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 Synthesis, in vitro and theoretical studies on newly synthesized deep blue emitting 4-(p-methylphenylsulfonyl-5-aryl/alkyl)oxazole analogues for biological and optoelectronic applications Subject The topic of the resource 4-Ts-Oxazoles; Antimicrobial activity; Photophysical properties; Single crystal XRD Description An account of the resource In the present study, a series of 4,5-di-substituted oxazole derivatives (compounds 2a-p) were synthesized, using a novel methodology for the simultaneous determination of their biological and optoelectronic applications. Among the screened molecules, compounds 2j, 2 l and 2o showed very good antimicrobial potencies with MICs up to 1 g/mL. Furthermore, the photophysical parameters were estimated using theoretical and experimental techniques for optoelectronic applications. The excited-state dipole moment being higher than that of the ground state, investigated using solvato-chromatic method showed a redistribution of the electron densities in the excited state for the fluorophores. The HOMO-LUMO energies of the fluorophores estimated by using density functional theory (DFT) are found to be in good agreement with the experimental values. The electrophilic and nucleophilic sites were also recognized with the help of molecular electrostatic potential 3D plots using time-dependent-DFT computational analysis. The specific and non-specific interactions between the solutesolvent were analyzed by multiple linear regression analysis using Kamlet-Abound-Taft and Catalan parameters. Further, the global chemical reactivity descriptor parameter was also calculated. The photophysical properties of the fluorophores suggest that these may be considered as potential probes for OLED, solar cell, and chemosensor applications. 2022 Elsevier B.V. Creator An entity primarily responsible for making the resource Prabhala P.; Sutar S.M.; Manjunatha M.R.; Pawashe G.M.; Gupta V.K.; Naik L.; Kalkhambkar R.G. Source A related resource from which the described resource is derived Journal of Molecular Liquids, Vol-360 Publisher An entity responsible for making the resource available Elsevier B.V. Date A point or period of time associated with an event in the lifecycle of the resource 2022-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1016/j.molliq.2022.119520" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.molliq.2022.119520</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85131821419&amp;doi=10.1016%2Fj.molliq.2022.119520&amp;partnerID=40&amp;md5=d4d530497588499982d5c66f4bdf00fa" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85131821419&amp;doi=10.1016%2fj.molliq.2022.119520&amp;partnerID=40&amp;md5=d4d530497588499982d5c66f4bdf00fa</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 1677322; CODEN: JMLID 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 Prabhala P., Department of Chemistry, Karnatak University's Karnatak Science College, Karnataka, Dharwad, 580001, India; Sutar S.M., Department of Chemistry, Karnatak University's Karnatak Science College, Karnataka, Dharwad, 580001, India; Manjunatha M.R., Department of Studies in Chemistry, University of Mysore, Karnataka, Manasagangotri, Mysore, 570005, India; Pawashe G.M., Department of Chemistry, Karnatak University's Karnatak Science College, Karnataka, Dharwad, 580001, India; Gupta V.K., Post-Graduate Department of Physics, University of Jammu, Jammu &amp; Kashmir, Jammu Tawi, 180006, India; Naik L., Department of Physics and Electronics, CHRIST (Deemed to be university), Bangalore, 560029, India; Kalkhambkar R.G., Department of Chemistry, Karnatak University's Karnatak Science College, Karnataka, Dharwad, 580001, India