Novel Ti/Al(OH)3 and Fe/Al(OH)3 Nano Catalyzed 4-Acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate Synthesis and its Molecular Docking, Quantum Chemical Studies
A series of novel 4-acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate based chalcone moieties have been synthesized via green chemical Ti/Al(OH) 3 and Fe/Al(OH) 3 nano catalyzed pathway and spectroscopic authentication of these synthesized molecules were interpreted by FT-IR, 1 H-NMR, 13 C-NMR, Mas...
Gespeichert in:
| Veröffentlicht in: | Journal of inorganic and organometallic polymers and materials 2022-07, Vol.32 (7), p.2384-2397 |
|---|---|
| Hauptverfasser: | , , , , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 2397 |
|---|---|
| container_issue | 7 |
| container_start_page | 2384 |
| container_title | Journal of inorganic and organometallic polymers and materials |
| container_volume | 32 |
| creator | Thirumurugan, C. Bharathi, A. Kalaivanan, C. Guo, Shenghui Mohan, A. Murugesan, G. Samikannu, Prabu Lalitha, A. Vadivel, P. |
| description | A series of novel 4-acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate based chalcone moieties have been synthesized via green chemical Ti/Al(OH)
3
and Fe/Al(OH)
3
nano catalyzed pathway and spectroscopic authentication of these synthesized molecules were interpreted by FT-IR,
1
H-NMR,
13
C-NMR, Mass and elemental analysis. In-silico molecular docking studies of the compounds exhibited excellent binding energy (− 8.06 kcal and − 8.94 kcal) towards the essential requirements of targeted compounds for EGFR receptor bearing quinazoline inhibitor (PDB ID: 1M17(Lapitinib). UV–Vis and fluorescence spectroscopy measurements evidenced that there is a significant effect on the absorption and emission spectra. Cyclic voltammetry (CV) studies reveal that HOMO and LUMO values of the compounds are evidenced that band along with intra molecular charge transfer character (D-π-A). The red shift maxima (500 nm) of the emission spectra in various solvent were increasing with the solvent polarity.
Graphical Abstract |
| doi_str_mv | 10.1007/s10904-022-02245-9 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2696689122</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2696689122</sourcerecordid><originalsourceid>FETCH-LOGICAL-c1859-1b72abe6692c11d89c0667bb7e3c1dd87c8bbdfe4dbb3d3e5af20b8617eddbe93</originalsourceid><addsrcrecordid>eNp9kU1PGzEQhleoSKRp_0BPlrgkEi7-2M9jlBKoREEV9NKL5Y9JsuC1U9uLtPwb_mkTtoJbD6OZ0bzvO4cny75Q8pUSUp1HShqSY8LYofICN0fZhBZVjmle0A9vc85Pso8xPhDCa1LQSfZy45_Aovv2fGFnt1dzjqQzaAVv6410Hi1lknZ4BoNyvNCQZNcav9uCGyzieDb7PceqT5hhcH6w8_GiZVCykwnQ3eDSFmIbX8PbFNEPb0H3Vgb0zevH1m3O0M9eutR3aLmFrtXSorvUmxbip-x4LW2Ez__6NPu1urhfXuHr28vvy8U11rQuGkxVxaSCsmyYptTUjSZlWSlVAdfUmLrStVJmDblRihsOhVwzouqSVmCMgoZPs9Mxdxf8nx5iEg--D27_UrCyKcu6oYztVWxU6eBjDLAWu9B2MgyCEnFAIUYUYo9BvKIQh2g-muJe7DYQ3qP_4_oLEE-L_w</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2696689122</pqid></control><display><type>article</type><title>Novel Ti/Al(OH)3 and Fe/Al(OH)3 Nano Catalyzed 4-Acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate Synthesis and its Molecular Docking, Quantum Chemical Studies</title><source>SpringerLink Journals - AutoHoldings</source><creator>Thirumurugan, C. ; Bharathi, A. ; Kalaivanan, C. ; Guo, Shenghui ; Mohan, A. ; Murugesan, G. ; Samikannu, Prabu ; Lalitha, A. ; Vadivel, P.</creator><creatorcontrib>Thirumurugan, C. ; Bharathi, A. ; Kalaivanan, C. ; Guo, Shenghui ; Mohan, A. ; Murugesan, G. ; Samikannu, Prabu ; Lalitha, A. ; Vadivel, P.</creatorcontrib><description>A series of novel 4-acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate based chalcone moieties have been synthesized via green chemical Ti/Al(OH)
3
and Fe/Al(OH)
3
