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 Spectroscopic Studies on Structurally Modified Anthraquinone Azo Hydrazone Tautomer: Theoretical and Experimental Approach Subject The topic of the resource Anthraquinone; Antitubercular activity; DFT; Molecular docking; UV-absorption and photoluminescence Description An account of the resource A series of unique four mono-azo substituted anthraquinone analogue were synthesized by using the anthraquinone components in the diazo-coupling technique. The FT-IR, 1H NMR, and HRMS, data were used to confirm the structure of the molecules, and spectroscopic techniques like UV-Vis, and photoluminescence spectroscopy were employed to estimate the photophysical properties of the molecules. The molecular optimized geometry and frontier molecular orbitals were estimated using density functional theory. Further, global chemical reactivity descriptors parameter was theoretically estimated using the value of the highest occupied molecular orbit and lowest unoccupied molecular orbits. The anti-tubercular action of the synthesised dyes were also examined. The results of this biological activity showed that N-isopropyl aniline combined with anthraquinone N-isopropyl aniline had superior anti-tubercular activity when compared to Rifampicin as the standard. As per molecular docking studies, the synthesized compound Q1 showed excellent binding energy (-10.0kcal/mol) among all compounds against the 3ZXR Protein. These results agreed with our in-vitro anti-TB activity results. 2023, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature. Creator An entity primarily responsible for making the resource Shekharagouda P.; Mamatha G.P.; Nagaraju G.; Krishnamurthy C.; Gouthaman S.; Al-Asbahi B.A.; Al-Hada N.M.; Naik L. Source A related resource from which the described resource is derived Journal of Fluorescence Publisher An entity responsible for making the resource available Springer 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/10.1007/s10895-023-03542-3" target="_blank" rel="noreferrer noopener">https://doi.org/10.1007/s10895-023-03542-3</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85181504590&amp;doi=10.1007%2Fs10895-023-03542-3&amp;partnerID=40&amp;md5=ac548bcbe95c8fb90e085fb4fda1a711" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85181504590&amp;doi=10.1007%2fs10895-023-03542-3&amp;partnerID=40&amp;md5=ac548bcbe95c8fb90e085fb4fda1a711</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 10530509; CODEN: JOFLE 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, Shivagangothri, Davanagere, Karnataka, 577 007, India; Mamatha G.P., Department of Studies in Chemistry, Davangere University, Shivagangothri, Davanagere, Karnataka, 577 007, India; Nagaraju G., Energy Material Research Laboratory, Department of Chemistry, Siddaganga Institute of Technology, Karnataka, Tumakuru, 572 103, India; Krishnamurthy C., Department of PG Studies and Research in Chemistry, Kuvempu University, Jnanasahyadri, Shankaraghatta, Karnataka, Shivamogga, 577451, India; Gouthaman S., Organic material lab, Department of Chemistry, School of Chemistry, Indian Institute of Technology, Uttarakhand, Roorkee, 247667, India; Al-Asbahi B.A., Department of Physics &amp; Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia; Al-Hada N.M., Shandong Key Laboratory of Biophysics, Institute of Biophysics, Dezhou University, Dezhou, 253023, China; Naik L., Department of Physics and Electronics, CHRIST University, Bengaluru, Central Campus, Karnataka, Bengaluru, 560029, India