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Early Stage Solvation of Protonated Methanol by Carbon Dioxide

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Chinese Journal of Chemical Physics 2015年第4期28卷 -页

作者： Zhi Zhao Xiang-tao Kong Xin Lei bing-bing zhang Ji-jun Zhao Ling Jiang Key Laboratory of Materials Modification by Laser Ion and Electron Beams Dalian University of Technology Ministry of Education Dalian 116024 ChinaState Key Laboratory of Molecular Reaction Dynamics Collaborative Innovation Center of Chemistry for Energy and Materials Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 China State Key Laboratory of Molecular Reaction Dynamics Collaborative Innovation Center of Chemistry for Energy and Materials Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 China State Key Laboratory of Molecular Reaction Dynamics Collaborative Innovation Center of Chemistry for Energy and Materials Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 ChinaState Key Laboratory of Fine Chemicals Dalian University of Technology Dalian 116024 China Key Laboratory of Materials Modification by Laser Ion and Electron Beams Dalian University of Technology Ministry of Education Dalian 116024 China

The solvation of protonated methanol by carbon dioxide has been studied via a cluster model. Quantum chemical calculations of the H+(CH3OH)(CO2)n (n=1–7) clusters indicate that the first solvation shell of the OH groups is completed at n=3 or 4. Besides hydrogen-bond interaction, the CCO2 ⋯ OCO2 intermolecular interaction is also responsible for the stabilization of the larger clusters. The transfer of the proton from methanol onto CO2 with the formation of the OCOH+ moiety might be unfavorable in the early stage of solvation process. Simulated IR spectra reveal that vibrational frequencies of free O–H stretching, hydrogen-bonded O–H stretching, and O–C–O stretching of CO2 unit afford the sensitive probe for exploring the solvation of protonated methanol by carbon dioxide. IR spectra for the H+(CH3OH)(CO2)n (n=1–7) clusters could be readily measured by the infrared photodissociation technique and thus provide useful information for the understanding of solvation processes.

关键词： Methanol Carbon dioxide Solvation Infrared photodissociation spectroscopy Quantum chemical calculation

Novel Receptor for the Rapid Reaction and Colorimetric Detection of HSO3- in Aqueous Solutions

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Chemical Research in Chinese Universities 2013年第2期29卷 236-238页

作者： YANG Wen-long LI Qiao WEI Tai-bao zhang You-ming LIN Qi SHI bing-bing zhang Peng Key Laboratory of Eco-Environment-Related Polymer Materials Ministry of Education of China" Key Laboratory ofPolymer Materials of Gansu Province College of Chemistry and Chemical Engineering Northwest Normal University Lanzhou 730070 P. R. China

A novel high-yield Schiff base was designed and synthesized as an anion receptor that specifically select HSO3 anions in aqueous solutions of H20/DMSO（15：85, volume ratio）, which can be detected via colorimetry under direct visualization. The sensor exhibited different results for other anions, such as F, CI, Br, I-, H2PO4-, AcO-, HSO4 and C104. The changes in the UV-Vis spectra also show the specific recognition of HSO3 , rather than similar anions H2PO4- and HSO4- in the same aqueous solution. The detection limit of HSO3- was 1×10-6 mol/L.

关键词： Bisulfite anion sensor 2-Aminobenzimidazole Aqueous solution Single recognition Colorimetry

ZnGa_(2)S_(4):an infrared nonlinear optical material with large second-harmonic generation response and wide band gap

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Rare Metals 2024年第1期43卷 395-401页

作者： Chen-Yang zhang Xiao-Nan Niu Yan-Feng Wei Shu-Xing Zhou Da-Qing Yang Ying Wang Jian Wang bing-bing zhang College of Chemistry and Materials Science Key Laboratory of Medicinal Chemistry and Molecular Diagnosis of the Ministry of EducationState Key Laboratory of New Pharmaceutical Preparations and ExcipientsHebei UniversityBaoding 071002China Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices Hubei University of Arts and ScienceXiangyang 441053China Hubei Longzhong Laboratory Xiangyang 441000China Department of Chemistry and Biochemistry Wichita State UniversityKansas 67260USA

High-performance nonlinear optical(NLO)crystals are crucial devices to convert wavelength of solid-state *** play an indispensable role in the research of infrared NLO *** this work,ternary chalcogenide ZnGa_(2)S_(4) ... 详细信息

