol, <i>o</i>-amino thiophenol, and/or <i>o</i>-phenylene diamine, resulted in corresponding quinazolin-2,4-dione derivatives incorporating eight-membered nitrogen-heterocycles<b> 2a</b>–<b>d</b>. Compounds <b>3a</b>–<b>d </b>and<b> 4a</b>–<b>d</b> were synthesized in good-to-excellent yield through a one-pot multi-component reaction (MCR) of <b>1</b> with carbon disulfide and/or phenyl isocyanate under mild alkaline conditions, followed by ethyl chloroacetate, ethyl iodide, methyl iodide, and/or concentrated HCl, respectively. The obtained products were physicochemically characterized by melting points, elemental analysis, and spectroscopic techniques, such as FT-IR, <sup>1</sup>H-NMR, <sup>13</sup>C-NMR, and MS. The antibacterial efficacy of the obtained eleven molecules was examined in vitro against two Gram-positive bacterial strains (<i>Staphylococcus aureus</i> and <i>Staphylococcus</i> <i>haemolyticus</i>). Furthermore, Computer-Aided Drug Design (CADD) was performed on the synthesized derivatives, standard drug (Methotrexate), and reported antibacterial drug with the target enzymes of bacterial strains (<i>S. aureus</i> and <i>S. haemolyticus</i>) to explain their binding mode of actions. Notably, our findings highlight compounds <b>2b</b> and <b>2c</b> as showing both the best antibacterial activity and docking scores against the targets. Finally, according to ADMET predictions, compounds <b>2b</b> and <b>2c</b> possessed acceptable pharmacokinetics properties and drug-likeness properties. <a href="/1420-3049/29/23/5529">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Section <a href="/journal/molecules/sections/organic_chemistry">Organic Chemistry</a>)<br/> </div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 23 pages, 2873 KiB </span> <a href="/1420-3049/29/23/5528/pdf?version=1732283839" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Effect of Different Colours of Light on Chosen Aspects of Metabolism of Radish Sprouts with Phosphoromic Approach" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5528">Effect of Different Colours of Light on Chosen Aspects of Metabolism of Radish Sprouts with Phosphoromic Approach</a> <div class="authors"> by <span class="inlineblock "><strong>Anna Kafka</strong>, </span><span class="inlineblock "><strong>Jacek Lipok</strong>, </span><span class="inlineblock "><strong>Beata Żyszka-Haberecht</strong> and </span><span class="inlineblock "><strong>Dorota Wieczorek</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5528; <a href="https://doi.org/10.3390/molecules29235528">https://doi.org/10.3390/molecules29235528</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Among various environmental factors, light is a crucial parameter necessary for the germination of some seeds. Seed germination is an important phase in the plant life cycle, when metabolic activity is resumed and reserves are mobilized to support initial plant development. Although all <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5528/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Among various environmental factors, light is a crucial parameter necessary for the germination of some seeds. Seed germination is an important phase in the plant life cycle, when metabolic activity is resumed and reserves are mobilized to support initial plant development. Although all nutrients are extremely important for proper physiological and biochemical development of plants, phosphorus (P) seems to play a special role, as it is an essential component of all important structural and functional substances which compose the cells of plants. We believe that transformations of the forms of phosphorus accompanying metabolic activity of germinating seeds determine the efficiency of this process, and thus the seedling’s metabolic status. Therefore, we decided to study the changes in the major phosphorus-containing substances in radish sprouts during the first phase of growth. The effect of different colours of light on the quality parameters in radish, as a model plant, during germination, was evaluated. Contents of Pi, adenylates, antioxidants, pigments, phytase activity, and <sup>31</sup>P NMR phosphorus profile were investigated. Based on the results of our study, we may propose the phosphoromic approach as an important metabolic parameter determining the physiological status of the plant. <a href="/1420-3049/29/23/5528">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Section <a href="/journal/molecules/sections/applied-chemistry">Applied Chemistry</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5528/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1527280"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1527280"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1527280" data-cycle-prev="#prev1527280" data-cycle-progressive="#images1527280" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1527280-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g001-550.jpg?1732283944" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1527280" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1527280-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g002-550.jpg?1732283946'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1527280-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g003-550.jpg?1732283947'><p>Figure 3</p></div> --- <div class='openpopupgallery' data-imgindex='3' data-target='article-1527280-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g004-550.jpg?1732283948'><p>Figure 4</p></div> --- <div class='openpopupgallery' data-imgindex='4' data-target='article-1527280-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g005-550.jpg?1732283949'><p>Figure 5</p></div> --- <div class='openpopupgallery' data-imgindex='5' data-target='article-1527280-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g006-550.jpg?1732283951'><p>Figure 6</p></div></script></div></div><div id="article-1527280-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g001-550.jpg?1732283944" title=" <strong>Figure 1</strong><br/> <p>The effect of different colours of light on seed germination of radish sprouts. (<b>a</b>) The percentage of seed germination after treatment with different colours of light: white, red, blue, warm white, purple, and cold white. The values of the appropriate control cultures (white) were taken as 100%, “*” indicates statistically significant differences (<span class="html-italic">p</span> ≤ 0.05) in relation to the control; (<b>b</b>) the morphology of selected germinated radish seeds included the last phase of germination (2 DAT), when the appearance of the embryonic root was noticed, until the end of culture (4 DAT).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5528'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g002-550.jpg?1732283946" title=" <strong>Figure 2</strong><br/> <p>The average coefficient of Pi content (<b>A</b>), phytase activity (<b>B</b>) and protein content (<b>C</b>) in radish sprouts developing under tested light conditions. The corresponding control values were taken as 100%, ‘*’ indicates statistically significant differences (<span class="html-italic">p</span> ≤ 0.05) compared to the control (white).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5528'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g003-550.jpg?1732283947" title=" <strong>Figure 3</strong><br/> <p>Comparison of <sup>31</sup>P NMR spectra of radish sprouts (4 DAT) developing under white (control) conditions (<b>A</b>) and under cold white light (<b>B</b>). Measurements were carried out on samples at neutral pH (pH = 7); the coloured boxes surround the signals in the spectrum belonging to the different forms of P: P2—phosphodiesters; P3—phytates/orthophosphates; P4—other monoesters [3.7–6 ppm]).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5528'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g004-550.jpg?1732283948" title=" <strong>Figure 4</strong><br/> <p>The average coefficient of adenylates: AMP (A), ADP (B), and ATP (C) and AEC parameter (D) in radish sprouts cultivated under disparate light conditions. The corresponding control values were taken as 100%, ‘*’ indicates statistically significant differences (<span class="html-italic">p</span> ≤ 0.05) compared to the control (white).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5528'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g005-550.jpg?1732283949" title=" <strong>Figure 5</strong><br/> <p>Average coefficient of carotenoids (<b>A</b>) and total chlorophyll (<b>B</b>) content in radish sprouts developing under the light conditions tested. Values for the respective control cultures were taken as 100% in each case, ‘*’ denotes statistically significant differences (<span class="html-italic">p</span> ≤ 0.05) with respect to the control (white).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5528'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05528/article_deploy/html/images/molecules-29-05528-g006-550.jpg?1732283951" title=" <strong>Figure 6</strong><br/> <p>Average coefficient of antioxidant activity (<b>A</b>) and content of antioxidants (<b>B</b>), phenolic compounds (<b>C</b>), and flavonoids (<b>D</b>) in radish sprouts developing under the tested light conditions. Values for the respective control cultures were taken as 100% in each case, ‘*’ denotes statistically significant differences (<span class="html-italic">p</span> ≤ 0.05) with respect to the control (white).