{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,19]],"date-time":"2026-06-19T06:21:33Z","timestamp":1781850093304,"version":"3.54.5"},"reference-count":39,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2025,9,25]],"date-time":"2025-09-25T00:00:00Z","timestamp":1758758400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,9,25]],"date-time":"2025-09-25T00:00:00Z","timestamp":1758758400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp;amp; Biodiversity"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Inspired by natural quinoline, a series of novel quinoline\u20104\u2010ester derivatives featuring a biphenyl motif were designed and synthesized via six steps. All the target compounds were characterized by\n                    <jats:sup>1<\/jats:sup>\n                    H NMR,\n                    <jats:sup>13<\/jats:sup>\n                    C NMR, and HRMS. These compounds were evaluated for their fungicidal activity in vitro. The fungicidal activity results showed that all 13 compounds in this series had certain fungicidal activity against 10 types of fungus. Compounds\n                    <jats:bold>7a<\/jats:bold>\n                    \u2013\n                    <jats:bold>7c<\/jats:bold>\n                    possessed moderate fungicidal activity (31.3%) against\n                    <jats:italic>Alternaria solani<\/jats:italic>\n                    , whereas compound\n                    <jats:bold>7g<\/jats:bold>\n                    exhibited moderate fungicidal activity (33.3%) against\n                    <jats:italic>Physalospora piricola<\/jats:italic>\n                    . Structure\u2013activity relationships indicated\n                    <jats:italic>ortho<\/jats:italic>\n                    \u2010 or\n                    <jats:italic>meta<\/jats:italic>\n                    \u2010methyl substituents will increase activity. Furthermore, the compound\n                    <jats:bold>7d<\/jats:bold>\n                    was characterized by x\u2010ray diffraction. Hirshfeld surface analysis identified that H\u00b7\u00b7\u00b7H (46.9%), H\u00b7\u00b7\u00b7C (11.7%), and H\u00b7\u00b7\u00b7X (7.3%) interactions are the dominant crystal packing force, whereas density functional theory (DFT) calculations provided the energy gap (\u0394\n                    <jats:italic>E<\/jats:italic>\n                    \u00a0=\u00a04.15\u00a0eV), chemical softness (\n                    <jats:italic>\u03c3<\/jats:italic>\n                    , 0.48) and chemical hardness (\n                    <jats:italic>\u03b7<\/jats:italic>\n                    , 2.07), and electrophilicity index (\n                    <jats:italic>\u03c9<\/jats:italic>\n                    , 7.16) for further optimization.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202502065","type":"journal-article","created":{"date-parts":[[2025,9,25]],"date-time":"2025-09-25T17:31:10Z","timestamp":1758821470000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Synthesis, Crystallographic Study, Hirshfeld Surface Analysis, Energy Frameworks, and DFT Calculation of Quinoline\u20104\u2010Ester Derivatives as Antifungal Agent"],"prefix":"10.1002","volume":"22","author":[{"given":"Ling\u2010Jie","family":"Kong","sequence":"first","affiliation":[{"name":"College of Chemical Engineering Zhejiang University of Technology  Hangzhou China"},{"name":"College of Biology and Environmental Engineering Zhejiang Shuren University  Hangzhou Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xin\u2010Peng","family":"Sun","sequence":"additional","affiliation":[{"name":"College of Chemical Engineering Zhejiang University of Technology  Hangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wei","family":"Yu","sequence":"additional","affiliation":[{"name":"College of Chemical Engineering Zhejiang University of Technology  Hangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li\u2010Jing","family":"Min","sequence":"additional","affiliation":[{"name":"College of Life Science, Zhejiang Key Laboratory of Biology and Ecological Regulation of Crop Pathogens and Insects Huzhou University  Huzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1464-1426","authenticated-orcid":false,"given":"Xing\u2010Hai","family":"Liu","sequence":"additional","affiliation":[{"name":"College of Chemical Engineering Zhejiang University of Technology  Hangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Na\u2010Bo","family":"Sun","sequence":"additional","affiliation":[{"name":"College of Biology and Environmental Engineering Zhejiang Shuren University  Hangzhou Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,9,25]]},"reference":[{"key":"e_1_2_9_2_1","first-page":"8678","article-title":"Novel 5\u2010(Trifluoromethyl)\u20101,2,4\u2010Oxadiazole\u2010Based Pyrimidin\u20104\u2010Ether HDAC Inhibitors for Controlling Rust Disease: Design, Synthesis, Activity and SAR","volume":"73","author":"Liu X. 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