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Science China Chemistry 2015年第2期58卷 357-363页

作者： Yuanhang Zhou Weichao Chen Zhengkun Du Dangqiang Zhu Dan Ouyang Liangliang Han Renqiang Yang CAS Key laboratory of bio-based Materials Qingdao Institute of Bioenergy and Bioprocess Technology Chinese Academy of Sciences University of Chinese Academy of Sciences

A new star-shaped small molecule named TCNR3TTPA,with a triphenylamine(TPA)unit as the central building block and2-(1,1-dicyanomethylene)-3-octyl rhodanine(CNR)as the end-capped group,has been designed and ***3TTPA showed a deep highest occupied molecular orbital(HOMO)energy level( 5.60 e V)and broad *** solution-processed bulk heterojunction(BHJ)solar cells based on TCNR3TTPA:PC61BM(1:1,w/w)exhibited a high open-circuit voltage(Voc)of 0.99 V,a short-circuit current density(Jsc)of 5.76 m A/cm2,and a power conversion efficiency(PCE)of 2.50%under the illumination of AM 1.5 G,100 m W/*** high Voc is ascribed to the strong electron-with-drawing ability of the end-capped 2-(1,1-dicyanomethylene)-3-octyl rhodanine *** results demonstrated that the Voc of small-molecule organic solar cells could be increased by introducing a strong electron-withdrawing end-capped block,and that this is an effective strategy to design high-performance small molecules for organic solar cells.

关键词： organic solar cells open-circuit voltage triphenylamine rhodanine derivative

Aromatization and isomerization of methylcyclohexane over Ni catalysts supported on different supports

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Green Energy & Environment 2019年第1期4卷 75-82页

作者： Ye Song Wei Lin Xingcui Guo Linlin Dong Xindong Mu Huiping Tian Lei Wang Research Institute of Petroleum Processing SINOPEC CASKey laboratory of bio-based Materials Qingdao Institute of Bioenergy and Bioprocess Technology Chinese Academy of Sciences

In this work, nickel metal supported on different supports(SiO_2, Al_2O_3, ZSM-5) were prepared by spraying nickel nitrate on the supports and calcined at 873 K. Then, they were characterized by XRD, XRF, N_2 adsorption–desorption, NH_3-TPD, MCH-TPD, H_2-TPR, and pyridine-FTIR,and tested as catalysts for the dehydrogenation aromatization and isomerization of methylcyclohexane(MCH) under the conditions of S-Zorb catalytic adsorption desulfurization(T ? 673 K, P ? 1.5 MPa, WHSV ? 5 h^(-1)). The H2-TPR results showed that the interaction of NiO with support decreased in the order of NiO/ZSM-5-Fe < NiO/ZSM-5 < NiO/Al_2O_3< NiO/SiO2. The decrease of the interaction appeared to facilitate the reduction of Ni and therefore to promote the dehydrogenation aromatization of *** was found that a direct correlation existed between the gasoline components yields, cracking activity and the total number of different supports acid sites measured by NH_3-TPD tests. Higher total acidity of ZSM-5 resulted in gasoline loss because of higher cracking activity of MCH. The number of total acid sites of NiO/ZSM-5-Fe decreased and the medium strong Br€onsted acid sites necessary for MCH isomerization increased after the modification of ZSM-5 by iron metal. So, NiO/ZSM-5-Fe exhibited enhanced MCH conversion, aromatic and isomerization yields when compared to NiO/ZSM-5 and other Ni-based catalysts. This study shows that NiO/ZSM-5-Fe catalyst may be possible to be integrated into the S-Zorb system achieving the recovery of the octane number of gasoline.