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5528'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 18 pages, 5118 KiB </span> <a href="/1420-3049/29/23/5527/pdf?version=1732283135" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Thermooxidation of Four Sartans: Kinetic Analysis Based on Thermo-Gravimetric Data" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5527">Thermooxidation of Four Sartans: Kinetic Analysis Based on Thermo-Gravimetric Data</a> <div class="authors"> by <span class="inlineblock "><strong>Adriana Ledeţi</strong>, </span><span class="inlineblock "><strong>Bianca Baul</strong>, </span><span class="inlineblock "><strong>Amalia Ridichie</strong>, </span><span class="inlineblock "><strong>Denisa Ivan</strong>, </span><span class="inlineblock "><strong>Titus Vlase</strong>, </span><span class="inlineblock "><strong>Carmen Tomoroga</strong>, </span><span class="inlineblock "><strong>Anca Dragomirescu</strong>, </span><span class="inlineblock "><strong>Gabriela Vlase</strong>, </span><span class="inlineblock "><strong>Răzvan Adrian Bertici</strong>, </span><span class="inlineblock "><strong>Dana Emilia Man</strong> and </span><span class="inlineblock "><strong>Ionuţ Ledeţi</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5527; <a href="https://doi.org/10.3390/molecules29235527">https://doi.org/10.3390/molecules29235527</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Angiotensin II receptor antagonists are tetrazole derivatives used in the treatment of high blood pressure, and are also indicated for the treatment of heart failure (NYHA class II-IV). They are used alone or in combination with other classes of antihypertensives or diuretics for <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5527/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Angiotensin II receptor antagonists are tetrazole derivatives used in the treatment of high blood pressure, and are also indicated for the treatment of heart failure (NYHA class II-IV). They are used alone or in combination with other classes of antihypertensives or diuretics for the effective management of high blood pressure. In this study, we aim to evaluate the thermal stability and degradation kinetics for the principal compounds used in therapy from this class, namely telmisartan, valsartan, olmesartan medoxomil, and losartan potassium. To obtain the thermoanalytical data for the kinetic investigations, the TG and DTG curves were registered at five different heating rates (β = 2, 4, 6, 8, and 10 °C min<sup>−1</sup>). The kinetic methods used were a preliminary ASTM E698 method and two isoconversional methods: Flynn–Wall–Ozawa and Friedman. For each molecule, the results showed complex decomposition processes consisting of complex reaction sequences. <a href="/1420-3049/29/23/5527">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Special Issue <a href=" /journal/molecules/special_issues/RZ61127PIB ">Advances in Pharmaceutical Analytical Technologies</a>)<br/> </div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1527363" aria-controls="drop-supplementary-1527363" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1527363" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5526/s1?version=1732293478"> Supplementary File 1 (ZIP, 9195 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 29 pages, 2199 KiB </span> <a href="/1420-3049/29/23/5526/pdf?version=1732294315" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Development of Naphthalene-Derivative Bis-QACs as Potent Antimicrobials: Unraveling Structure–Activity Relationship and Microbiological Properties" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5526">Development of Naphthalene-Derivative Bis-QACs as Potent Antimicrobials: Unraveling Structure–Activity Relationship and Microbiological Properties</a> <div class="authors"> by <span class="inlineblock "><strong>Nikita A. Frolov</strong>, </span><span class="inlineblock "><strong>Mary A. Seferyan</strong>, </span><span class="inlineblock "><strong>Elena V. Detusheva</strong>, </span><span class="inlineblock "><strong>Elizabeth Son</strong>, </span><span class="inlineblock "><strong>Ilya G. Kolmakov</strong>, </span><span class="inlineblock "><strong>Alena S. Kartseva</strong>, </span><span class="inlineblock "><strong>Victoria V. Firstova</strong>, </span><span class="inlineblock "><strong>Anatoly N. Vereshchagin</strong> and </span><span class="inlineblock "><strong>Michail N. Elinson</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5526; <a href="https://doi.org/10.3390/molecules29235526">https://doi.org/10.3390/molecules29235526</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> While the pandemic is behind us, the world community faces a global threat of bacterial resistance outbreak. One of the key ways to combat the spread of multi-resistant bacteria is infection prevention and control tactics using modern antiseptic and disinfectant compositions. Herein, we <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5526/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> While the pandemic is behind us, the world community faces a global threat of bacterial resistance outbreak. One of the key ways to combat the spread of multi-resistant bacteria is infection prevention and control tactics using modern antiseptic and disinfectant compositions. Herein, we continue the path to unravel the structure–activity relationship (SAR) of potent pyridine-derived biocide class bis-quaternary ammonium compounds (QACs). In this study, twenty dihydroxynaphthalene-derivative bis-QACs were subjected to extensive microbiological analysis on planktonic cells and biofilms of the ESKAPE microorganisms. Among them, hit compounds were superior in their bacteriostatic and bactericidal action to commercial mono-QACs and were comparable to the best bis-QAC antiseptic on the market. SAR analysis indicated that the linker conformation does not significantly affect the activity, though structure symmetry and especially lipophilicity had an influence on antibacterial performance. Furthermore, we delve deeper in investigation of the antimicrobial potential of bis-QACs and conducted a variety of assays, including time–kill kinetics, bacterial resistance formation, cell morphology, and cytotoxicity. Studies showed promising results for compounds 5d and 6d, indicating 2 to 3-fold less cytotoxicity and hemotoxicity compared to commercial QACs. Moreover, SEM imaging revealed that bis-QACs can cause severe membrane damage to <i>S. aureus </i>and <i>P. aeruginosa </i>strains, confirming great potential of novel compounds as antiseptic and disinfectant. <a href="/1420-3049/29/23/5526">Full article</a> </div> </div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 35 pages, 989 KiB </span> <a href="/1420-3049/29/23/5525/pdf?version=1732281298" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Diversity of Microglia-Derived Molecules with Neurotrophic Properties That Support Neurons in the Central Nervous System and Other Tissues" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Review</span></div> <a class="title-link" href="/1420-3049/29/23/5525">Diversity of Microglia-Derived Molecules with Neurotrophic Properties That Support Neurons in the Central Nervous System and Other Tissues</a> <div class="authors"> by <span class="inlineblock "><strong>Kennedy R. Wiens</strong>, </span><span class="inlineblock "><strong>Naved Wasti</strong>, </span><span class="inlineblock "><strong>Omar Orlando Ulloa</strong> and </span><span class="inlineblock "><strong>Andis Klegeris</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5525; <a href="https://doi.org/10.3390/molecules29235525">https://doi.org/10.3390/molecules29235525</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Microglia, the brain immune cells, support neurons by producing several established neurotrophic molecules including glial cell line-derived neurotrophic factor (GDNF) and brain-derived neurotrophic factor (BDNF). Modern analytical techniques have identified numerous phenotypic states of microglia, each associated with the secretion of a diverse <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5525/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Microglia, the brain immune cells, support neurons by producing several established neurotrophic molecules including glial cell line-derived neurotrophic factor (GDNF) and brain-derived neurotrophic factor (BDNF). Modern analytical techniques have identified numerous phenotypic states of microglia, each associated with the secretion of a diverse set of substances, which likely include not only canonical neurotrophic factors but also other less-studied molecules that can interact with neurons and provide trophic support. In this review, we consider the following eight such candidate cytokines: oncostatin M (OSM), leukemia inhibitory factor (LIF), activin A, colony-stimulating factor (CSF)-1, interleukin (IL)-34, growth/differentiation factor (GDF)-15, fibroblast growth factor (FGF)-2, and insulin-like growth factor (IGF)-2. The available literature provides sufficient evidence demonstrating murine cells produce these cytokines and that they exhibit neurotrophic activity in at least one neuronal model. Several distinct types of neurotrophic activity are identified that only partially overlap among the cytokines considered, reflecting either their distinct intrinsic properties or lack of comprehensive studies covering the full spectrum of neurotrophic effects. The scarcity of human-specific studies is another significant knowledge gap revealed by this review. Further studies on these potential microglia-derived neurotrophic factors are warranted since they may be used as targeted treatments for diverse neurological disorders. <a href="/1420-3049/29/23/5525">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Section <a href="/journal/molecules/sections/medicinal_chemistry">Medicinal Chemistry</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5525/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="absgraph cycle-slideshow"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1527206-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05525/article_deploy/html/images/molecules-29-05525-g001-550.jpg?1732281424" alt="" style="border: 0;"><p>Figure 1</p></div></div></div><div id="article-1527206-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05525/article_deploy/html/images/molecules-29-05525-g001-550.jpg?1732281424" title=" <strong>Figure 1</strong><br/> <p>Microglia-derived molecules with potential neurotrophic properties.