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paperwork. The business today is getting increasingly pressured to be more productive and efficient with less traditional resources.... <a class="more_link u-tcGrayDark u-linkUnstyled" data-container=".work_14569466" data-show=".complete" data-hide=".summarized" data-more-link-behavior="true" href="#">more</a></div><div class="complete hidden">Laboratory Information System (LIS) streamlines workflow in the laboratory and eliminates time-consuming paperwork. The business today is getting increasingly pressured to be more productive and efficient with less traditional resources. If we look at a typical production process, for instance, the level of automation and optimization that has permeated into the production floor is quite astounding. Many industries have had a tremendous impact in bringing to the market the automation and optimization solutions to streamline -the production floor. The other ends of the spectrum are the back-office transaction oriented processes like Inventory Management, Materials Management, Financials and so on, Therefore a lab’s ability to process data quickly and its ability to disseminate that information efficiently throughout the plant is vital for the success of the production process. Laboratory Information Management System (LIMS) can help in managing the information flow within the lab and can be the modus operandi of connecting the lab with the rest of the organization. For instance, imagine all the information that is generated in a lab.</div></div></div><ul class="InlineList u-ph0x u-fs13"><li class="InlineList-item logged_in_only"><div class="share_on_academia_work_button"><a class="academia_share Button Button--inverseBlue Button--sm js-bookmark-button" data-academia-share="Work/14569466" data-share-source="work_strip" data-spinner="small_white_hide_contents"><i class="fa fa-plus"></i><span class="work-strip-link-text u-ml1x" data-content="button_text">Bookmark</span></a></div></li><li class="InlineList-item"><div class="download"><a id="b98e7b8ea5af4803c2aa513032702bf9" rel="nofollow" data-download="{"attachment_id":38358654,"asset_id":14569466,"asset_type":"Work","always_allow_download":false,"track":null,"button_location":"work_strip","source":null,"hide_modal":null}" class="Button Button--sm Button--inverseGreen js-download-button prompt_button doc_download" href="https://www.academia.edu/attachments/38358654/download_file?st=MTczMjM5NTIyMSw4LjIyMi4yMDguMTQ2&s=work_strip"><i class="fa fa-arrow-circle-o-down fa-lg"></i><span class="u-textUppercase u-ml1x" data-content="button_text">Download</span></a></div></li><li class="InlineList-item"><ul class="InlineList InlineList--bordered u-ph0x"><li class="InlineList-item InlineList-item--bordered"><span class="InlineList-item-text">by <span itemscope="itemscope" itemprop="author" itemtype="https://schema.org/Person"><a class="u-tcGrayDark u-fw700" data-has-card-for-user="18872828" href="https://independent.academia.edu/ijprs">International Journal for Pharmaceutical Research Scholars (IJPRS)</a><script data-card-contents-for-user="18872828" type="text/json">{"id":18872828,"first_name":"International Journal for Pharmaceutical Research Scholars","last_name":"(IJPRS)","domain_name":"independent","page_name":"ijprs","display_name":"International Journal for Pharmaceutical Research Scholars (IJPRS)","profile_url":"https://independent.academia.edu/ijprs?f_ri=530","photo":"https://0.academia-photos.com/18872828/5246417/9704006/s65_international_journal_for_pharmaceutical_research_scholars._ijprs_.png"}</script></span></span></li><li class="js-paper-rank-work_14569466 InlineList-item