nano catalyzed pathway and spectroscopic authentication of these synthesized molecules were interpreted by FT-IR,
1
H-NMR,
13
C-NMR, Mass and elemental analysis. In-silico molecular docking studies of the compounds exhibited excellent binding energy (− 8.06 kcal and − 8.94 kcal) towards the essential requirements of targeted compounds for EGFR receptor bearing quinazoline inhibitor (PDB ID: 1M17(Lapitinib). UV–Vis and fluorescence spectroscopy measurements evidenced that there is a significant effect on the absorption and emission spectra. Cyclic voltammetry (CV) studies reveal that HOMO and LUMO values of the compounds are evidenced that band along with intra molecular charge transfer character (D-π-A). The red shift maxima (500 nm) of the emission spectra in various solvent were increasing with the solvent polarity.
Graphical Abstract</description><identifier>ISSN: 1574-1443</identifier><identifier>EISSN: 1574-1451</identifier><identifier>DOI: 10.1007/s10904-022-02245-9</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Aluminum ; Charge transfer ; Chemical analysis ; Chemical synthesis ; Chemistry ; Chemistry and Materials Science ; Doppler effect ; Emission analysis ; Emission spectra ; Inorganic Chemistry ; Iron ; Molecular docking ; Molecular orbitals ; NMR ; Nuclear magnetic resonance ; Organic Chemistry ; Polymer Sciences ; Quantum chemistry ; Red shift ; Solvents ; Titanium</subject><ispartof>Journal of inorganic and organometallic polymers and materials, 2022-07, Vol.32 (7), p.2384-2397</ispartof><rights>The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2022</rights><rights>The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2022.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c1859-1b72abe6692c11d89c0667bb7e3c1dd87c8bbdfe4dbb3d3e5af20b8617eddbe93</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s10904-022-02245-9$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s10904-022-02245-9$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27923,27924,41487,42556,51318</link.rule.ids></links><search><creatorcontrib>Thirumurugan, C.</creatorcontrib><creatorcontrib>Bharathi, A.</creatorcontrib><creatorcontrib>Kalaivanan, C.</creatorcontrib><creatorcontrib>Guo, Shenghui</creatorcontrib><creatorcontrib>Mohan, A.</creatorcontrib><creatorcontrib>Murugesan, G.</creatorcontrib><creatorcontrib>Samikannu, Prabu</creatorcontrib><creatorcontrib>Lalitha, A.</creatorcontrib><creatorcontrib>Vadivel, P.</creatorcontrib><title>Novel Ti/Al(OH)3 and Fe/Al(OH)3 Nano Catalyzed 4-Acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate Synthesis and its Molecular Docking, Quantum Chemical Studies</title><title>Journal of inorganic and organometallic polymers and materials</title><addtitle>J Inorg Organomet Polym</addtitle><description>A series of novel 4-acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate based chalcone moieties have been synthesized via green chemical Ti/Al(OH)
3
and Fe/Al(OH)
3
nano catalyzed pathway and spectroscopic authentication of these synthesized molecules were interpreted by FT-IR,
1
H-NMR,
13
C-NMR, Mass and elemental analysis. In-silico molecular docking studies of the compounds exhibited excellent binding energy (− 8.06 kcal and − 8.94 kcal) towards the essential requirements of targeted compounds for EGFR receptor bearing quinazoline inhibitor (PDB ID: 1M17(Lapitinib). UV–Vis and fluorescence spectroscopy measurements evidenced that there is a significant effect on the absorption and emission spectra. Cyclic voltammetry (CV) studies reveal that HOMO and LUMO values of the compounds are evidenced that band along with intra molecular charge transfer character (D-π-A). The red shift maxima (500 nm) of the emission spectra in various solvent were increasing with the solvent polarity.