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5525'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 18 pages, 2202 KiB </span> <a href="/1420-3049/29/23/5524/pdf?version=1732275818" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Osmotic Dehydration of Japanese Quince (Chaenomeles japonica) Fruits in Erythritol Solutions: Impact of Processing Conditions on the Kinetic Parameters and on Physicochemical and Antioxidant Properties of the Fruits" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5524">Osmotic Dehydration of Japanese Quince (<i>Chaenomeles japonica</i>) Fruits in Erythritol Solutions: Impact of Processing Conditions on the Kinetic Parameters and on Physicochemical and Antioxidant Properties of the Fruits</a> <div class="authors"> by <span class="inlineblock "><strong>Angelika Wojtyś</strong>, </span><span class="inlineblock "><strong>Sławomir Pietrzyk</strong>, </span><span class="inlineblock "><strong>Sylwia Bogacz</strong> and </span><span class="inlineblock "><strong>Robert Witkowicz</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5524; <a href="https://doi.org/10.3390/molecules29235524">https://doi.org/10.3390/molecules29235524</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> The present work aimed to evaluate the effectiveness of erythritol as an osmotic agent in the osmotic dehydration (OD) process of Japanese quince fruits and to assess its effects on their physicochemical and antioxidant properties. The efficiency of the OD process was determined <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5524/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> The present work aimed to evaluate the effectiveness of erythritol as an osmotic agent in the osmotic dehydration (OD) process of Japanese quince fruits and to assess its effects on their physicochemical and antioxidant properties. The efficiency of the OD process was determined by examining its kinetics and comparing the results to those from a sucrose solution. In selected osmotically dehydrated fruits, the following parameters were determined: dry matter content, total acidity, pH, sugar profile, color parameters, total phenolic and flavonoid content, antioxidant activity (DPPH and ABTS assays), and vitamin C content. Moreover, principal component analysis (PCA) was also performed. Generally, the OD process using a 40% erythritol solution demonstrated the most efficient kinetics among all osmotic agents tested; however, fruits dehydrated in this solution also showed the most significant changes in physicochemical and antioxidant properties compared to fresh fruits. Remarkably, Japanese quince fruits dehydrated in a 30% erythritol solution exhibited higher levels of total phenolic, flavonoid, vitamin C, and antioxidant activity than those treated with a 50% sucrose solution, despite displaying similar dehydration kinetics. The use of erythritol solutions also led to a decrease in sugar content. In turn, PCA analysis confirmed a correlation between pH values and the L* color parameter, with the highest L* value observed in fruits dehydrated with the sucrose solution. Thus, erythritol may be utilized as a low-calorie alternative to sucrose as an osmotic agent while simultaneously minimizing the loss of antioxidant compounds. <a href="/1420-3049/29/23/5524">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Section <a href="/journal/molecules/sections/food_chemistry">Food Chemistry</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5524/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1527109"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1527109"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1527109" data-cycle-prev="#prev1527109" data-cycle-progressive="#images1527109" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1527109-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05524/article_deploy/html/images/molecules-29-05524-g001-550.jpg?1732275967" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1527109" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1527109-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05524/article_deploy/html/images/molecules-29-05524-g002-550.jpg?1732275970'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1527109-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05524/article_deploy/html/images/molecules-29-05524-g003-550.jpg?1732275972'><p>Figure 3</p></div> --- <div class='openpopupgallery' data-imgindex='3' data-target='article-1527109-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05524/article_deploy/html/images/molecules-29-05524-g004-550.jpg?1732275976'><p>Figure 4</p></div></script></div></div><div id="article-1527109-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05524/article_deploy/html/images/molecules-29-05524-g001-550.jpg?1732275967" title=" <strong>Figure 1</strong><br/> <p>Water loss [g H<sub>2</sub>O/g i.d.m.] during OD process of Japanese quince fruits as a result of interaction of experimental factors: (<b>A</b>)—temperature × type of osmotic solution, (<b>B</b>)—time × type of osmotic solution, (<b>C</b>)—time × temperature.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5524'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05524/article_deploy/html/images/molecules-29-05524-g002-550.jpg?1732275970" title=" <strong>Figure 2</strong><br/> <p>Mass loss [%] during OD process of Japanese quince fruits as a result of interaction of experimental factors: (<b>A</b>)—temperature × type of osmotic solution, (<b>B</b>)—time × type of osmotic solution, (<b>C</b>)—time × temperature.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5524'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05524/article_deploy/html/images/molecules-29-05524-g003-550.jpg?1732275972" title=" <strong>Figure 3</strong><br/> <p>Solids gain [g d.m./g i.d.m] during OD process of Japanese quince fruits as a result of interaction of experimental factors: (<b>A</b>)—temperature × type of osmotic solution, (<b>B</b>)—time × type of osmotic solution, (<b>C</b>)—time × temperature.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5524'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05524/article_deploy/html/images/molecules-29-05524-g004-550.jpg?1732275976" title=" <strong>Figure 4</strong><br/> <p>Biplot based on first two principal component axes for nutritional value of osmotically dehydrated fruits (<b>A</b>) and distribution of osmotic dehydration method based on the first two components obtained from principal component analysis (<b>B</b>).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5524'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 3 pages, 179 KiB </span> <a href="/1420-3049/29/23/5523/pdf?version=1732271296" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Organosulfur and Organoselenium Chemistry" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Editorial</span></div> <a class="title-link" href="/1420-3049/29/23/5523">Organosulfur and Organoselenium Chemistry</a> <div class="authors"> by <span class="inlineblock "><strong>Ming Wang</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5523; <a href="https://doi.org/10.3390/molecules29235523">https://doi.org/10.3390/molecules29235523</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-full inline"> Organosulfur- and organoselenium-containing compounds play a crucial role in organic synthesis [...] <a href="/1420-3049/29/23/5523">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Special Issue <a href=" /journal/molecules/special_issues/T6GKHGO88U ">Organosulfur and Organoselenium Chemistry</a>)<br/> </div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 16 pages, 4694 KiB </span> <a href="/1420-3049/29/23/5522/pdf?version=1732268115" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Effects of Ethylene Propylene Diene Monomer (EPDM)-Based Polar Macromolecular Compatibilizers on the Low-Temperature Properties of Fluoroelastomer/EPDM Rubber Blends" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5522">Effects