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Constant-Volume Heat Capacity of Mixed Supercritical Fluids and molecular interaction in the Systems

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Chinese Chemical Letters 1999年第10期10卷 873-874页

作者： Lei SHI Xi Feng ZHANG Xiao Gang ZHANG Bu Xing HAN Guan Ying YANG Hai Ke YAN(Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080) Institute of Chemistry Chinese Academy of Sciences Beijing 100080 China

Constant-volume heat capacities of supercritical (SC) CO2, SC CO2-n-pentane, and SC CO2-n-heptane mixtures were determined at 308.15 K in the pressure range from 6 to 12 MPa. It was found that there is a maximum in ea... 详细信息

关键词： constant-volume heat capacity mixed supercritical fluids molecular interaction

Surfactant-assisted crystallization of lysozyme and its mechanism

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Particuology 2024年第7期90卷 199-208页

作者： Yujie Song Rongfei Ren Min Su Zhihan Liang Qi Hao School of Chemical Engineering Hebei University of TechnologyTianjin 300130China

Surfactants were used to assist in the crystallization of *** types of surfactants with different structures(sodium dodecyl sulfate,cetyltrimethylammonium bromide,or betaine hydrochloride[BH])were *** study indicated that three surfactants were all capable of shortening the crystallization induction time of lysozyme,with BH inducing the shortest crystallization induction time(t=1 min)and the largest crystal size(37μm).The molecular interactions among each of the three surfactants aforementioned and lysozyme were also investigated by *** was found that hydrogen bonding dominantly acted between the carboxyl structure of the surfactant BH and the lysozyme,which produced the most favorable conformation for the self-assembly of lysozyme(promote lysozyme orderly aggregation and shorten the crystallization induction time).On this basis,the mechanism of surfactant-promoted lysozyme crystallization was proposed.

关键词： Protein Crystallization Surfactant Lysozyme molecular interaction Mechanism

Transport of Propylene Carbonate-LiTFSI Electrolytes in P(VDF-HFP)Using Time-resolved ATR-FTIR Spectroscopy:Diffusion Coefficients and molecular interactions

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Chinese Journal of Polymer Science 2021年第8期39卷 975-983,I0005页

作者： Hui-Xian Li Lei Hou Pei-Yi Wu National Engineering Research Center for Dyeing and Finishing of Textiles College of ChemistryChemical Engineering and BiotechnologyDonghua UniversityShanghai 201620China

The time-resolved attenuated total reflectance-Fourier transform infrared(ATR-FTIR)spectroscopy is employed to investigate the transport mechanism of gel electrolytes by monitoring the diffusion behavior of propylene carbonate-lithium bis(trifluoromethylsulfonyl)imide(PC-LiTFSI)solution through poly(vinylidene fluoride-co-hexafluoropropylene)(P(VDF-HFP))*** behavior has been observed for both TFSr and *** temperature leads to faster diffusion of TFSI'and PC,which could be related to the increased free volume in P(VDF-HFP)matrix and rapid molecular movements upon *** molecular interactions among LiTFSI,PC and P(VDF-HFP)have been *** the diffusion process,PC molecules,in the form of small clusters,can firstly diffuse through the P(VDF-HFP)film and interact with P(VDF-HFP)by dipole-dipole interaction,acting as the ***,Li+diffuses into P(VDF-HFP)with the help of ion-dipole interactions between Li+and C=0 of ***,TFSI-diffuses through the polymer matrix in solvation *** addition,slight ion-dipole interactions between Li+and P(VDF-HFP)have been observed as *** in this work contribute to a better understanding of transport process in gel polymer electrolytes for lithium-ion batteries and support the development of improved gel polymer electrolytes by rationally regulating molecular interactions.

