SPECTROSCOPIC

作品数:522被引量:588H指数:9
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相关领域:理学更多>>
相关作者:陈学元林泽森张冰冰赵志江凌更多>>
相关机构:中国科学院复旦大学重庆邮电大学吉林大学更多>>
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相关基金:国家自然科学基金国家重点基础研究发展计划国家高技术研究发展计划中国博士后科学基金更多>>
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Monitoring C-C coupling in catalytic reactions via machine-learned infrared spectroscopy
《National Science Review》2025年第2期171-179,共9页Li Yang Zhicheng Zhao Tongtong Yang Donglai Zhou Xiaoyu Yue Xiyu Li Yan Huang Xijun Wang Ruyun Zheng Thomas Heine Changyin Sun Jun Jiang Sheng Ye 
supported by the National Natural Science Foundation of China(21803063,22003060,22203001,22025304,22033007,62236002,61921004 and 62306005);the Natural Science Foundation of Anhui Province(2308085MB47,2208085Y04 and 2208085QF192);Anhui Provincial Department of Education university natural science research project(2024AH050070);the Innovation Program for Quantum Science and Technology(2021ZD0303303);the CAS Project for Young Scientists in Basic Research(YSBR-005);the University Synergy Innovation Program of Anhui Province(GXXT-2022-062);Sol2H2 project of the European Union’s Horizon 2020 research and innovation programme(101031846).
Tracking atomic structural evolution along chemical transformation pathways is essential for optimizing chemical transitions and enhancing control.However,molecule-level knowledge of structural rearrangements during c...
关键词:chemical evolution machine learning spectroscopic descriptor dynamic monitoring catalytic reaction 
Study on the evaluation method of polymerisation degree based on Raman spectroscopic plot
《High Voltage》2024年第4期794-804,共11页Zhuang Yang Weigen Chen Zhixian Yin Dingkun Yang 
Joint Funds of the National Natural Science Foundation of China,Grant/Award Number:U1766217。
In order to achieve accurate quantitative evaluation of the ageing state of oil paper insulation,an evaluation method of polymerisation degree(DP)of oil-paper insulation based on Raman spectroscopic plot is presented....
关键词:INSULATION SPECTROSCOPIC prediction 
Interaction of hispidin with pepsin:Multi-spectroscopic analyses and docking simulation
《Food and Health》2024年第1期21-27,共7页Wen-Qiang Wang Si-Hua Fan Xin-Huai Zhao Li Wang Ming-Hui Zhang Qiang Zhang Xue-Jun Gao 
This work was financially assisted by the Natural Science Foundation of Guangdong Province(2021A1515010615,2022A1515012520);Special Fund for Science and Technology Innovation Strategy of Guangdong Province(2021S0052,2022DZXHT015,2023S003040,2023S002024,2022S035);Projects of Talents Recruitment of GDUPT(519030).
Hispidin is a pyranone compound found in edible and medicinal mushrooms of the Phellinus and Inonotus genera.This investigation used fluorescence spectroscopy,UV absorption spectroscopy,and molecular docking to examin...
关键词:hispidin PEPSIN SPECTROSCOPY molecular docking 
Spectroscopic Electrochemical Properties and DFT Calculation of 1-Aryltriazenes
《International Journal of Organic Chemistry》2023年第4期109-128,共20页Insa Seck Mohamed Lamine Sall Atoumane Ndiaye Samba Fama Ndoye Lalla Aïcha Ba Matar Seck 
Electrochromic materials are of great interest for their potential in eyewear protection and data storage devices, as they change colors in response to electrochemical switching. While many of the systems currently us...
关键词:TRIAZENES UV-Visible Spectroscopy ELECTROCHEMICAL DFT Calculations 
Spectroscopic identification of water splitting by neutral group 3 metals
《Chinese Chemical Letters》2023年第11期338-341,共4页Shuai Jiang Huijun Zheng Wenhui Yan Tiantong Wang Chong Wang Ya Zhao Hua Xie Gang Li Xiucheng Zheng Hongjun Fan Ling Jiang 
the Dalian Coherent Light Source (DCLS) for support and assistance;supported by the National Key Research and Development Program of China (No.2021YFA1400501);the National Natural Science Foundation of China (Nos.22125303,92061203,92061114,21976049,22103082,22273101 and 22288201);the Youth Innovation Promotion Association of the Chinese Academy of Sciences (CAS)(No.2020187);Innovation Program for Quantum Science and Technology (No.2021ZD0303304);CAS (No.GJJSTD20220001);Dalian Institute of Chemical Physics (No.DICP DCLS201702);International Partnership Program of CAS (No.121421KYSB20170012);K.C.Wong Education Foundation (No.GJTD-2018-06).