of Ethylene Propylene Diene Monomer (EPDM)-Based Polar Macromolecular Compatibilizers on the Low-Temperature Properties of Fluoroelastomer/EPDM Rubber Blends</a> <div class="authors"> by <span class="inlineblock "><strong>Gen Liu</strong>, </span><span class="inlineblock "><strong>Faxin Du</strong>, </span><span class="inlineblock "><strong>Zhangjun Yao</strong>, </span><span class="inlineblock "><strong>Guangzhao Li</strong>, </span><span class="inlineblock "><strong>Wen Kuang</strong>, </span><span class="inlineblock "><strong>Chongyu Zhu</strong>, </span><span class="inlineblock "><strong>Yi Liu</strong>, </span><span class="inlineblock "><strong>Honglin Chen</strong>, </span><span class="inlineblock "><strong>Fumei Wang</strong>, </span><span class="inlineblock "><strong>Ce Zhou</strong>, </span><span class="inlineblock "><strong>Xueli Wei</strong>, </span><span class="inlineblock "><strong>Wenyan Wang</strong> and </span><span class="inlineblock "><strong>Rui Han</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5522; <a href="https://doi.org/10.3390/molecules29235522">https://doi.org/10.3390/molecules29235522</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Integrating rubber with superior low-temperature capabilities, such as ethylene propylene diene monomer (EPDM), is a strategic approach to bolster the low-temperature performance of fluoroelastomer (FKM). However, FKM and EPDM are thermodynamically incompatible. This work synthetized three EPDM-based polar macromolecular compatibilizers, epoxidized EPDM (EPDM-EP), <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5522/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Integrating rubber with superior low-temperature capabilities, such as ethylene propylene diene monomer (EPDM), is a strategic approach to bolster the low-temperature performance of fluoroelastomer (FKM). However, FKM and EPDM are thermodynamically incompatible. This work synthetized three EPDM-based polar macromolecular compatibilizers, epoxidized EPDM (EPDM-EP), 2,2-trifluoroethylamine-grafted epoxidized EPDM (EPDM-TF), and 2,4-difluorobenzylamine-grafted epoxidized EPDM (EPDM-DF), to enhance the compatibility between FKM and EPDM. These compatibilizers were subsequently incorporated into FKM/EPDM rubber blends. The results revealed that the glass transition temperature (T<sub>g</sub>) of FKM/EPDM decreased by 1.3 °C, 2.68 °C, and 2.78 °C, respectively, upon the addition of 10 phr of EPDM-EP, EPDM-TF, or EPDM-DF. Moreover, the T<sub>g</sub> of the two phases converged. The tensile strength, elongation at break, and tear strength of the FKM/EPDM rubber blends were also enhanced by the inclusion of these compatibilizers. Notably, EPDM-TF and EPDM-DF exhibited remarkable compatibilization effects due to an increase in polarity. This research not only sheds light on the potential for developing new compatibilizers but also paves the way for innovative applications of FKM and its derivatives. <a href="/1420-3049/29/23/5522">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Section <a href="/journal/molecules/sections/macromolecular_chemistry">Macromolecular Chemistry</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5522/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1526908"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1526908"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1526908" data-cycle-prev="#prev1526908" data-cycle-progressive="#images1526908" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1526908-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g001-550.jpg?1732268207" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1526908" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g002-550.jpg?1732268209'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g003-550.jpg?1732268214'><p>Figure 3</p></div> --- <div class='openpopupgallery' data-imgindex='3' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g004-550.jpg?1732268216'><p>Figure 4</p></div> --- <div class='openpopupgallery' data-imgindex='4' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g005-550.jpg?1732268218'><p>Figure 5</p></div> --- <div class='openpopupgallery' data-imgindex='5' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g006-550.jpg?1732268220'><p>Figure 6</p></div> --- <div class='openpopupgallery' data-imgindex='6' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g007-550.jpg?1732268221'><p>Figure 7</p></div> --- <div class='openpopupgallery' data-imgindex='7' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g008-550.jpg?1732268222'><p>Figure 8</p></div> --- <div class='openpopupgallery' data-imgindex='8' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g009-550.jpg?1732268223'><p>Figure 9</p></div> --- <div class='openpopupgallery' data-imgindex='9' data-target='article-1526908-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g010-550.jpg?1732268224'><p>Figure 10</p></div></script></div></div><div id="article-1526908-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g001-550.jpg?1732268207" title=" <strong>Figure 1</strong><br/> <p>Comparison of infrared spectra of EPDM and spectra after modification; (<b>a</b>) infrared spectra comparison images of EPDM, EPDM-EP, EPDM-TF, and EPDM-DF; (<b>b</b>) enlarged image at 750–1600 cm<sup>−1</sup>; (<b>c</b>) enlarged image at 3050–3500 cm<sup>−1</sup>.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g002-550.jpg?1732268209" title=" <strong>Figure 2</strong><br/> <p>H-NMR images of EPDM and its modified compounds (<b>a</b>) EPDM; (<b>b</b>) EPDM-EP; (<b>c</b>) EPDM-TF; (<b>d</b>) EPDM-DF. Red dots in (<b>a</b>,<b>b</b>) indicate the hydrogen atoms corresponding to the peaks in the partially enlarged images. The red circle shows the position of the enlarged area within the wider spectrum.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g003-550.jpg?1732268214" title=" <strong>Figure 3</strong><br/> <p>Cross-section SEM micrographs of FKM (<b>a</b>); EPDM (<b>b</b>); F/E (<b>c</b>); F/E/EPDM-EPy, y = 2, 4, 6, 8, 10 phr (<b>d</b>–<b>h</b>); F/E/EPDM-TFy, y = 2, 4, 6, 8, 10 phr (<b>i</b>–<b>m</b>); and F/E/EPDM-DFy, y = 2, 4, 6, 8, 10 phr (<b>n</b>–<b>r</b>).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g004-550.jpg?1732268216" title=" <strong>Figure 4</strong><br/> <p>DSC curves of FKM/EPDM rubber blends incorporating EPDM-EPy (<b>a</b>); EPDM-TFy (<b>c</b>); and EPDM-DFy (<b>e</b>); respectively, y = 2, 4, 6, 8, 10 phr. Additionally, the variation in T<sub>g</sub> of rubber blends with respect to EPDM-EP (<b>b</b>), EPDM-TF (<b>d</b>), or EPDM-DF (<b>f</b>) content. The arrow points to its corresponding vertical axis.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g005-550.jpg?1732268218" title=" <strong>Figure 5</strong><br/> <p>Storage modulus (<b>a</b>), loss modulus (<b>b</b>), and tan δ (<b>c</b>) of FKM, EPDM, F/E, F/E/EPDM-EP4, and F/E/EPDM-EP10; storage modulus (<b>d</b>), loss modulus (<b>e</b>), and tan δ (<b>f</b>) of FKM, EPDM, F/E, F/E/EPDM-TF4, and F/E/EPDM-TF10; storage modulus (<b>g</b>), loss modulus (<b>h</b>), and tan δ (<b>i</b>) of FKM, EPDM, F/E, F/E/EPDM-DF4, and F/E/EPDM-DF10.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g006-550.jpg?1732268220" title=" <strong>Figure 6</strong><br/> <p>The influence of varying concentrations of EPDM-EP, EPDM-TF, and EPDM-DF on the tensile strength (<b>a</b>) and elongation at break (<b>b</b>) of rubber materials.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g007-550.jpg?1732268221" title=" <strong>Figure 7</strong><br/> <p>The effect of variation of EPDM-EP, EPDM-TF, and EPDM-DF on the tear strength of FKM/EPDM rubber blends.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g008-550.jpg?1732268222" title=" <strong>Figure 8</strong><br/> <p>The effect of variation of EPDM-EP, EPDM-TF, and EPDM-DF on the compression set of FKM/EPDM rubber blends.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g009-550.jpg?1732268223" title=" <strong>Figure 9</strong><br/> <p>The effect of variation of EPDM-EP, EPDM-TF, and EPDM-DF on the hardness of FKM/EPDM rubber blends.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05522/article_deploy/html/images/molecules-29-05522-g010-550.jpg?1732268224" title=" <strong>Figure 10</strong><br/> <p>Schematic diagram of the EPDM epoxy modification reaction (<b>a</b>) and TF (<b>b</b>)/DF (<b>c</b>) grafted onto EPDM-EP.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5522'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1526891" aria-controls="drop-supplementary-1526891" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1526891" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5521/s1?version=1732267690"> Supplementary File 1 (ZIP, 1299 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 15 pages, 4411 KiB </span> <a href="/1420-3049/29/23/5521/pdf?version=1732267690" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Spectroscopic and Quantum Chemical Evidence of Amine–CO2 and Alcohol–CO2 Interactions: Confirming an Intriguing Affinity of CO2 to Monoethanolamine (MEA)" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5521">Spectroscopic and Quantum Chemical Evidence of Amine–CO<sub>2</sub> and Alcohol–CO<sub>2</sub> Interactions: Confirming an Intriguing Affinity of CO<sub>2</sub> to Monoethanolamine (MEA)</a> <div class="authors"> by <span class="inlineblock "><strong>Sahar Hafizi Yazdabadi</strong>, </span><span class="inlineblock "><strong>Dmytro Mihrin</strong>, </span><span class="inlineblock "><strong>Karen Louise Feilberg</strong> and </span><span class="inlineblock "><strong>René Wugt Larsen</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5521; <a href="https://doi.org/10.3390/molecules29235521">https://doi.org/10.3390/molecules29235521</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> A recent broadband rotational spectroscopic investigation of the cross-association mechanisms of CO<sub>2</sub> with monoethanolamine (MEA) in molecular beams [F. Xie et al., <i>Angew. Chem. Int. Ed.