Graphical Abstract</description><subject>Aluminum</subject><subject>Charge transfer</subject><subject>Chemical analysis</subject><subject>Chemical synthesis</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Doppler effect</subject><subject>Emission analysis</subject><subject>Emission spectra</subject><subject>Inorganic Chemistry</subject><subject>Iron</subject><subject>Molecular docking</subject><subject>Molecular orbitals</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Organic Chemistry</subject><subject>Polymer Sciences</subject><subject>Quantum chemistry</subject><subject>Red shift</subject><subject>Solvents</subject><subject>Titanium</subject><issn>1574-1443</issn><issn>1574-1451</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp9kU1PGzEQhleoSKRp_0BPlrgkEi7-2M9jlBKoREEV9NKL5Y9JsuC1U9uLtPwb_mkTtoJbD6OZ0bzvO4cny75Q8pUSUp1HShqSY8LYofICN0fZhBZVjmle0A9vc85Pso8xPhDCa1LQSfZy45_Aovv2fGFnt1dzjqQzaAVv6410Hi1lknZ4BoNyvNCQZNcav9uCGyzieDb7PceqT5hhcH6w8_GiZVCykwnQ3eDSFmIbX8PbFNEPb0H3Vgb0zevH1m3O0M9eutR3aLmFrtXSorvUmxbip-x4LW2Ez__6NPu1urhfXuHr28vvy8U11rQuGkxVxaSCsmyYptTUjSZlWSlVAdfUmLrStVJmDblRihsOhVwzouqSVmCMgoZPs9Mxdxf8nx5iEg--D27_UrCyKcu6oYztVWxU6eBjDLAWu9B2MgyCEnFAIUYUYo9BvKIQh2g-muJe7DYQ3qP_4_oLEE-L_w</recordid><startdate>20220701</startdate><enddate>20220701</enddate><creator>Thirumurugan, C.</creator><creator>Bharathi, A.</creator><creator>Kalaivanan, C.</creator><creator>Guo, Shenghui</creator><creator>Mohan, A.</creator><creator>Murugesan, G.</creator><creator>Samikannu, Prabu</creator><creator>Lalitha, A.</creator><creator>Vadivel, P.</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20220701</creationdate><title>Novel Ti/Al(OH)3 and Fe/Al(OH)3 Nano Catalyzed 4-Acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate Synthesis and its Molecular Docking, Quantum Chemical Studies</title><author>Thirumurugan, C. ; Bharathi, A. ; Kalaivanan, C. ; Guo, Shenghui ; Mohan, A. ; Murugesan, G. ; Samikannu, Prabu ; Lalitha, A. ; Vadivel, P.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c1859-1b72abe6692c11d89c0667bb7e3c1dd87c8bbdfe4dbb3d3e5af20b8617eddbe93</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Aluminum</topic><topic>Charge transfer</topic><topic>Chemical analysis</topic><topic>Chemical synthesis</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Doppler effect</topic><topic>Emission analysis</topic><topic>Emission spectra</topic><topic>Inorganic Chemistry</topic><topic>Iron</topic><topic>Molecular docking</topic><topic>Molecular orbitals</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Organic Chemistry</topic><topic>Polymer Sciences</topic><topic>Quantum chemistry</topic><topic>Red shift</topic><topic>Solvents</topic><topic>Titanium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Thirumurugan, C.</creatorcontrib><creatorcontrib>Bharathi, A.</creatorcontrib><creatorcontrib>Kalaivanan, C.</creatorcontrib><creatorcontrib>Guo, Shenghui</creatorcontrib><creatorcontrib>Mohan, A.</creatorcontrib><creatorcontrib>Murugesan, G.</creatorcontrib><creatorcontrib>Samikannu, Prabu</creatorcontrib><creatorcontrib>Lalitha, A.</creatorcontrib><creatorcontrib>Vadivel, P.</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of inorganic and organometallic polymers and materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Thirumurugan, C.</au><au>Bharathi, A.</au><au>Kalaivanan, C.