Spectroscopic study of water splitting by neutral metal clusters is crucial to understanding the microscopic mechanism of catalytic processes but has been proven to be a challenging experimental target due to the diff...
关键词:Water splitting CLUSTER Group 3 metals Infrared spectroscopy Quantum chemical calculations 
Photoelectron imaging spectroscopic signatures of CO activation by the heterotrinuclear titanium-nickel clusters
《Chinese Chemical Letters》2023年第6期567-571,共5页Jianpeng Yang Jumei Zhang Shihu Du Gang Li Jinghan Zou Qiangshan Jing Hua Xie Ling Jiang 
supported by the National Natural Science Foundation of China(Nos.21873097,22103082,92061203,22125303 and 22288201);the Youth Innovation Promotion Association of the Chinese Academy of Sciences(CAS,No.2020187);the Strategic Priority Research Program of CAS(No.XDB17000000)。
A series of heterotrinuclear Ti_(2)Ni(CO)_(n)^(-)(n=6-9)carbonyls have been generated via a laser vaporization supersonic cluster source and characterized by mass-selected photoelectron velocity-map imaging spectrosco...
关键词:CO activation Transition metal carbonyl Heteronuclear cluster Photoelectron imaging Quantum chemical calculations 
Infrared-active phonons in one-dimensional materials and their spectroscopic signatures
《npj Computational Materials》2023年第1期331-337,共7页Norma Rivano Nicola Marzari Thibault Sohier 
We acknowledge funding from the Swiss National Science Foundation(SNSF)and its National Centre of Competence in Research MARVEL on“Computational Design and Discovery of Novel Materials”(grant number 182892,N.R.,N.M.).We acknowledge computational support from the Swiss National Supercomputing Centre CSCS under project ID mr24.Fruitful discussions with Anna Fontcuberta i Morral and Francesco Libbi are also gratefully acknowledged.
Dimensionality provides a clear fingerprint on the dispersion of infrared-active,polar-optical phonons.For these phonons,the local dipoles parametrized by the Born effective charges drive the LO-TO splitting of bulk m...
关键词:DIMENSIONAL SPLITTING dielectric 
Simultaneous binding of folic acid and lutein to β-lactoglobulin and α-lactalbumin: A spectroscopic and molecular docking study
《Food Bioscience》2022年第6期973-981,共9页Danilo C.Vidotto Guilherme M.Tavares 
financed by the S˜ao Paulo Research Foundation(FAPESP)(Grants 2017/09214-4 and 2018/09304-6);The authors thank the Food Chemistry Laboratory(FEA/UNICAMP)for chromatographic analysis(FAPESP multiuser equipment:grants 2018/03822-5 and 2018/23752-1);Also,this research used facilities of the Brazilian Biorenewables National Laboratory(LNBR),part of CNPEM as well.The Macromolecules facility staff is acknowledged for the assistance during CD experiments(proposal MAC-28004).
Whey proteins are versatile molecules with great nutritional value and multiple functionalities. One of these functionalities is the ability to bind and protect bioactive compounds. Lutein and folic acid (FA) are bioa...
关键词:Whey proteins Multi-binding Folic acid LUTEIN Fluorescence quenching Molecular modeling 
In-Situ Synchrotron Radiation Infrared Spectroscopic Identification of Reactive Intermediates over Multiphase Electrocatalytic Interfaces被引量:2
《Chinese Journal of Structural Chemistry》2022年第10期4-15,共12页Wanlin Zhou Jingjing Jiang Weiren Cheng Hui Su Qinghua Liu 
supported by the National Natural Science Foundation of China (Nos. 1932212, U1932109, 11875257)。
A comprehensive understanding of the microscopic reaction mechanisms at the gas-solid-liquid electrochemical interfaces is urgently required for the development of advanced electrocatalysts applied in burgeoning susta...
关键词:synchrotron radiation infrared spectroscopy IN-SITU reaction dynamics 
Isosteroidal Alkaloids from Fritillaria verticillata Willd. and Their NMR Spectroscopic Characteristics
《Chinese Journal of Chemistry》2022年第16期1945-1956,共12页Nan Ma Ya-Jing Wang Gang Chen Chu-Ren Meng Chun-Lin Guo Yong-Fu Lu Si-Yang Dai Si-Xuan Liu Yong-Fu Li Chang Li Yue-Hu Pei 
Chemical investigation of Fritillaria verticillata Willd.led to the isolation of eight novel isosteroidal alkaloids(1—4,6,9—11)and four known alkaloids(5,7—8,12),including three unprecedented cis-fused D/E(13α,17...
关键词:ALKALOIDS Fritllaria Structure elucidation Spectroscopic characteristics INFLAMMATORY 
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