关键词： Modified ZSM-5 Methylcyclohexane Aromatization Octane number

Efficient P3HT：PC61BM Solar Cells Employing 1,2,4-Trichlorobenzene as the Processing Additives

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Chinese Journal of Polymer Science 2017年第2期35卷 302-308页

作者： Wei-chao Chen Man-jun Xiao 杨春鹏 Lin-rui Duan 阳仁强 Chinese Academy of Sciences Key laboratory of bio-based Materials Qingdao Institute of Bioenergy and Bioprocess Technology Chinese Academy of Sciences Qingdao 266101 China College of Textiles & Clothing Qingdao University Qingdao 266071 China

The efficiency of the poly（3-hexylthiophene）（P3HT） and [6,6]-phenyl C61-butyric acid methyl ester （PC61BM） based organic solar cells was enhanced by using 1,2,4-trichlorobenzene （TCB） as a processing additive to control the blend morphology. The addition of TCB improved the arrangement of P3HT which resulted in good phase separated blend films. Correspondingly, the optimized solar cells showed a power conversion efficiency （PCE） of 4.17% with a fill factor （FF） of 0.69, which were higher than those of common thermal annealing devices （PCE 3.84%, FF 0.67）. The efficiency was further improved to 4.74% by thermal annealing at 150 ℃for 10 min with a higher FF of 0.74.

关键词： Organic solar cells Crystallinity Additive Morphology

Optimization and modeling of biohydrogen production by mixed bacterial cultures from raw cassava starch

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Frontiers of Chemical Science and Engineering 2017年第1期11卷 100-106页

作者： Shaojie Wang Zhihong Ma Ting Zhang Meidan Bao Haijia Su Beijing Key laboratory of bioprocess Beijing University of Chemical Technology Beijing 100029 China

The production of bio-hydrogen from raw cassava starch via a mixed-culture dark fermentation process was investigated. The production yield of H2 was optimized by adjusting the substrate concentration and the microorganism mixture ratio. A maximum H2 yield of 1.72 mol H2/mol glucose was obtained with a cassava starch concentration of 10 g/L to give a 90% utilization rate. The kinetics of the substrate utilization and of the generation of both hydrogen and volatile fatty acids were also investigated. The substrate utilization follows pseudo first order reaction kinetics, whereas the production of both H2 and the VFAs correlate with the Gompertz equation. These results show that cassava is a good candidate for the production of biohydrogen.

关键词： cassava biohydrogen mixed cultures,kinetics

Functional characterization of a thermostable methionine adenosyltransferase from Thermus thermophilus HB27

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Frontiers of Chemical Science and Engineering 2016年第2期10卷 238-244页

作者： Yanhui Liu Biqiang Chen Zheng Wang Luo Liu Tianwei Tan Beijing Key laboratory of bioprocess Beijing University of Chemical Technology Beijing 100029 China

MATTt （a thermostable methionine adenosyl- transferase from Thermus thermophilus HB27） was over- expressed in Escherchia coli and purified using Ni-NTA affinity column. The enzymatic activity of MATTt was investigated in a temperature range from 30 ℃ to 90 ℃, showing that MATTt exhibited a high enzymatic activity and good thermostability at 80 ℃. Circular dichroism spectra reveals that MATTt contains high portion of β- sheet structures contributing to the thermostability of MATTt. The kinetic parameter, Km is 4.19 mmoFL and 1.2 mmol/L for ATP and methionine, respectively. MATTt exhibits the highest enzymatic activity at pH 8. Cobalt （Co^2＋） and zinc ion （Zn^2＋） enhances remarkably the activity of MATTt compared to the magnesium ion （Mg^2＋）. All these results indicated that the thermostable MATTt has great potential for industry applications.

关键词： ion-preference methionine adenosyltransfer-ase secondary structure thermostability Thermus thermo-philus

Efficient Annealing-Free P3HT:PC61BM-Based Organic Solar Cells by Using a Novel Solvent Additive without a Halogen or Sulphur Atom

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Chinese Physics Letters 2015年第2期32卷 170-174页

作者：肖曼军沈文飞王君义韩亮亮陈为超包西昌阳仁强朱卫国 College of Chemistry and Key Lab of Environment-Friendly Chemistry and Application(Ministry of Education)Xiangtan University CAS Key laboratory of bio-based Materials Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of Sciences

The power conversion efficiency （PCE） of poly（3-hexylthiophene）（P3HT） and [6,6]-phenyl C61-butyric acid methyl ester （P061BM） based organic solar cells （OSCs） is significantly improved by using benzyl acetate （BA）, an organic compound without any halogen or sulphur atom, as a processing additive to control the blend morphology. The solar cells show PCE of 3.85% with a fill factor （FF） of 65.22%, which are higher than those of the common thermal annealing device （PCE 3.30%, FF 60.83%）. The overall increased PCE depends upon the enhanced crystallinity of P3HT and good carriers transport, with a high balanced charge carrier mobility.