关键词： optical nonlinear harmonic

Pancreatic schwannoma: Imaging features and pathological findings

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Hepatobiliary & Pancreatic Diseases International 2020年第2期19卷 200-202页

作者： Han Wang bing-bing zhang Shen-Fan Wang Jing-Jiao Zhong Jian-Ming Zheng Huan Han Department of Pathology Eastern Hepatobiliary Surgery HospitalSecond Military Medical UniversityShanghai 200438China Department of Pathology Changhai HospitalSecond Military Medical UniversityShanghai 200433China Department of Urology Changhai HospitalSecond Military Medical UniversityShanghai 200433China Department of Imaging Changhai HospitalSecond Military Medical UniversityShanghai 200433China

To the Editor:Schwannoma is an infrequent tumor originating from Schwann cells of the peripheral nerve sheath and was first reported as a true neoplasm originating from Schwann cells in 1910 [1] . The ma- jority of schwannomas are detected as a solitary tumor from the peripheral nerves of the face, neck, trunk, extremities, or retroperi- toneal region. Based on a previous study [2] , merely 3% of schwan- nomas are retroperitoneal, accounting for approximately 4% of all retroperitoneal tumors. Furthermore, pancreatic schwannomas that stem from either parasympathetic or sympathetic fibers of the pancreas are especially rare. Schwannomas are generally encapsu- lated, and over 90% are benign [3] . Considering its benign biolog- ical behavior, it is essential to accurately diagnose schwannomas in order to apply reasonable surgical methods and postoperative surveillance. Herein, we report four cases of pancreatic schwan- noma in our center to update the data on the clinicopathological traits about this type of tumor.

关键词： nerves pathological finding

Kinesin-microtubule interaction reveals the mechanism of kinesin-1 for discriminating the binding site on microtubule

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Chinese Physics B 2023年第10期32卷 738-748页

作者：耿轶钊鲁丽爱贾宁张冰冰纪青 School of Science Hebei University of TechnologyTianjin 300401China Institute of Biophysics Hebei University of TechnologyTianjin 300401China

Microtubule catalyzes the mechanochemical cycle of kinesin,a kind of molecular motor,through its crucial roles in kinesin's gating,ATPase and force-generation *** functions of microtubule are realized through the kinesin-microtubule *** binding site of kinesin on the microtubule surface is *** most of the kinesin-family members,the binding site on microtubule is in the groove betweenα-tubulin andβ-tubulin in a *** mechanism of kinesin searching for the appropriate binding site on microtubule is still *** the molecular dynamics simulation method,we investigate the interactions between kinesin-1 and the different binding positions on *** key non-bonded interactions between the motor domain and tubulins in kinesin's different nucleotide-binding states are *** differences of the amino-acid sequences betweenα-andβ-tubulins make kinesin-1 binding to theα–βgroove much more favorable than to theβ–α*** these results,a two-step mechanism of kinesin-1 to discriminate the correct binding site on microtubule is *** of the kinesin-family members have the conserved motor domain and bind to the same site on microtubule,the mechanism may also be shared by other family members of kinesin.

关键词： kinesin tubulin microtubule molecular dynamics simulation

Meta-analysis for the Association of Apolipoprotein E ε2/ε3/ε4 Polymorphism with Coronary Heart Disease

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Chinese Medical Journal 2015年第10期128卷 1391-1398页

作者： Yong zhang Hai-Qin Tang Wen-Jia Peng bing-bing zhang Ming Liu Department of Cardiovascular Disease First Affiliated Hospital of Anhui Medical University Hefei Anhui 230022 China Department of Preventive Medicine Bengbu Medical College Bengbu Anhui 233030 China