关键词： ATR-FTIR spectroscopy Gel polymer electrolyte Transport mechanism molecular interaction Diffusion coefficient

Manipulating Zn^(2+)solvation environment in poly(propylene glycol)-based aqueous Li^(+)/Zn^(2+)electrolytes for high-voltage hybrid ion batteries

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Carbon Energy 2023年第12期5卷 125-136页

作者： Hang Lu Sheng Zheng Lu Wei Xiaodong Zhang Xin Guo State Key Laboratory of Material Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhanChina

Compared with aqueous single-ion batteries,rechargeable aqueous hybrid ion batteries,especially Li^(+)/Zn^(2+)hybrid ion batteries,are receiving extensive interest owing to their low cost,high operating voltage,and energy ***,their working voltage and lifespan are limited by the decomposition of water and the growth of Zn ***,detrimental side reactions induced by the water reduction and the Zn dendrite growth are successfully suppressed by a poly(propylene glycol)(PPG)-based hybrid ion electrolyte[(1 m Zn(TFSI)2+10 m LiTFSI)in PPG/H2O].The addition of PPG in the electrolyte can not only enhance the bonding strength of hydrogen-bond in water but also tailor the solvation sheath of Zn2+as revealed by synchrotron *** participated solvation of PPG with Zn^(2+)can weaken Zn-H_(2)O interactions and redistribute Zn^(2+)flux on the surface of the Zn anode,thus inducing favorably even deposition of *** addition,the decomposition of TFSI-contributes a ZnF_(2)-enriched solid electrolyte interface at the Zn anode to further prevent water decomposition and restrain Zn *** PPG-based electrolyte enables 2.1 V LiMnO_(2)//Zn batteries to deliver high specific capacities(121.7 mAh g^(-1)for a coin cell and 90 mAh g^(-1)for a pouch cell),and maintain 80%of the capacity over 700 cycles at 0.5 C,suggesting a promising pathway for highly reversible aqueous hybrid ion batteries.

关键词： high voltage aqueous electrolyte hybrid ion battery molecular interaction poly(propylene glycol) zinc metal anode

Self-assembly process of organic small molecular gel and its molecular mechanism

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Particuology 2023年第1期72卷 122-133页

作者： Yingjie Ma Na Wang Xin Huang Ting Wang Lina Zhou Xin Li Xiongtao Ji Yihan Zhao Hongxun Hao National Engineering Research Center of Industrial Crystallization Technology School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Collaborative Innovation Center of Chemical Science and Engineering(Tianjin) Tianjin 300072China School of Chemical Engineering and Technology Hainan UniversityHaikou 570228China

Gel is a very diverse system that has pervaded our everyday life in a variety of forms. However, the mechanism of gel formation remains ambiguous. To better understand the mechanism of gel formation, cefpiramide was selected as model compound to investigate gel formation from molecular level, with the help of experimental research and molecular dynamics simulations. Dynamic light scattering was used to detect the process of the formation of fiber aggregates by the molecules in the gel process. The results indicated that in the process of low molecular weight gels, the molecules coalesce to form a fibrous network structure to wrap the liquid. Attenuated Total Reflectance Fourier Transform Infrared spectrometer and Raman spectroscopy were employed to explore the solute–solute and solute–solvent interactions, which indicated that the solvent molecules (formamide molecules) played a key role in the process of gel formation and the solute–solute interactions played a leading role. Finally, molecular dynamics simulations were employed to reveal the molecular mechanism of gel formation from molecular level.

关键词： Cefpiramide Gel Self-assembly process molecular interaction

The complexation of insulin with sodium N-[8-(2-hydroxybenzoyl)amino]-caprylate for enhanced oral delivery:Effects of concentration, ratio, and pH

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Chinese Chemical Letters 2022年第4期33卷 1889-1894页