</i>, <b>2023</b>, <i>62</i>, e202218539] revealed an intriguing affinity of CO<sub>2</sub> to the hydroxy <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5521/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> A recent broadband rotational spectroscopic investigation of the cross-association mechanisms of CO<sub>2</sub> with monoethanolamine (MEA) in molecular beams [F. Xie et al., <i>Angew. Chem. Int. Ed.</i>, <b>2023</b>, <i>62</i>, e202218539] revealed an intriguing affinity of CO<sub>2</sub> to the hydroxy group. These findings have triggered the present systematic vibrational spectroscopic exploration of weakly bound amine··CO<sub>2</sub> and alcohol··CO<sub>2</sub> van der Waals cluster molecules embedded in inert “quantum” matrices of neon at 4.2 K complemented by high-level quantum chemical conformational analyses. The non-covalent interactions formed between the amino and hydroxy groups and the electron-deficient carbon atom of CO<sub>2</sub> are demonstrated to lift the degeneracy of the doubly degenerate intramolecular CO<sub>2</sub>-bending fundamental significantly with characteristic observed spectral splittings for the amine··CO<sub>2</sub> (≈35–45 cm<sup>−1</sup>) and alcohol··CO<sub>2</sub> (≈20–25 cm<sup>−1</sup>) interactions, respectively, despite the almost identically predicted total association energies (≈12–14 kJ·mol<sup>−1</sup>) for these van der Waals contacts, as revealed by benchmark Domain-based Local Pair Natural Orbital Coupled Cluster DLPNO-CCSD(T) theory. These high-level theoretical predictions reveal significantly higher “geometry preparation energies” for the amine··CO<sub>2</sub> systems leading to a more severe distortion of the CO<sub>2</sub> linearity upon complexation in agreement with the infrared spectroscopic findings. The systematic combined spectroscopic and quantum chemical evidences for cross-association between CO<sub>2</sub> and amines/alcohols in the present work unambiguously confirm an intriguing binding preference of CO<sub>2</sub> to the hydroxy group of the important carbon capture agent MEA, with an accurate vibrational zero-point energy corrected association energy (<i>D</i><sub>0</sub>) of 13.5 kJ·mol<sup>−1</sup> at the benchmark DLPNO-CCSD(T)/aug-cc-pV5Z level of theory. <a href="/1420-3049/29/23/5521">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Special Issue <a href=" /journal/molecules/special_issues/B924ELOH24 ">Molecular Spectroscopy in Applied Chemistry</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5521/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1526891"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1526891"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1526891" data-cycle-prev="#prev1526891" data-cycle-progressive="#images1526891" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1526891-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g001-550.jpg?1732267811" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1526891" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1526891-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g002-550.jpg?1732267812'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1526891-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g003-550.jpg?1732267813'><p>Figure 3</p></div> --- <div class='openpopupgallery' data-imgindex='3' data-target='article-1526891-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g004-550.jpg?1732267813'><p>Figure 4</p></div> --- <div class='openpopupgallery' data-imgindex='4' data-target='article-1526891-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g005-550.jpg?1732267814'><p>Figure 5</p></div></script></div></div><div id="article-1526891-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g001-550.jpg?1732267811" title=" <strong>Figure 1</strong><br/> <p>The mid- and far-infrared absorption spectra collected for a MEA/CO<sub>2</sub> mixture (red trace) and pure MEA (blue trace) embedded in neon at 4.2 K for selected spectral intervals with observed fundamental transitions associated with O-H stretching, CO<sub>2</sub> bending and large-amplitude OH torsional motion together with proposed vibrational assignments given for the binary 1:1 MEA·· CO<sub>2</sub> van der Waals complex.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5521'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g002-550.jpg?1732267812" title=" <strong>Figure 2</strong><br/> <p>The infrared absorption spectra in the CO<sub>2</sub>-bending region (635–680 cm<sup>−1</sup>) collected for neon “quantum matrices” at 4.2 K doped with mixtures of CO<sub>2</sub> and methylamine, ethylamine, methanol, and ethanol, and monoethanolamine. The assignments of the red-shifted in-plane (<math display="inline"><semantics> <msub> <mover accent="true"> <mi>ν</mi> <mo>˜</mo> </mover> <mrow> <mi>i</mi> <mi>p</mi> </mrow> </msub> </semantics></math>) and blue-shifted out-of-plane (<math display="inline"><semantics> <msub> <mover accent="true"> <mi>ν</mi> <mo>˜</mo> </mover> <mrow> <mi>o</mi> <mi>o</mi> <mi>p</mi> </mrow> </msub> </semantics></math>) components of the CO<sub>2</sub>-bending transition for the binary weakly bound 1:1 van der Waals complexes are indicated together with the absorption from the monomeric bending transition of natural abundant <sup>13</sup>CO<sub>2</sub> at 649 cm<sup>−1</sup> [<a href="#B45-molecules-29-05521" class="html-bibr">45</a>]. The narrow region of the strongly saturated absorption from the bending transition of regular monomeric CO<sub>2</sub> at 668 cm<sup>−1</sup> [<a href="#B45-molecules-29-05521" class="html-bibr">45</a>] has been omitted for clarity.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5521'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g003-550.jpg?1732267813" title=" <strong>Figure 3</strong><br/> <p>The infrared absorption spectra in the CO<sub>2</sub>-bending region (620–680 cm<sup>−1</sup>) collected for neon “quantum matrices” at 4.2 K doped with mixtures of CO<sub>2</sub> with monoethanolamine (MEA), ammonia, methylamine (MA), dimethylamine (DMA), and trimethylamine (TMA). The assignments of the red-shifted in-plane (<math display="inline"><semantics> <msub> <mover accent="true"> <mi>ν</mi> <mo>˜</mo> </mover> <mrow> <mi>i</mi> <mi>p</mi> </mrow> </msub> </semantics></math>) and blue-shifted out-of-plane (<math display="inline"><semantics> <msub> <mover accent="true"> <mi>ν</mi> <mo>˜</mo> </mover> <mrow> <mi>o</mi> <mi>o</mi> <mi>p</mi> </mrow> </msub> </semantics></math>) components of the CO<sub>2</sub> bending transition for the binary weakly bound 1:1 van der Waals complexes are indicated together with the absorption from the monomeric bending transition of natural abundant <sup>13</sup>CO<sub>2</sub> at 649 cm<sup>−1</sup> [<a href="#B45-molecules-29-05521" class="html-bibr">45</a>]. The narrow region of the strongly saturated absorption from the bending transition of regular monomeric CO<sub>2</sub> at 668 cm<sup>−1</sup> [<a href="#B45-molecules-29-05521" class="html-bibr">45</a>] has been omitted for clarity.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5521'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g004-550.jpg?1732267813" title=" <strong>Figure 4</strong><br/> <p>The most stable conformation for the binary MEA··CO<sub>2</sub> van der Waals complex as reported in Ref. [<a href="#B34-molecules-29-05521" class="html-bibr">34</a>] and re-optimised at the RI-MP2/aug-cc-pVQZ level of theory.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5521'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05521/article_deploy/html/images/molecules-29-05521-g005-550.jpg?1732267814" title=" <strong>Figure 5</strong><br/> <p>Visualisation of the two components of the CO<sub>2</sub>-bending fundamental for the most stable conformation of the binary 1:1 MEA··CO<sub>2</sub> van der Waals complex. (<b>a</b>) in-line with the lone pair-donating atom (in-plane, red-shifted from CO<sub>2</sub> monomer) experimentally observed at 650 cm<sup>−1</sup> (<b>b</b>) perpendicular (out-of-plane, blue-shifted from CO<sub>2</sub> monomer) experimentally observed at 673 cm<sup>−1</sup>.