Background：Coronary heart disease （CHD） is a multifactorial disease and is thought to have a polygenic *** E （APOE） gene is one such candidate with its common ε2/ε3/ε4 polymorphism in *** recent years,numerous case-control studies have investigated the relationship ofAPOE polymorphism with CHD ***,the results are ***：To clarify this point,we undertook a meta-analysis based on 14 published studies including 5746 CHD cases and 19,120 *** odds ratios （ORs） with 95% confidence intervals （CIs） were assessed for association using a random-effects or fixed-effects model using STATA version 10 （StataCorp LP,College Station,TX,USA）.Results：Overall,the analysis showed that carriers of APOE ε2 allele decreased risk for CHD （ε2 allele vs.ε3 allele：OR =0.82,95% CI：0.75-0.90,P 〈 0.001;ε2 carriers vs.ε3 carriers：OR =0.81,95% CI：0.73-0.89,P 〈 0.001）,compared with those carrying ε3 allele,especially in Caucasian ***,those with ε4 allele had a significant increased risk for CHD （ε4 allele vs.ε3 allele：OR =1.34,95% CI：1.15-1.57,P 〈 0.001）,especially in Mongoloid *** publication bias was observed in the genetic model of ε4 versus ε3,but the results might not be affected deeply by the publication *** we accounted for publication bias using the trim and fill method,the results were not materially alerted,suggesting the stability of our ***：Taken together,our meta-analysis supported a genetic association between APOE gene and CHD.ε4 increased the risk of CHD,whereas ε2 decreased the risk of CHD

关键词： Apolipoprotein E Coronary Heart Disease Meta-analysis Polymorphism

Reveal short range interactions between u/d quarks in the NN,D_(03),and D_(30)systems

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Science China(Physics,Mechanics & Astronomy) 2025年第3期68卷 102-111页

作者： Qi-Fang Lü Yu-bing Dong Peng-Nian Shen Zong-Ye zhang Department of Physics Hunan Normal UniversityChangsha410081China Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education Changsha410081China Key Laboratory for Matter Microstructure and Function of Hunan Province Hunan Normal UniversityChangsha410081China Institute of High Energy Physics Chinese Academy of SciencesBeijing100049China School of Physical Sciences University of Chinese Academy of SciencesBeijing101408China

The dynamic mechanism of short range interactions between u/d quarks remains an open and challenging *** order to reveal this quark dynamics,we perform a systematic analysis of N N,D_(03),and D_(30)systems in the(extended)chiral SU(3)constituent quark *** comparing results calculated with different models and different parameter sets,the effects of one gluon exchange and vector meson exchange terms are carefully *** results indicate that the vector meson exchange interactions dominate the short range interactions between u/d quarks,whereas the small residual one gluon exchange coupling strength is also allowed.

关键词： short range interactions dibaryons constituent quark models

Coating colloidal particles with a well-defined polymer layer by surface-initiated photoinduced polymerization-induced self-assembly and the subsequent seeded polymerization

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Chinese Chemical Letters 2025年第2期36卷 213-217页

作者： bing Niu Honggao Huang Liwei Luo Li zhang Jianbo Tan Department of Polymeric Materials and Engineering School of Materials and EnergyGuangdong University of Technology Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter

Core-shell colloidal particles with a polymer layer have broad applications in different ***,we developed a two-step method combining aqueous surface-initiated photoinduced polymerization-induced self-assembly and photoinduced seeded reversible addition-fragmentation chain transfer (RAFT) polymerization to prepare a diverse set of core-shell colloidal particles with a well-defined polymer *** compositions,structures,and thicknesses of polymer layers could be conveniently regulated by using different types of monomers and feed[monomer]/[chain transfer agent]ratios during seeded RAFT polymerization.

关键词： Core-shell colloidal particles Photoinduced polymerization-induced self-assembly RAFT polymerization Seeded polymerization Surface-initiated polymerization

The Analysis of a Vibrator Oil-stirring Phnomenon and Study on a New Structure

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International Journal of Plant Engineering and Management 2012年第3期17卷 178-181页

作者： HAN bing-bing zhang Gong-xue Shaanxi University of Science and Technology College of Mechanical and Electrical Engineering Xi′an 710021 P.R.China

The deep vibrator is an important equipment of foundation improvement. It works through eccentric masses with high-speed. But the traditional eccentric structure will stir the oil around it, and it will result in the loss of motor power. The paper analyzed the stirring phenomenon, and got the level and specific data of stirring and swirling through fluent software. After principle analysis, a new type of anti-churning eccentric structure was put forward, which can effectively avoid stirring phenomenon. Otherwise, the new structure will also not produce irregular vibration because of swirling, then it can work with a better performance. In addition, the contrast of dynamic performance between a traditional and new structure was carried out in the paper and proved that the new structure has a better working performance. Modeling data in the paper is from surveying and mapping, so the conclusion can be taken as guidance for vibrator designing.

关键词： vibrator eccentric weight oil stirring fluent dynamic properties