作者： Huixian Weng Lefei Hu Lei Hu Yihan Zhou Aohua Wang Ning Wang Wenzhe Li Chunliu Zhu Shiyan Guo Miaorong Yu Yong Gan School of Chinese Materia Medica Nanjing University of Chinese MedicineNanjing 210046China State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China School of Pharmacy Nanjing University of Chinese MedicineNanjing 210023China Nano Science and Technology Institute University of Science and Technology of ChinaNanjing 215123China University of Chinese Academy of Sciences Beijing 100049China NMPA Key Laboratory for Quality Research and Evaluation of Pharmaceutical Excipients National Institutes for Food and Drug ControlBeijing 100050China

Permeation enhancers(PEs),such as N-[8-(2-hydroxybenzoyl)amino]-caprylate(SNAC),have been reported to improve the oral absorption of various ***,the bioavailabilities of these formulations are quite low and variable due to the influences of enzymes,pH and other gastrointestinal *** this study,we revealed that SNAC could interact with insulin to form tight complexes in a specific concentration(insulin≥ 40μg/mL)-,ratio(SNAC/insulin≥ 20:1)-and pH(≥ 6.8)-dependent manner,thus contributing to a significantly high efficacy of oral insulin ***,absorption mechanism studies revealed that the SNAC/insulin complexes were internalized into the cells by passive diffusion and remained intact when transported in the ***,the complexes accelerated the exocytosis of insulin to the basolateral side,thereby enhancing its intestinal mucosal ***;S100-entrapped SNAC/insulin microspheres were then prepared and exhibited an apparent permeability coefficient(P;) that was 6,6-fold higher than that of the insulin *** diabetic rats,hypoglycemic activity was sustained for more than 10 h after the microspheres were loaded into entericcoated *** pharmacokinetic studies revealed an approximately 6.3% oral bioavailability in both the fasted and fed states,indicating a negligible food ***,this study provides insight into the interaction between PEs and payloads and presents an SNAC-based oral insulin delivery system that has high oral bioavailability and patient-friendly medication guidance.

关键词： Oral insulin delivery Permeation enhancer SNAC Absorption mechanism molecular interaction

Challenges of polymer electrolyte with wide electrochemical window for high energy solid-state lithium batteries

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InfoMat 2023年第3期5卷 102-133页

作者： Sida Huo Li Sheng Wendong Xue Li Wang Hong Xu Hao Zhang Xiangming He School of Materials Science and Engineering University of Science and Technology BeijingBeijingthe People's Republic of China Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijingthe People's Republic of China

With the rapid development of energy storage technology,solid-state lithium batteries with high energy density,power density,and safety are considered as the ideal choice for the next generation of energy storage *** electrolytes have attracted considerable attention as key components of solid-state *** with inorganic solid electrolytes,solid polymer electrolytes have better flexibility,machinability,and more importantly,better contact with the electrode,and low interfacial ***,its low ionic conductivity,narrow electrochemical stability window(ESW),and poor mechanical properties at room temperature limit its development and practical *** recent years,many studies have focused on improving the ionic conductivity of polymer electrolytes;however,few systematic studies and reviews have been conducted on their ESWs.A polymer electrolyte with wide electrochemical window will aid battery operation at a high voltage,which can effectively improve their energy ***,their stability toward lithium metal anode is also ***,this review summarizes the recent progress of solid polymer electrolytes on the ESW,discusses the factors affecting ESW of polymer electrolytes,and analyzes a strategy to broaden the window from the perspective of molecular interaction,polymer structural design,and interfacial *** development trends of polymer electrolytes with wide electrochemical windows are also presented.

关键词： electrochemical stability window molecular interaction solid polymer electrolyte structural design

Single‑Atom Cobalt‑Based Electrochemical Biomimetic Uric Acid Sensor with Wide Linear Range and Ultralow Detection Limit

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Nano-Micro Letters 2021年第1期13卷 99-111页

