化学•材料最新文献

{"title":"","authors":"Halley M. Lin-Jones, Sharon Chen, Yeonseong Seo, Kelly Q. Pham and Jennifer A. Prescher*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.joc.5c01117","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Ishita Paul, Devadkar Ajitrao Kisan, Soumyadip Dey, Abhijit Sau* and Tarun K. Panda*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.joc.5c01045","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Chun-Hui Zhang, Zhi-Yuan Tao, Fa-Guang Zhang, Jing Nie* and Jun-An Ma*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.joc.5c01067","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Arun Dhurey,  and , Animesh Pramanik*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.joc.5c01150","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Neonatal Exposure to Phthalate and Alternative Plasticizers via Enteral Nutrition.","authors":"Paulien Cleys, Lucas Panneel, Philippe G Jorens, Antonius Mulder, Adrian Covaci","doi":"10.1021/acs.est.5c01584","DOIUrl":"https://doi.org/10.1021/acs.est.5c01584","url":null,"abstract":"<p><p>In the neonatal intensive care unit (NICU), patients receive their nutrients through plastic medical devices (PMDs), which are a potential source of phthalates and alternative plasticizers (APs). The aim of this study was to investigate the contribution of enteral nutrition (EN) by analyzing which phthalates and/or APs were present in 19 PMDs commonly used for enteral nutrition administration, using LC-MS/MS and GC-MS. Further, we quantified the concentrations of phthalates, APs, and their respective metabolites in 35 human milk samples and 23 formula milk samples. Lastly, to assess leaching during clinical use, <i>ex vivo</i> leaching experiments simulated <i>in vivo</i> neonatal EN administration. Tris(2-ethylhexyl) trimellitate (TOTM) and di(2-ethylhexyl) phthalate (DEHP) were the predominant plasticizers in PMDs used for neonatal EN administration, with a maximum mass concentration of 0.45% for both, present in gastric tubes. In formula milk samples, the phthalates diisobutyl phthalate (DiBP), DEHP, diisononyl phthalate (DINP), and diisodecyl phthalate (DIDP), and APs acetyl tributyl citrate (ATBC), di(2-ethylhexyl) adipate (DEHA), and cyclohexane-1,2-dicarboxylic diisononyl ester (DINCH) were detected. Our experiments indicate that formula milk administration by itself, but not the leaching from plastic tubing used for enteral feeding, could expose premature neonates to a cumulative phthalate exposure of up to three times above the DNEL value set by the European Chemical Agency. The low migration potential of TOTM provides opportunities to reduce the exposure.</p>","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":" ","pages":""},"PeriodicalIF":10.8,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144705767","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Excess Polarizability of Single-Stranded DNA Molecules in Solution: A Linear Response Theory in the Polarizable Continuum Model with an Application to Biosensing.","authors":"Roberto Cammi","doi":"10.1021/acs.jpca.5c03229","DOIUrl":"https://doi.org/10.1021/acs.jpca.5c03229","url":null,"abstract":"<p><p>The excess polarizability of a molecular solute describes the interaction energy between a molecular solute and a macroscopic optical field that polarizes the solute itself, as compared to the same interaction process involving solvent molecules. The excess polarizability is involved in the physical mechanism that triggers the signals in the whispering gallery mode (WGM), a biosensing technique (denoted as WGM) for detecting biomolecules. The interpretation of the WGM signals requires information on the excess polarizability of the biomolecule of interest, which, until now, could be obtained from experimental measurements of the refractive index of solutions. Here, we present a quantum chemical theory for determining the excess polarizability using the effective linear response theory in the polarizable continuum model (PCM-eLRT) for solvation. As a proof-of-concept, the PCM-eLRT is applied at the TD-DFT level of electronic structure methodology to the calculation of the excess polarizability of single-stranded DNA molecules constituted up to 14-mer oligonucleotides, showing remarkable agreement with available experimental data.</p>","PeriodicalId":59,"journal":{"name":"The Journal of Physical Chemistry A","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144705806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Jimin Moon,&nbsp; and ,&nbsp;Taeho Lee*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.joc.5c01200","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"João V. R. Gonçalves,&nbsp;Ricardo M. Carvalho,&nbsp;Jéssica Macedo,&nbsp;Paloma Gonçalves,&nbsp;Inês Bártolo,&nbsp;Américo J. S. Alves,&nbsp;José A. Paixão,&nbsp;Nuno Taveira and Teresa M. V. D. Pinho e Melo*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.joc.5c00743","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Norein Sakander,&nbsp;Shweta Gulabchand Gadecha,&nbsp;Irshad Ahmad Zargar,&nbsp;Narendra Nath Ghosh and Debaraj Mukherjee*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.joc.5c00195","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Yuxuan Han,&nbsp;Zhe Lv,&nbsp;Xiaoting Chen,&nbsp;Yadong Feng and Xiuling Cui*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.joc.5c01090","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696345","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}