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5521'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 16 pages, 1275 KiB </span> <a href="/1420-3049/29/23/5520/pdf?version=1732266945" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Silver Nanoparticles as a Potent Nanopesticide: Toxic Effects and Action Mechanisms on Pest Insects of Agricultural Importance—A Review" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Review</span></div> <a class="title-link" href="/1420-3049/29/23/5520">Silver Nanoparticles as a Potent Nanopesticide: Toxic Effects and Action Mechanisms on Pest Insects of Agricultural Importance—A Review</a> <div class="authors"> by <span class="inlineblock "><strong>Daniel Martínez-Cisterna</strong>, </span><span class="inlineblock "><strong>Olga Rubilar</strong>, </span><span class="inlineblock "><strong>Gonzalo Tortella</strong>, </span><span class="inlineblock "><strong>Lingyun Chen</strong>, </span><span class="inlineblock "><strong>Manuel Chacón-Fuentes</strong>, </span><span class="inlineblock "><strong>Marcelo Lizama</strong>, </span><span class="inlineblock "><strong>Pablo Parra</strong> and </span><span class="inlineblock "><strong>Leonardo Bardehle</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5520; <a href="https://doi.org/10.3390/molecules29235520">https://doi.org/10.3390/molecules29235520</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Nanotechnology has been a promising plant protection discipline in recent years, attributed to the unique physicochemical properties exhibited at the nanoscale. In this context, silver nanoparticles (AgNPs) have been effective in various applications, including medical, industrial, and agronomic, and during the last few <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5520/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Nanotechnology has been a promising plant protection discipline in recent years, attributed to the unique physicochemical properties exhibited at the nanoscale. In this context, silver nanoparticles (AgNPs) have been effective in various applications, including medical, industrial, and agronomic, and during the last few years, the control of insect pests has raised great interest. The present review mainly provides updated information about the use of AgNPs elaborated by different synthesis methods, such as biological (plants, microorganisms), physical, and chemical, and their effect against various insect species of agricultural importance belonging to the order Diptera, Coleoptera, Lepidoptera, and Hemiptera. The physiological and toxic effects of applying AgNPs are reported and characterized by developmental problems, mortality, weight reduction, interference with enzymatic activity, and anomalies in the life cycle. Moreover, in the final section, the action mechanisms through which AgNPs act on insects are also discussed, highlighting mechanisms such as alteration of transmembrane permeability, interruption of DNA replication, alteration of protein synthesis, and production of reactive oxygen species (ROS). <a href="/1420-3049/29/23/5520">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Special Issue <a href=" /journal/molecules/special_issues/L5FBU6S945 ">Natural Products as Insecticidal Agents</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5520/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1526861"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1526861"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1526861" data-cycle-prev="#prev1526861" data-cycle-progressive="#images1526861" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1526861-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05520/article_deploy/html/images/molecules-29-05520-g001-550.jpg?1732267058" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1526861" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1526861-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05520/article_deploy/html/images/molecules-29-05520-g002-550.jpg?1732267061'><p>Figure 2</p></div></script></div></div><div id="article-1526861-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05520/article_deploy/html/images/molecules-29-05520-g001-550.jpg?1732267058" title=" <strong>Figure 1</strong><br/> <p>Main toxicity effects of AgNPs against agricultural insect pests. GST: glutatión-S-Transferase; CAT: Catalase; SOD: Super Oxide Dismutase; HSP70: Heat shock protein; CuZnSOD: Copper Super Oxide Dismutase Zinc; DA: Dopamine; OA: Octopamine.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5520'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05520/article_deploy/html/images/molecules-29-05520-g002-550.jpg?1732267061" title=" <strong>Figure 2</strong><br/> <p>Action mechanisms of AgNPs toxicity. (1) AgNPs cause direct damage to cell membranes, compromising cellular integrity; (2) AgNPs disrupt ATP production, interfering with DNA replication and cellular metabolism; and (3) AgNPs exposure alters protein synthesis and triggers the production of reactive oxygen species (ROS) as a response to cellular toxicity. These mechanisms collectively contribute to the cytotoxic effects of AgNPs. GST: Glutathione S-Transferase; CAT: Catalase; SOD: Super Oxide Dismutase.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5520'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 19 pages, 1632 KiB </span> <a href="/1420-3049/29/23/5519/pdf?version=1732265974" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="New Conjugates of Vancomycin with Cell-Penetrating Peptides—Synthesis, Antimicrobial Activity, Cytotoxicity, and BBB Permeability Studies" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5519">New Conjugates of Vancomycin with Cell-Penetrating Peptides—Synthesis, Antimicrobial Activity, Cytotoxicity, and BBB Permeability Studies</a> <div class="authors"> by <span class="inlineblock "><strong>Jarosław Ruczyński</strong>, </span><span class="inlineblock "><strong>Katarzyna Prochera</strong>, </span><span class="inlineblock "><strong>Natalia Kaźmierczak</strong>, </span><span class="inlineblock "><strong>Katarzyna Kosznik-Kwaśnicka</strong>, </span><span class="inlineblock "><strong>Lidia Piechowicz</strong>, </span><span class="inlineblock "><strong>Piotr Mucha</strong> and </span><span class="inlineblock "><strong>Piotr Rekowski</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5519; <a href="https://doi.org/10.3390/molecules29235519">https://doi.org/10.3390/molecules29235519</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Vancomycin (Van) is a glycopeptide antibiotic commonly used as a last resort for treating life-threatening infections caused by multidrug-resistant bacterial strains, such as <i>Staphylococcus aureus</i> and <i>Enterococcus</i> spp. However, its effectiveness is currently limited due to the rapidly increasing number of drug-resistant clinical <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5519/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Vancomycin (Van) is a glycopeptide antibiotic commonly used as a last resort for treating life-threatening infections caused by multidrug-resistant bacterial strains, such as <i>Staphylococcus aureus</i> and <i>Enterococcus</i> spp. However, its effectiveness is currently limited due to the rapidly increasing number of drug-resistant clinical strains and its inherent cytotoxicity and poor penetration into cells and specific regions of the body, such as the brain. One of the most promising strategies to enhance its efficacy appears to be the covalent attachment of cell-penetrating peptides (CPPs) to the Van structure. In this study, a series of vancomycin conjugates with CPPs—such as TP10, Tat (47–57), PTD4, and Arg<sub>9</sub>—were designed and synthesized. These conjugates were tested for antimicrobial activity against four reference strains (<i>Staphylococcus aureus</i>, <i>Enterococcus faecalis</i>, <i>Escherichia coli</i>, and <i>Pseudomonas aeruginosa</i>) and two clinical drug-resistant strains: methicillin-resistant <i>S. aureus</i> and vancomycin-resistant <i>E. faecium</i>. In addition, cytotoxicity tests (using a human fibroblast cell line) and blood–brain barrier (BBB) permeability tests (using a parallel artificial membrane permeability assay—PAMPA-BBB assay) were conducted for selected compounds. Our research demonstrated that conjugation of Van with CPPs, particularly with Tat (47–57), Arg<sub>9</sub>, or TP10, significantly enhances its antimicrobial activity against Gram-positive bacteria such as <i>S. aureus</i> and <i>Enterococcus</i> spp., reduces its cytotoxicity, and improves its access to brain tissues. We conclude that these findings provide a strong foundation for the design of novel antimicrobial agents effective in treating infections caused by drug-resistant staphylococcal and enterococcal strains, while also being capable of crossing the BBB. <a href="/1420-3049/29/23/5519">Full article</a> </div> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Special Issue <a href=" /journal/molecules/special_issues/BRZP778503 ">Chemical Biology of Antimicrobial Resistance, 2nd Edition</a>)<br/> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5519/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1526823"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1526823"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1526823" data-cycle-prev="#prev1526823" data-cycle-progressive="#images1526823" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1526823-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05519/article_deploy/html/images/molecules-29-05519-g001-550.jpg?1732266101" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1526823" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1526823-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05519/article_deploy/html/images/molecules-29-05519-g002-550.jpg?1732266106'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1526823-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05519/article_deploy/html/images/molecules-29-05519-g003-550.jpg?1732266109'><p>Figure 