Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Photophysical and antitubercular studies on newly synthesised structurally architectured sulphonamide Subject The topic of the resource Antitubercular potency; azo dye; chemical reactivity parameters; DFT studies; MESP Description An account of the resource This study presents the synthesis and characterisation of four mono-azo sulphonamide derivatives through diazo-coupling electrophilic substitution reactions. The structural analysis of the synthesised molecules was conducted utilising FT-IR, 1H-NMR and HR-MS techniques. Absorption and fluorescence maxima of the synthesised molecules were determined across solvents of varying polarity to explore Solvatochromic behaviour. Density functional theory was employed to elucidate electronic and optical properties, including the computation of HOMOLUMO energies using Gaussian 09W software, with comparisons to experimental data. Molecular electrostatic potential 3D plots identified electrophilic and nucleophilic sites. Solvent interactions were evaluated using KamletAbboud Taft and Catalan parameters. Further, global chemical reactivity descriptors were estimated to ascertain chemical reactivity of the molecules. Additionally, the effectiveness of the colourant anti-tubercular activity was evaluated using in vitro and molecular docking techniques. The biological activity results reveal that methyl-pyridone and barbituric acid coupled with sulphamethizole (SMP and SMB) displayed excellent anti-tubercular activity compared with the standard Gentamycin. 2024 Informa UK Limited, trading as Taylor &amp; Francis Group. Creator An entity primarily responsible for making the resource Shekharagouda P.; Mamatha G.P.; Nagaraju G.; Krishnamurthy C.; Sajjan V.P.; Ali Al-Asbahi B.; Mohammed Al-Hada N.; Gowda B.G.; Naik L. Source A related resource from which the described resource is derived Molecular Physics Publisher An entity responsible for making the resource available Taylor and Francis Ltd. Date A point or period of time associated with an event in the lifecycle of the resource 2024-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1080/00268976.2024.2356189" target="_blank" rel="noreferrer noopener">https://doi.org/10.1080/00268976.2024.2356189</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193973844&amp;doi=10.1080%2F00268976.2024.2356189&amp;partnerID=40&amp;md5=f7805b69bd6b0b1bbca49beca41528c3" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85193973844&amp;doi=10.1080%2f00268976.2024.2356189&amp;partnerID=40&amp;md5=f7805b69bd6b0b1bbca49beca41528c3</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 268976; CODEN: MOPHA Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Shekharagouda P., Department of Studies in Chemistry, Davangere University, Davanagere, India; Mamatha G.P., Department of Studies in Chemistry, Davangere University, Davanagere, India; Nagaraju G., Energy Material Research Laboratory, Department of Chemistry, Siddaganga Institute of Technology, Tumakuru, India; Krishnamurthy C., Department of PG Studies and Research in Chemistry, Kuvempu University, Shivamogga, India; Sajjan V.P., Department of Chemistry, Rani Channamma University, Belagavi, India; Ali Al-Asbahi B., Department of Physics &amp; Astronomy, College of Science, King Saud University, Riyadh, Saudi Arabia; Mohammed Al-Hada N., Shandong Key Laboratory of Biophysics, Institute of Biophysics, Dezhou University, Dezhou, China; Gowda B.G., Department of Chemistry, Maharani Cluster University, Bangalore, India; Naik L., Department of Physics and Electronics, CHRIST University, Bengaluru, Bengaluru, India