InlineList-item--bordered hidden"><span class="js-paper-rank-view hidden u-tcGrayDark" data-paper-rank-work-id="14569466"><i class="u-m1x fa fa-bar-chart"></i><strong class="js-paper-rank"></strong></span><script>$(function() { new Works.PaperRankView({ workId: 14569466, container: ".js-paper-rank-work_14569466", }); 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href="#">more</a></div><div class="complete hidden">High-level composite, ab initio and density functional theory (DFT) procedures have been employed to study O–H bond dissociation energies (BDEs), as well as radical stabilization energies (RSEs) in the oxygen-centred radicals that are formed in the dissociation of the O–H bonds. Benchmark values are provided by Wn results up to W3.2 and W4.x. We are able to recommend revised BDE values for FO–H (415.6 ± 3 kJ mol–1), MeC(O)O–H (459.8 ± 6 kJ mol–1) and CF3CH2O–H (461.9 ± 6 kJ mol–1) on the basis of high-level calculations. We find that Gn-type procedures are generally reliable and cost-effective, and that some contemporary functionals and double-hybrid DFT procedures also provide adequate O–H BDEs/RSEs. We note that the variations in the O–H BDEs are associated with variations in the stabilities of not only the radicals but also the closed-shell precursor molecules. Most substituents destabilize both species, with σ-electron-withdrawing groups having larger destabilizing effects, whil...</div></div></div><ul class="InlineList u-ph0x u-fs13"><li class="InlineList-item logged_in_only"><div class="share_on_academia_work_button"><a class="academia_share Button Button--inverseBlue Button--sm js-bookmark-button" data-academia-share="Work/76492397" data-share-source="work_strip" data-spinner="small_white_hide_contents"><i class="fa fa-plus"></i><span class="work-strip-link-text u-ml1x" data-content="button_text">Bookmark</span></a></div></li><li class="InlineList-item"><div class="download"><a id="3ccc45b0b29a6e979eb9fdb0648b40bd" rel="nofollow" data-download="{"attachment_id":84184655,"asset_id":76492397,"asset_type":"Work","always_allow_download":false,"track":null,"button_location":"work_strip","source":null,"hide_modal":null}" class="Button Button--sm Button--inverseGreen js-download-button prompt_button doc_download" href="https://www.academia.edu/attachments/84184655/download_file?st=MTczMjM5NTIyMSw4LjIyMi4yMDguMTQ2&s=work_strip"><i class="fa fa-arrow-circle-o-down fa-lg"></i><span class="u-textUppercase u-ml1x" data-content="button_text">Download</span></a></div></li><li class="InlineList-item"><ul class="InlineList InlineList--bordered u-ph0x"><li class="InlineList-item InlineList-item--bordered"><span class="InlineList-item-text">by <span itemscope="itemscope" itemprop="author" itemtype="https://schema.org/Person"><a class="u-tcGrayDark u-fw700" data-has-card-for-user="184339275" href="https://nagasaki-u.academia.edu/BunChan">Bun Chan</a><script data-card-contents-for-user="184339275" type="text/json">{"id":184339275,"first_name":"Bun","last_name":"Chan","domain_name":"nagasaki-u","page_name":"BunChan","display_name":"Bun Chan","profile_url":"https://nagasaki-u.academia.edu/BunChan?f_ri=530","photo":"https://0.academia-photos.com/184339275/66896180/55255210/s65_bun.chan.jpeg"}</script></span></span></li><li class="js-paper-rank-work_76492397 InlineList-item InlineList-item--bordered hidden"><span class="js-paper-rank-view hidden u-tcGrayDark" data-paper-rank-work-id="76492397"><i class="u-m1x fa fa-bar-chart"></i><strong class="js-paper-rank"></strong></span><script>$(function() { new Works.PaperRankView({ workId: 76492397, container: ".js-paper-rank-work_76492397", }); 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Benchmark