3</p></div></script></div></div><div id="article-1526823-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05519/article_deploy/html/images/molecules-29-05519-g001-550.jpg?1732266101" title=" <strong>Figure 1</strong><br/> <p>Schematic illustration of the chemical structure of the synthesized Van-CPP conjugates, where <span class="html-italic">V</span><sub>V</sub> is the primary amino position in the carbohydrate moiety of vancomycin (green circle, position of PEG<sub>4</sub> or Suc-Cystamine linker attachment), <span class="html-italic">V</span><sub>C</sub> is the <span class="html-italic">C</span>-terminal carboxylic position of vancomycin (orange circle, position of PEG<sub>3</sub> or Cystamine linker attachment), PEG<sub>4</sub> is 4,7,10,13-tetraoxopentadecane-1-caboxylate, PEG<sub>3</sub> is 1-amino-3,6,9-trioxoundecane, Cystamine is 1-amino-2-(ethyldisulfanyl)ethan, Suc-Cystamine is 4-(2-(ethyldisulfanyl)ethylamino)-4-oxobutane-1-carboxylate, CPP is the <span class="html-italic">N</span>-terminal amino position of cell-penetrating peptides (blue circle, position of CPP attachment): Tat (47–57) and PTD4 (attached via PEG<sub>3</sub>, PEG<sub>4</sub>, Cystamine and Suc-Cystamine linker), Arg<sub>9</sub> (attached via PEG<sub>3</sub>, PEG<sub>4</sub> and Cystamine linker) or TP10 (attached via PEG<sub>3</sub> and PEG<sub>4</sub> linker).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5519'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05519/article_deploy/html/images/molecules-29-05519-g002-550.jpg?1732266106" title=" <strong>Figure 2</strong><br/> <p>Effects of vancomycin conjugates and their components on the viability of normal human fibroblast cells: (<b>A</b>) TP10 and its conjugates, (<b>B</b>) Tat(47–57) and its conjugates, (<b>C</b>) PTD4 and its conjugates, (<b>D</b>) Arg<sub>9</sub> and its conjugates. Cells were incubated with various concentrations of peptides for 24 h and cell viability was assessed by neutral red cytotoxicity assay. Plots present mean ± SD from three independent experiments performed in triplicate. The x-axis represents peptide concentration in µg/mL. The y-axis represents cell viability expressed as a percentage relative to the untreated control cells incubated without peptides as well as control cells treated with 10% DMSO. A one-way ANOVA test was used to test the degree of significance. * statistically significant (<span class="html-italic">p</span> &lt; 0.05) as compared to control.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5519'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05519/article_deploy/html/images/molecules-29-05519-g003-550.jpg?1732266109" title=" <strong>Figure 3</strong><br/> <p>The general scheme of the synthesis of vancomycin conjugates with CPPs showing the preparation of one of the representatives of the conjugates—Van-PEG<span class="html-italic"><sub>3</sub></span>-Tat (47–57). The syntheses consist of three main steps. (<b>I</b>) In the first step, azido-functionalized Van derivatives are obtained by coupling vancomycin with bifunctional linkers, e.g., H<span class="html-italic"><sub>2</sub></span>N-PEG<span class="html-italic"><sub>3</sub></span>-N<span class="html-italic"><sub>3</sub></span> (1-amino-11-azido-3,6,9-trioxoundecane); (<b>II</b>) the second step is the solid-phase synthesis (SPPS) of CPP derivatives with a propiolate group attached to the <span class="html-italic">N</span>-terminus, e.g., Prop-Tat (47–57); (<b>III</b>) in the third step, vancomycin derivatives are conjugated with CPP derivatives using the highly effective and chemoselective 1,3-dipolar Huisgen cycloaddition, commonly known as the “click reaction”, which leads to the formation of a 1,2,3-triazole ring and stable Van-CPP conjugates, e.g., Van-PEG<span class="html-italic"><sub>3</sub></span>-Tat (47–57).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5519'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1526675" aria-controls="drop-supplementary-1526675" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1526675" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5518/s1?version=1732258576"> Supplementary File 1 (ZIP, 2396 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 13 pages, 3291 KiB </span> <a href="/1420-3049/29/23/5518/pdf?version=1732258576" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="Using the Theozyme Model to Study the Dynamical Mechanism of the Post-Transition State Bifurcation Reaction by NgnD Enzyme" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <a class="title-link" href="/1420-3049/29/23/5518">Using the Theozyme Model to Study the Dynamical Mechanism of the Post-Transition State Bifurcation Reaction by NgnD Enzyme</a> <div class="authors"> by <span class="inlineblock "><strong>Yaning Hou</strong>, </span><span class="inlineblock "><strong>Jingyun Chen</strong>, </span><span class="inlineblock "><strong>Weizhe Liu</strong>, </span><span class="inlineblock "><strong>Gaohua Zhu</strong>, </span><span class="inlineblock "><strong>Qianying Yang</strong> and </span><span class="inlineblock "><strong>Xin Wang</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5518; <a href="https://doi.org/10.3390/molecules29235518">https://doi.org/10.3390/molecules29235518</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> Post-transition state bifurcation (PTSB) is a fundamental process in which a single transition state leads to multiple products. This phenomenon is important in both biological and chemical contexts and offers valuable insights into reaction mechanisms and their applications. The theozyme model, which focuses <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5518/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> Post-transition state bifurcation (PTSB) is a fundamental process in which a single transition state leads to multiple products. This phenomenon is important in both biological and chemical contexts and offers valuable insights into reaction mechanisms and their applications. The theozyme model, which focuses on key residues within enzymes, offers a computationally efficient method for studying these processes while preserving the enzyme’s catalytic properties. This approach enhances our understanding of how enzymes stabilize and direct the transition state, thereby influencing product distribution and selectivity. In this study, we investigate the dynamics and regulatory mechanisms of the PTSB reaction catalyzed by the enzyme NgnD. The enzyme NgnD facilitates a cycloaddition reaction that produces both [6 + 4] and [4 + 2] adducts, with a preference for the [6 + 4] adduct. By analyzing the potential energy surface, bond length distribution, and interactions between the theozyme and the ambimodal transition state, we elucidate the role of the enzyme’s active site residues in determining product selectivity. We illustrate how these key residues contribute to the formation of different adducts, providing insights from various perspectives. Using theozyme models, we propose how the four most influential active residues collectively might control the direction of adduct formation through their cumulative effects. <a href="/1420-3049/29/23/5518">Full article</a> </div> </div> <a href="#" class="abstract-figures-show" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5518/show" ><span >►</span><span style=" display: none;">▼</span> Show Figures </a><div class="abstract-image-preview "><div class="arrow left-arrow" id="prev1526675"><i class="fa fa-caret-left"></i></div><div class="arrow right-arrow" id="next1526675"><i class="fa fa-caret-right"></i></div><div class="absgraph cycle-slideshow manual" data-cycle-fx="scrollHorz" data-cycle-timeout="0" data-cycle-next="#next1526675" data-cycle-prev="#prev1526675" data-cycle-progressive="#images1526675" data-cycle-slides=">div" data-cycle-log="false"><div class='openpopupgallery cycle-slide' data-imgindex='0' data-target='article-1526675-popup'><span class="helper"></span><img src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" data-src="https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g001-550.jpg?1732258662" alt="" style="border: 0;"><p>Figure 1</p></div><script id="images1526675" type="text/cycle" data-cycle-split="---"><div class='openpopupgallery' data-imgindex='1' data-target='article-1526675-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g002-550.jpg?1732258664'><p>Figure 2</p></div> --- <div class='openpopupgallery' data-imgindex='2' data-target='article-1526675-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g003-550.jpg?1732258666'><p>Figure 3</p></div> --- <div class='openpopupgallery' data-imgindex='3' data-target='article-1526675-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g004-550.jpg?1732258667'><p>Figure 4</p></div> --- <div class='openpopupgallery' data-imgindex='4' data-target='article-1526675-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g005-550.jpg?1732258669'><p>Figure 5</p></div> --- <div class='openpopupgallery' data-imgindex='5' data-target='article-1526675-popup'><span class="helper"></span><img src='https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g006-550.jpg?1732258671'><p>Figure 6</p></div></script></div></div><div id="article-1526675-popup" class="popupgallery" style="display: inline; line-height: 200%"><a href="https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g001-550.jpg?1732258662" title=" <strong>Figure 1</strong><br/> <p>Post-transition state bifurcation potential energy surface with an ambimodal TS, the red line represents the route that generates the [4 + 2] adduct, and the blue line represents the route that generates the [6 + 4] adduct.