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The synthesized molecules were then characterized through ultraviolet\u2010visible spectroscopy (UV\u2010Vis),\u00a0Fourier transform infrared (FTIR), <jats:sup>1<\/jats:sup>H\u2010NMR, <jats:sup>13<\/jats:sup>C\u2010NMR, and mass spectrometry. The antioxidant potential, Urease inhibition, and interaction of compounds <jats:bold>1<\/jats:bold>\u2013<jats:bold>4<\/jats:bold> with Salmon sperm DNA were experimentally explored and supported by molecular docking studies. The synthesized compounds strongly interact with SS\u2010DNA through intercalative mode. It was noticed that compound <jats:bold>1<\/jats:bold> served as potent Urease inhibitor while compound <jats:bold>4<\/jats:bold> as better antioxidant among synthesized compounds. Moreover, frontier molecular orbitals, nonlinear optical\u00a0(NLO) properties, natural bond orbitals, molecular electrostatic potential, natural population analysis, and photophysical properties of synthesized compounds were accomplished through density functional theory\u00a0and time\u2010dependent density functional theory. The band gap of all the compounds have been worked out using Taucs method. In addition to that, a precise comparative account of UV and IR data obtained from theoretical and experimental findings showed good agreement between theoretical and experimental data. The findings of our studies reflected that compounds\u00a0<jats:bold>1<\/jats:bold>\u2013<jats:bold>4<\/jats:bold> possess better NLO properties than Urea standard and the band gap data also reflected their prospective use towards optoelectronic materials. The better NLO behavior of compounds was attributed to the noncentrosymmetric structure of synthesized compounds.<\/jats:p>","DOI":"10.1002\/jbt.23433","type":"journal-article","created":{"date-parts":[[2023,7,3]],"date-time":"2023-07-03T05:30:15Z","timestamp":1688362215000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Photophysical and biological aspects of <i>\u03b1, \u03b2<\/i>\u2010unsaturated ketones: Experimental and in silico approach"],"prefix":"10.1002","volume":"37","author":[{"given":"Hafiza Saba","family":"Samreen","sequence":"first","affiliation":[{"name":"Institute of Chemical Sciences Bahauddin Zakariya University Multan Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5981-9430","authenticated-orcid":false,"given":"Ajaz","family":"Hussain","sequence":"additional","affiliation":[{"name":"Institute of Chemical Sciences Bahauddin Zakariya University Multan Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Muhammad","family":"Yar","sequence":"additional","affiliation":[{"name":"Department of Chemistry COMSATS Institute of Information Technology Abbottabad Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohammed Battah","family":"Alshammari","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science and Humanities Prince Sattam bin Abdul Aziz university Al\u2010Kharj Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Khurshid","family":"Ayub","sequence":"additional","affiliation":[{"name":"Department of Chemistry COMSATS Institute of Information Technology Abbottabad Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Muhammad","family":"Adeel","sequence":"additional","affiliation":[{"name":"Institute of Chemical Sciences Gomal University Dera Ismaeel Khan Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Muhammad","family":"Tariq","sequence":"additional","affiliation":[{"name":"Institute of Chemical Sciences Bahauddin Zakariya University Multan Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mehreen","family":"Lateef","sequence":"additional","affiliation":[{"name":"Multidisciplinary Research Laboratories Bahria University Medical and Dental College Karachi Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohammed Afroz","family":"Bakht","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science and Humanities Prince Sattam bin Abdul Aziz university Al\u2010Kharj Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Faiz","family":"Rasool","sequence":"additional","affiliation":[{"name":"Institute of Chemical Sciences Bahauddin Zakariya University Multan Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2023,7,2]]},"reference":[{"key":"e_1_2_11_2_1","doi-asserted-by":"publisher","DOI":"10.1080\/00397919908085949"},{"key":"e_1_2_11_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2014.08.033"},{"key":"e_1_2_11_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/0304-3835(95)03945-S"},{"key":"e_1_2_11_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodchem.2007.08.086"},{"key":"e_1_2_11_6_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules17066179"},{"key":"e_1_2_11_7_1","doi-asserted-by":"publisher","DOI":"10.2174\/1574892809666140819153902"},{"key":"e_1_2_11_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.201100077"},{"key":"e_1_2_11_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbi.2022.110297"},{"key":"e_1_2_11_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2006.09.019"},{"key":"e_1_2_11_11_1","doi-asserted-by":"publisher","DOI":"10.1211\/0022357001773814"},{"issue":"2","key":"e_1_2_11_12_1","first-page":"30","volume":"3","author":"Hamza A. 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