values are provided by Wn results up to W3.2 and W4.x. We are able to recommend revised BDE values for FO–H (415.6 ± 3 kJ mol–1), MeC(O)O–H (459.8 ± 6 kJ mol–1) and CF3CH2O–H (461.9 ± 6 kJ mol–1) on the basis of high-level calculations. We find that Gn-type procedures are generally reliable and cost-effective, and that some contemporary functionals and double-hybrid DFT procedures also provide adequate O–H BDEs/RSEs. We note that the variations in the O–H BDEs are associated with variations in the stabilities of not only the radicals but also the closed-shell precursor molecules. Most substituents destabilize both species, with σ-electron-withdrawing groups having larger destabilizing effects, whil...","downloadable_attachments":[{"id":84184655,"asset_id":76492397,"asset_type":"Work","always_allow_download":false}],"ordered_authors":[{"id":184339275,"first_name":"Bun","last_name":"Chan","domain_name":"nagasaki-u","page_name":"BunChan","display_name":"Bun Chan","profile_url":"https://nagasaki-u.academia.edu/BunChan?f_ri=530","photo":"https://0.academia-photos.com/184339275/66896180/55255210/s65_bun.chan.jpeg"}],"research_interests":[{"id":523,"name":"Chemistry","url":"https://www.academia.edu/Documents/in/Chemistry?f_ri=530","nofollow":false},{"id":524,"name":"Analytical Chemistry","url":"https://www.academia.edu/Documents/in/Analytical_Chemistry?f_ri=530","nofollow":false},{"id":528,"name":"Computational Chemistry","url":"https://www.academia.edu/Documents/in/Computational_Chemistry?f_ri=530","nofollow":false},{"id":530,"name":"Inorganic Chemistry","url":"https://www.academia.edu/Documents/in/Inorganic_Chemistry?f_ri=530","nofollow":false},{"id":1177,"name":"Crystallography","url":"https://www.academia.edu/Documents/in/Crystallography?f_ri=530"},{"id":3408,"name":"Green Chemistry","url":"https://www.academia.edu/Documents/in/Green_Chemistry?f_ri=530"},{"id":4331,"name":"Biosensors","url":"https://www.academia.edu/Documents/in/Biosensors?f_ri=530"},{"id":4748,"name":"Electrochemistry","url":"https://www.academia.edu/Documents/in/Electrochemistry?f_ri=530"},{"id":4749,"name":"Catalysis","url":"https://www.academia.edu/Documents/in/Catalysis?f_ri=530"},{"id":18520,"name":"Biological Chemistry","url":"https://www.academia.edu/Documents/in/Biological_Chemistry?f_ri=530"},{"id":35607,"name":"Biocatalysis","url":"https://www.academia.edu/Documents/in/Biocatalysis?f_ri=530"},{"id":40644,"name":"Ab initio 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activity","url":"https://www.academia.edu/Documents/in/Enzyme_activity?f_ri=530"},{"id":773664,"name":"Inorganic Biochemistry","url":"https://www.academia.edu/Documents/in/Inorganic_Biochemistry?f_ri=530"},{"id":1137254,"name":"Hydrogen-Ion Concentration","url":"https://www.academia.edu/Documents/in/Hydrogen-Ion_Concentration?f_ri=530"},{"id":1205575,"name":"Square Wave Voltammetry","url":"https://www.academia.edu/Documents/in/Square_Wave_Voltammetry?f_ri=530"},{"id":1256747,"name":"Oxidation-Reduction","url":"https://www.academia.edu/Documents/in/Oxidation-Reduction?f_ri=530"},{"id":2418473,"name":"Redox Potential","url":"https://www.academia.edu/Documents/in/Redox_Potential?f_ri=530"}]}, }) } })();</script></ul></li></ul></div></div><div class="u-borderBottom1 u-borderColorGrayLighter"><div class="clearfix u-pv7x u-mb0x js-work-card work_66910588" data-work_id="66910588" itemscope="itemscope" itemtype="https://schema.org/ScholarlyArticle"><div class="header"><div class="title 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$(".js-view-count[data-work-id=24401073]").text(description); $(".js-view-count-work_24401073").attr('title', description).tooltip(); }); });</script></span><script>$(function() { $(".js-view-count-work_24401073").removeClass('hidden') })</script></div></li><li