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5518'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g002-550.jpg?1732258664" title=" <strong>Figure 2</strong><br/> <p>(<b>A</b>) Binding diagram of the ambimodal transition state to NgnD and the structures of the active site residues (carbon atoms are labeled in salmon) and the DFT-optimized ambimodal TS (carbon atoms are labeled in yellow). The PDB code of NgnD is 6A5F. (<b>B</b>) Theozyme models constructed sequentially from the ten active amino acid residues. The C atoms are gray, the H atoms are white, the O atoms are red, the S atom is yellow, and the N atoms are bule.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5518'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g003-550.jpg?1732258666" title=" <strong>Figure 3</strong><br/> <p>The Gibbs free energy was calculated by DFT for the [6 + 4] and [4 + 2] cycloaddition and [3,3]-Cope rearrangement reactions. The theozyme model consisting of W67 (<b>A</b>), the theozyme model consisting of Y55 (<b>B</b>), the theozyme model consisting of M69 (<b>C</b>), and the theozyme model consisting of Y13 (<b>D</b>) participated in the formation of [6 + 4] and [4 + 2] adducts from reactants through TS, and the two adducts can interconvert via the cope rearrangement. The level of theory was calculated as CPCM(diethyl ether)-B3LYP-D3/6-311+G(d,p)//B3LYP-D3/6-31G(d), and the number in parentheses is the calculated Gibbs free energy value in kcal/mol.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5518'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g004-550.jpg?1732258667" title=" <strong>Figure 4</strong><br/> <p>Distribution of bond 2 and bond 3 in 100 TS geometries for ambimodal TS from four theozyme models in diethyl ether. Bond 2 in red leads to the [4 + 2] adduct, while bond 3 in blue leads to the [6 + 4] adduct.</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5518'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g005-550.jpg?1732258669" title=" <strong>Figure 5</strong><br/> <p>Typical trajectories for the formation of [6 + 4] adducts and [4 + 2] adducts in theozyme models consisting of W67, M69, Y55, and Y13, respectively (1.7 Å is the criterion for C-C bond formation).</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5518'>Full article</a></strong> "></a><a href="https://pub.mdpi-res.com/molecules/molecules-29-05518/article_deploy/html/images/molecules-29-05518-g006-550.jpg?1732258671" title=" <strong>Figure 6</strong><br/> <p>Distribution of reactive trajectories initiated from ambimodal TS by four theozyme models in implicit diethyl ether. One hundred randomly selected trajectories were plotted in each case. Blue lines represent the [6 + 4] adducts, and red lines represent the [4 + 2] adducts. The table shows the ratio of [6 + 4] and [4 + 2] adducts. The first four rows of data are the theozyme model in this paper, and WT is the ambimodal TS model without the enzyme previously studied [<a href="#B31-molecules-29-05518" class="html-bibr">31</a>].</p> <strong style='display: block; margin-top: 10px; font-size: 18px;'><a style='color: #fff' href='/1420-3049/29/23/5518'>Full article</a></strong> "></a></div> </div> </div> </div> <div class="expanding-div collapsed"> <div class="generic-item article-item"> <div class="article-content"> <div class="label right label__btn"> <a data-dropdown="drop-supplementary-1526643" aria-controls="drop-supplementary-1526643" aria-expanded="false" title="Supplementary Material"> <i class="material-icons">attachment</i> </a> <div id="drop-supplementary-1526643" class="f-dropdown label__btn__dropdown label__btn__dropdown--wide" data-dropdown-content aria-hidden="true" tabindex="-1"> Supplementary material: <br/> <a href="/1420-3049/29/23/5517/s1?version=1732255443"> Supplementary File 1 (ZIP, 176 KiB) </a><br/> </div> </div> <div class="label right label__btn"> <span style="font-size: 12px; color: #1a1a1a;"> 7 pages, 220 KiB </span> <a href="/1420-3049/29/23/5517/pdf?version=1732261038" class="UD_Listings_ArticlePDF" title="Article PDF" data-name="An Environmentally Compatible and Less Costly (Greener) Microwave Digestion Method of Bone Samples Using Dilute Nitric Acid for Analysis by ICP-MS" data-journal="molecules"> <i class="material-icons custom-download"></i> </a> </div> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Brief Report</span></div> <a class="title-link" href="/1420-3049/29/23/5517">An Environmentally Compatible and Less Costly (Greener) Microwave Digestion Method of Bone Samples Using Dilute Nitric Acid for Analysis by ICP-MS</a> <div class="authors"> by <span class="inlineblock "><strong>Derek D. Bussan</strong>, </span><span class="inlineblock "><strong>Forrest H. Nielsen</strong>, </span><span class="inlineblock "><strong>Chris Douvris</strong>, </span><span class="inlineblock "><strong>Brett Kelzenberg</strong>, </span><span class="inlineblock "><strong>Allison Grimestad</strong> and </span><span class="inlineblock "><strong>Jay J. Cao</strong></span> </div> <div class="color-grey-dark"> <em>Molecules</em> <b>2024</b>, <em>29</em>(23), 5517; <a href="https://doi.org/10.3390/molecules29235517">https://doi.org/10.3390/molecules29235517</a> - 22 Nov 2024 </div> <div class="abstract-div"> <a href="#" onclick="$(this).next('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> <strong>Abstract </strong> </a> <div class="abstract-cropped inline"> An environmentally compatible and less costly (greener) analytical method for the digestion of bone meal samples using microwave-assisted dilute nitric acid (HNO<sub>3</sub>) was developed and optimized. The method, employing a mixture of 1 mL concentrated HNO<sub>3</sub> and 4 mL of <a href="#" data-counterslink = "https://www.mdpi.com/1420-3049/29/23/5517/more" onclick="$(this).parents('.abstract-cropped').toggleClass('inline').next('.abstract-full').toggleClass('inline'); return false;"> [...] Read more.</a> </div> <div class="abstract-full "> An environmentally compatible and less costly (greener) analytical method for the digestion of bone meal samples using microwave-assisted dilute nitric acid (HNO<sub>3</sub>) was developed and optimized. The method, employing a mixture of 1 mL concentrated HNO<sub>3</sub> and 4 mL of deionized water, offered a comparable performance to the conventional method using 5 mL of concentrated HNO<sub>3</sub>. The accuracy of the method was validated by using certified reference material NIST 1486 (Bone Meal); percentage recoveries were within ±15% for all eight certified elements. Statistical analysis revealed no significant differences (<i>p</i> > 0.05) in percentage recoveries between the green and conventional methods for all elements except calcium. The greenness of the developed method was evaluated by using the analytical Eco-Scale, achieving a score of 87, categorizing it as an “excellent green analysis” method. This research highlights the potential for adopting greener practices in trace element analysis that reduce the environmental impact and safety risks associated with concentrated acids. <a href="/1420-3049/29/23/5517">Full article</a> </div> </div> </div> </div> </div> </div> <div class="generic-item last-item"> <a class="bold" href="/search?q=&journal=molecules&sort=pubdate&page_count=50">More Articles...</a> </div> </div> </div> </div> <div id="left-column" class="content__column large-3 large-pull-6 medium-3 medium-pull-6 small-12 columns"> <div id="js-large-main-top-container"> <div id="js-main-top-container" class="content__container"> <a href="/journal/molecules"> <img src="https://pub.mdpi-res.com/img/journals/molecules-logo.png?8600e93ff98dbf14" alt="molecules-logo" title="Molecules" style="max-height: 60px; margin: 0 0 0 0;"> </a> <div class="generic-item no-border" style="position: relative;"> <div class=""> <a class="button button--color button--color-journal 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<link rel="stylesheet" href="https://pub.mdpi-res.com/assets/css/magnific-popup.min.css?04d343e036f8eecd?1732286508"> <link rel="stylesheet" href="https://pub.mdpi-res.com/assets/css/jquery-ui-1.10.4.custom.min.css?80647d88647bf347?1732286508"> <script src="https://pub.mdpi-res.com/assets/js/jquery-ui-1.13.2.min.js?1e2047978946a1d2?1732286508"></script> <script type="text/javascript" src="https://pub.mdpi-res.com/assets/js/magnific-popup.min.js?2be3d9e7dc569146?1732286508"></script> <script> var mainColumn1 = "#right-column"; var extendingReady = true; $(document).ready(function() { $("#journal-browser-go").toggleClass("button--grey", "" === $("#journal-browser-volume").val()); $("#journal-browser-go").toggleClass("button--color", "" !== $("#journal-browser-volume").val()); $("#journal-browser-volume").change(function(e) { $('#journal-browser-issue').find('option').not('.volume-0').hide(); $('#journal-browser-issue').find('.volume-' + $(this).val()).show(); 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