</au><au>Guo, Shenghui</au><au>Mohan, A.</au><au>Murugesan, G.</au><au>Samikannu, Prabu</au><au>Lalitha, A.</au><au>Vadivel, P.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Novel Ti/Al(OH)3 and Fe/Al(OH)3 Nano Catalyzed 4-Acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate Synthesis and its Molecular Docking, Quantum Chemical Studies</atitle><jtitle>Journal of inorganic and organometallic polymers and materials</jtitle><stitle>J Inorg Organomet Polym</stitle><date>2022-07-01</date><risdate>2022</risdate><volume>32</volume><issue>7</issue><spage>2384</spage><epage>2397</epage><pages>2384-2397</pages><issn>1574-1443</issn><eissn>1574-1451</eissn><abstract>A series of novel 4-acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate based chalcone moieties have been synthesized via green chemical Ti/Al(OH)
3
and Fe/Al(OH)
3
nano catalyzed pathway and spectroscopic authentication of these synthesized molecules were interpreted by FT-IR,
1
H-NMR,
13
C-NMR, Mass and elemental analysis. In-silico molecular docking studies of the compounds exhibited excellent binding energy (− 8.06 kcal and − 8.94 kcal) towards the essential requirements of targeted compounds for EGFR receptor bearing quinazoline inhibitor (PDB ID: 1M17(Lapitinib). UV–Vis and fluorescence spectroscopy measurements evidenced that there is a significant effect on the absorption and emission spectra. Cyclic voltammetry (CV) studies reveal that HOMO and LUMO values of the compounds are evidenced that band along with intra molecular charge transfer character (D-π-A). The red shift maxima (500 nm) of the emission spectra in various solvent were increasing with the solvent polarity.
Graphical Abstract</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s10904-022-02245-9</doi><tpages>14</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1574-1443 |
| ispartof | Journal of inorganic and organometallic polymers and materials, 2022-07, Vol.32 (7), p.2384-2397 |
| issn | 1574-1443 1574-1451 |
| language | eng |
| recordid | cdi_proquest_journals_2696689122 |
| source | SpringerLink Journals - AutoHoldings |
| subjects | Aluminum Charge transfer Chemical analysis Chemical synthesis Chemistry Chemistry and Materials Science Doppler effect Emission analysis Emission spectra Inorganic Chemistry Iron Molecular docking Molecular orbitals NMR Nuclear magnetic resonance Organic Chemistry Polymer Sciences Quantum chemistry Red shift Solvents Titanium |
| title | Novel Ti/Al(OH)3 and Fe/Al(OH)3 Nano Catalyzed 4-Acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate Synthesis and its Molecular Docking, Quantum Chemical Studies |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-11T19%3A05%3A40IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Novel%20Ti/Al(OH)3%20and%20Fe/Al(OH)3%20Nano%20Catalyzed%204-Acetamidophenyl%203-((Z)-but-2-enoyl)phenylcarbamate%20Synthesis%20and%20its%20Molecular%20Docking,%20Quantum%20Chemical%20Studies&rft.jtitle=Journal%20of%20inorganic%20and%20organometallic%20polymers%20and%20materials&rft.au=Thirumurugan,%20C.&rft.date=2022-07-01&rft.volume=32&rft.issue=7&rft.spage=2384&rft.epage=2397&rft.pages=2384-2397&rft.issn=1574-1443&rft.eissn=1574-1451&rft_id=info:doi/10.1007/s10904-022-02245-9&rft_dat=%3Cproquest_cross%3E2696689122%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2696689122&rft_id=info:pmid/&rfr_iscdi=true |