作者： Fang Xin Hu Tao Hu Shihong Chen Dongping Wang Qianghai Rao Yuhang Liu Fangyin Dai Chunxian Guo Hong Bin Yang Chang Ming Li Institute of Materials Science and Devices Suzhou University of Science and TechnologySuzhou 215009People’s Republic of China Institute for Advanced Cross‑field Science and College of Life Science Qingdao UniversityQingdao 200671People’s Republic of China Institute for Clean Energy and Advanced Materials School of Materials and EnergySouthwest UniversityChongqing 400715People’s Republic of China School of Chemistry and Chemical Engineering Southwest UniversityChongqing 400715People’s Republic of China Suzhou Institute of Biomedical Engineering and Technology Chinese Academy of SciencesSuzhou 215163People’s Republic of China State Key Laboratory of Silkworm Genome Biology College of BiotechnologySouthwest UniversityChongqing 400715People’s Republic of China

Uric acid(UA)detection is essential in diagnosis of arthritis,preeclampsia,renal disorder,and cardiovascular diseases,but it is very challenging to realize the required wide detection range and low detection *** present here a single-atom catalyst consisting of Co(Ⅱ)atoms coordinated by an average of 3.4 N atoms on an N-doped graphene matrix(A-Co-NG)to build an electrochemical biomimetic sensor for UA *** A-Co-NG sensor achieves a wide detection range over 0.4-41,950μM and an extremely low detection limit of 33.3±0.024 nM,which are much better than previously reported sensors based on various nanostructured ***,the A-Co-NG sensor also demonstrates its accurate serum diagnosis for UA for its practical *** of experimental and theoretical calculation discovers that the catalytic process of the A-Co-NG toward UA starts from the oxidation of Co species to form a Co^3+-OH-UA*,followed by the generation of Co^3+-OH+^*UA_H,eventually leading to N-H bond dissociation for the formation of oxidized UA molecule and reduction of oxidized Co^3+to Co^2+for the regenerated *** work provides a promising material to realize UA detection with wide detection range and low detection limit to meet the practical diagnosis requirements,and the proposed sensing mechanism sheds light on fundamental insights for guiding exploration of other biosensing processes.

关键词： Single-atom cobalt Nanozyme Biocatalysis Uric acid molecular interaction

Volumetric, Ultrasonic and Transport Properties of Binary Liquid Mixtures Containing Dimethyl Formamide at 303.15 K

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Chinese Journal of Chemistry 2007年第1期25卷 32-43页

作者： SYAMALA, Vardhana RAJA SEKHAR, Damaramadugu SIVA KUMAR, Kasibhatta VENKATESWARLU, Ponneri Thermochemical Laboratories Department of Chemistry Sri Venkateswara University Tirupati 517 502 India Department of Chemistry SVArts College Tirupati 517 502 India

Excess volumes （v^E）, ultrasonic velocities （u）, isentropic compressibility （△Ks） and viscosities （η） for the binary mixtures of dimethyl formamide （DMF） with 1,2-dichlorobenzene, 1,3-dichlorobenzene, 1,2,4-trichlorobenzene, o-chlorotoluene, m-chlorotoluene, p-chlorotoluene, o-nitrotoluene and m-nitrotoluene at 303.15 K were studied. Excess volume data exhibit an inversion in sign for the mixtures of dimethyl formamide with 1,2- and 1,3-dichlorobenzenes and the property is completely positive over the entire composition range for the mixtures of dimethyl formamide with 1,2,4-trichlorobenzene, o-nitrotoluene and m-nitrotoluene. On the other hand, the quantity is negative for the mixtures of dimethyl formamide with chlorotoluenes. Isentropic compressibility （Ks） has been computed for the same systems from precise sound velocity and density data. Further, deviation of isentropic com- pressibility （△Ks） from ideal behavior was also calculated. AKs values are negative over the entire volume fraction range in all the binary mixtures. The experimental sound velocity data were analysed in terms of Free Length Theory （FLT） and Collision Factor Theory （CFT）. The viscosity data were analysed on the basis of corresponding state approach. The measured data were discussed on the basis of intermolecular interactions between unlike molecules.

关键词： excess volume, dimethyl formamide, interferometer, sound velocity, viscosity molecular interaction