class="InlineList-item u-positionRelative" style="max-width: 250px"><div class="u-positionAbsolute" data-has-card-for-ri-list="24401073"><i class="fa fa-tag InlineList-item-icon u-positionRelative"></i>  <a class="InlineList-item-text u-positionRelative">2</a>  </div><span class="InlineList-item-text u-textTruncate u-pl9x"><a class="InlineList-item-text" data-has-card-for-ri="530" href="https://www.academia.edu/Documents/in/Inorganic_Chemistry">Inorganic Chemistry</a>, <script data-card-contents-for-ri="530" type="text/json">{"id":530,"name":"Inorganic Chemistry","url":"https://www.academia.edu/Documents/in/Inorganic_Chemistry?f_ri=530","nofollow":false}</script><a class="InlineList-item-text" data-has-card-for-ri="15558" href="https://www.academia.edu/Documents/in/Solid_State_Chemistry">Solid State Chemistry</a><script data-card-contents-for-ri="15558" type="text/json">{"id":15558,"name":"Solid State Chemistry","url":"https://www.academia.edu/Documents/in/Solid_State_Chemistry?f_ri=530","nofollow":false}</script></span></li><script>(function(){ if (true) { new Aedu.ResearchInterestListCard({ el: $('*[data-has-card-for-ri-list=24401073]'), work: {"id":24401073,"title":"Carbonaceous spheres—an unusual template for solid metal oxide mesoscale spheres: Application to ZnO 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u-borderColorGrayLighter"><div class="clearfix u-pv7x u-mb0x js-work-card work_23802151" data-work_id="23802151" itemscope="itemscope" itemtype="https://schema.org/ScholarlyArticle"><div class="header"><div class="title u-fontSerif u-fs22 u-lineHeight1_3"><a class="u-tcGrayDarkest js-work-link" href="https://www.academia.edu/23802151/Intramolecular_Hetero_Diels_Alder_Reactions_of_%CE%B1_%CE%B1_Dioxosulfines_A_New_Access_to_the_3_3_1_Bicyclic_Skeleton">Intramolecular Hetero Diels−Alder Reactions of α,α’-Dioxosulfines − A New Access to the [3.3.1]-Bicyclic Skeleton</a></div></div><div class="u-pb4x u-mt3x"></div><ul class="InlineList u-ph0x u-fs13"><li class="InlineList-item logged_in_only"><div class="share_on_academia_work_button"><a class="academia_share Button Button--inverseBlue Button--sm js-bookmark-button" data-academia-share="Work/23802151" data-share-source="work_strip" data-spinner="small_white_hide_contents"><i class="fa fa-plus"></i><span class="work-strip-link-text u-ml1x" 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href="https://www.academia.edu/Documents/in/Organic_Chemistry">Organic Chemistry</a>, <script data-card-contents-for-ri="531" type="text/json">{"id":531,"name":"Organic Chemistry","url":"https://www.academia.edu/Documents/in/Organic_Chemistry?f_ri=530","nofollow":false}</script><a class="InlineList-item-text" data-has-card-for-ri="6811" href="https://www.academia.edu/Documents/in/Quantum_Theory">Quantum Theory</a>, <script data-card-contents-for-ri="6811" type="text/json">{"id":6811,"name":"Quantum Theory","url":"https://www.academia.edu/Documents/in/Quantum_Theory?f_ri=530","nofollow":false}</script><a class="InlineList-item-text" data-has-card-for-ri="69542" href="https://www.academia.edu/Documents/in/Computer_Simulation">Computer Simulation</a><script data-card-contents-for-ri="69542" type="text/json">{"id":69542,"name":"Computer Simulation","url":"https://www.academia.edu/Documents/in/Computer_Simulation?f_ri=530","nofollow":false}</script></span></li><script>(function(){ if (true) { new Aedu.ResearchInterestListCard({ el: $('*[data-has-card-for-ri-list=23802151]'), work: {"id":23802151,"title":"Intramolecular Hetero Diels−Alder Reactions of