ACS Physical Chemistry Au最新文献

Molecular Dynamics Simulations of Self-Assembled E2(SW)6E2 Peptide Nanofibers: Implications for Drug Delivery and Biomimetic Material Design 自组装E2(SW)6E2肽纳米纤维的分子动力学模拟：对药物传递和仿生材料设计的影响

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-05-08 DOI: 10.1021/acsphyschemau.5c0002810.1021/acsphyschemau.5c00028

Karinna Mendanha, and , Guilherme Colherinhas*,

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引用次数: 0

Molecular Dynamics Simulations of Self-Assembled E₂(SW)₆E₂ Peptide Nanofibers: Implications for Drug Delivery and Biomimetic Material Design. 自组装E2(SW)6E2肽纳米纤维的分子动力学模拟：对药物传递和仿生材料设计的影响。

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-05-08 eCollection Date: 2025-05-28 DOI: 10.1021/acsphyschemau.5c00028

Karinna Mendanha, Guilherme Colherinhas

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引用次数: 0

Conductance Measurements of Polar Molecules in a Nonconducting Solvent. 极性分子在非导电溶剂中的电导测量。

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-04-26 eCollection Date: 2025-05-28 DOI: 10.1021/acsphyschemau.5c00021

Clark Otey, Mukund Sharma, Jazmine Prana, Thomas M Czyszczon-Burton, Alejandro Hernandez, María Camarasa-Gómez, Daniel Hernangómez-Pérez, Michael S Inkpen

引用次数: 0

Conductance Measurements of Polar Molecules in a Nonconducting Solvent 极性分子在非导电溶剂中的电导测量

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-04-26 DOI: 10.1021/acsphyschemau.5c0002110.1021/acsphyschemau.5c00021

Clark Otey, Mukund Sharma, Jazmine Prana, Thomas M. Czyszczon-Burton, Alejandro Hernandez, María Camarasa-Gómez*, Daniel Hernangómez-Pérez* and Michael S. Inkpen*,

引用次数: 0

How Can We Reduce the Barriers to Entering New Research Fields? 如何减少进入新研究领域的障碍？

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-03-26 DOI: 10.1021/acsphyschemau.5c0001910.1021/acsphyschemau.5c00019

Gemma C. Solomon*, Tanja Cuk, Jin Z. Zhang and Shelley D. Minteer,

引用次数: 0

How Can We Reduce the Barriers to Entering New Research Fields? 如何减少进入新研究领域的障碍？

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-03-26 DOI: 10.1021/acsphyschemau.5c00019

Gemma C Solomon, Tanja Cuk, Jin Z Zhang, Shelley D Minteer

引用次数: 0

Choreoisosteres: Pseudoatom Variation in Macrocyclic Hinges Conserves Structure and Dynamics. Choreoisosteres：大环铰链中的假原子变异保护了结构和动力学。

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-03-10 eCollection Date: 2025-03-26 DOI: 10.1021/acsphyschemau.4c00103

Alexander J Menke, Joseph H Reibenspies, Casey J Patterson-Gardner, Alexander M Engstrom, R Scott Lokey, Eric E Simanek

引用次数: 0

Choreoisosteres: Pseudoatom Variation in Macrocyclic Hinges Conserves Structure and Dynamics Choreoisosteres：大环铰链中的假原子变异保护了结构和动力学

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-03-10 DOI: 10.1021/acsphyschemau.4c0010310.1021/acsphyschemau.4c00103

Alexander J. Menke, Joseph H. Reibenspies, Casey J. Patterson-Gardner, Alexander M. Engstrom, R. Scott Lokey and Eric E. Simanek*,

引用次数: 0

Preferred Orientation of a Physisorbed Molecular Catalyst and Implications for Selectivity. 物理吸附分子催化剂的择优取向及其选择性意义。

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-03-07 eCollection Date: 2025-05-28 DOI: 10.1021/acsphyschemau.5c00007

Guillaume P Laurent, Samuel L Leonard, Mita Halder, Damien B Culver, Peng Xu, Mark S Gordon, Frédéric A Perras

{"title":"Preferred Orientation of a Physisorbed Molecular Catalyst and Implications for Selectivity.","authors":"Guillaume P Laurent, Samuel L Leonard, Mita Halder, Damien B Culver, Peng Xu, Mark S Gordon, Frédéric A Perras","doi":"10.1021/acsphyschemau.5c00007","DOIUrl":"10.1021/acsphyschemau.5c00007","url":null,"abstract":"Confinement effects in stereoselective catalysis have been the topic of prolonged inquiry. Results have been largely mixed, with confinement having been reported to both enhance and degrade selectivity. Our ability to understand the surface's impact on catalytic mechanisms, and thus selectivity, has been severely hindered by the low level of details commonly seen in the structures of supported metal complexes. Recent developments in sensitivity-enhanced NMR are revealing not only the molecular structure of surface sites but also their configuration, orientation, and proximities to neighboring molecules. In studying [Rh-(cyclooctadiene)-((S)-(-)-2-aminomethyl-1-ethyl-pyrrolidine)]-CF3SO3 noncovalently immobilized to silica, an enantioselective hydrogenation catalyst, we observed a strong preference for a particular orientation of the complex relative to the support surface. We discuss how preferential adsorption may help reduce the number of competing reaction pathways and, in turn, have outsized effects on selectivity.","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 3","pages":"293-301"},"PeriodicalIF":3.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12123549/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144200235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Preferred Orientation of a Physisorbed Molecular Catalyst and Implications for Selectivity 物理吸附分子催化剂的择优取向及其选择性意义

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-03-07 DOI: 10.1021/acsphyschemau.5c0000710.1021/acsphyschemau.5c00007

Guillaume P. Laurent, Samuel L. Leonard, Mita Halder, Damien B. Culver, Peng Xu, Mark S. Gordon and Frédéric A. Perras*,

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引用次数: 0