α,α’-Dioxosulfines − A New Access to the [3.3.1]-Bicyclic Skeleton","created_at":"2016-03-30T01:25:11.371-07:00","url":"https://www.academia.edu/23802151/Intramolecular_Hetero_Diels_Alder_Reactions_of_%CE%B1_%CE%B1_Dioxosulfines_A_New_Access_to_the_3_3_1_Bicyclic_Skeleton?f_ri=530","dom_id":"work_23802151","summary":null,"downloadable_attachments":[{"id":44224597,"asset_id":23802151,"asset_type":"Work","always_allow_download":false}],"ordered_authors":[{"id":32694630,"first_name":"Alessandro","last_name":"Provenzani","domain_name":"unitn","page_name":"AlessandroProvenzani","display_name":"Alessandro Provenzani","profile_url":"https://unitn.academia.edu/AlessandroProvenzani?f_ri=530","photo":"/images/s65_no_pic.png"}],"research_interests":[{"id":530,"name":"Inorganic Chemistry","url":"https://www.academia.edu/Documents/in/Inorganic_Chemistry?f_ri=530","nofollow":false},{"id":531,"name":"Organic Chemistry","url":"https://www.academia.edu/Documents/in/Organic_Chemistry?f_ri=530","nofollow":false},{"id":6811,"name":"Quantum Theory","url":"https://www.academia.edu/Documents/in/Quantum_Theory?f_ri=530","nofollow":false},{"id":69542,"name":"Computer Simulation","url":"https://www.academia.edu/Documents/in/Computer_Simulation?f_ri=530","nofollow":false},{"id":582465,"name":"Cyclization","url":"https://www.academia.edu/Documents/in/Cyclization?f_ri=530"},{"id":1724844,"name":"Molecular Structure","url":"https://www.academia.edu/Documents/in/Molecular_Structure?f_ri=530"}]}, }) } })();</script></ul></li></ul></div></div><div class="u-borderBottom1 u-borderColorGrayLighter"><div class="clearfix u-pv7x u-mb0x js-work-card work_15585262" data-work_id="15585262" itemscope="itemscope" itemtype="https://schema.org/ScholarlyArticle"><div class="header"><div class="title u-fontSerif u-fs22 u-lineHeight1_3"><a class="u-tcGrayDarkest js-work-link" href="https://www.academia.edu/15585262/Antifertility_antibacterial_antifungal_and_percent_disease_incidence_aspects_of_macrocyclic_complexes_of_manganese_II_">Antifertility, antibacterial, antifungal and percent disease incidence aspects of macrocyclic complexes of manganese(II)</a></div></div><div class="u-pb4x u-mt3x"><div class="summary u-fs14 u-fw300 u-lineHeight1_5 u-tcGrayDarkest"><div class="summarized">Macrocyclic complexes of Mn(II) were synthesized by template condensation using 2,6-diaminopyridine and diethylenetriamine with malonic, succinic, glutaric and adipic acids. The reaction proceeded smoothly to completion. These 16- to... <a class="more_link u-tcGrayDark u-linkUnstyled" data-container=".work_15585262" data-show=".complete" data-hide=".summarized" data-more-link-behavior="true" href="#">more</a></div><div class="complete hidden">Macrocyclic complexes of Mn(II) were synthesized by template condensation using 2,6-diaminopyridine and diethylenetriamine with malonic, succinic, glutaric and adipic acids. The reaction proceeded smoothly to completion. These 16- to 24-membered N(6), but behaving as tetradentate, macrocyclic complexes were characterized by elemental analyses, molecular weight determinations, infrared, electronic, mass and X-ray spectral analyses. The elemental analyses are consistent with the formation of complexes [Mn(N(6)L(n))Cl(2)]. All the complexes are stable and monomeric in nature, as indicated by the molecular weight determinations. The spectral studies confirmed the proposed framework of the new macrocyclic complexes and indicated an octahedral geometry around the central metal atom. The complexes were screened in vitro against a number of pathogenic fungi and bacteria to assess their growth-inhibiting potential. 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