关键词： PCE PEDOT Efficient Annealing-Free P3HT:PC HT

ATR–FTIR Spectroscopy Combined with the Invitro Antioxidant Activity and Chromaticity for Rapid Discrimination of Fig(Ficus carica L.)Cultivars

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Journal of Analysis and Testing 2021年第3期5卷 270-285页

作者： Lahcen Hssaini Rachida Ouaabou Rachid Razouk Jamal Charafi Hafi da Hanine Karim Houmanat Said Ennahli Rachid Lahlali National Institute for Agricultural Research(INRA) BO578MeknesMorocco Faculty of Science Semlalia Cadi Ayyad UniversityBO 2390MarrakeshMorocco laboratory of bioprocess and bio-interfaces Faculty of Science and TechnicsBO 523Beni-MellalMorocco National School of Agriculture(ENA) BO S/40MeknesMorocco

Vibrational spectroscopy analysis of full-ripened fig fruits(Ficus carica L.)was acquired using Fourier-transformed infrared(FTIR)spectroscopy by attenuated total reflectance(ATR).The objective of this study was to investigate accurate discrimination of 25 fig cultivars using chemometric analysis of both ATR-FTIR fingerprinting and in-vitro antioxidant activity along with chromatic coordinates ***-vitro antioxidant activity was assessed through three methods and displayed statistically significant differences across cultivars and between the fruit parts,with promising antioxidant *** spectra were measured separately on both peels and pulp to better know which fruit part provides high discrimination throughput between *** results showed vibration intensities of five fingerprint regions displaying statically significant *** highest vibration intensity occurred in the region of 1175-940 cm^(-1)including the phenols *** components analysis based on integrated intensities corresponding to fingerprint regions,revealed two main groups in pulp samples,while five groups in peels *** pulp extracts of’Nabout’showed a typical vibration in 3000-2800 cm^(-1)and 1775-1725 cm^(-1)regions and,therefore was classified as single subset in cultivars *** cultivar had a lightcolored fig and exhibited the highest antioxidant potency for all essays particularly in peel *** biochemical assessment and FTIR fingerprinting data were involved in PCA analysis,and that displayed some dissimilarities in the classification patterns,given the fact that antioxidant activities and chromaticity together could not totally explain the classification based on FTIR fingerprinting between peel and *** of FTIR-ATR spectroscopy to discriminate fig cultivars seems to be a rapid,accurate and cost-effective alternative to laborious measurement techniques,in fig quality screening and preselection,such as chromatog

关键词： Chemometrics FTIR-ATR Ficus carica L. Half maximal inhibitory concentration Multivariate analysis

Thermodynamics of glycerol hydrogenolysis to propanediols over supported copper clusters: Insights from first-principles study

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Science China Chemistry 2013年第6期56卷 763-772页

作者： GUAN Jing WANG XiCheng WANG XiaoYan MU XinDong Key laboratory of biofuels Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of Sciences

Copper catalysts supported on metal oxides display unique efficiency and selectivity in catalyzing glycerol hydrogenolysis to propanediols. Understanding the reaction at the molecular level is the key to rational design of better catalysts for propanediol synthesis, which is one of the major challenges for glycerol application in energy. In this work, extensive calculations based on periodic density functional theory were carried out to study thermodynamics of glycerol hydrogenolysis over binary model catalysts, including Cu/ZrO2 and Cu/MgO, with the focus to elucidate the competitive reaction pathways to produce the 1,2-propanediol (1,2-PDO) and 1,3-propanediol (1,3-PDO). Our results suggest that the reaction starts with glycerol dehydration on the metal oxide, followed by sequential hydrogenation over metal centers. Based on our explorations on the stabilities of adsorbed reactants, dehydrated intermediates and hydrogenated species along the reaction channels, the DFT calculations show that the 1,2-PDO formation will dominate in comparison to the 1,3-PDO from thermodynamic viewpoint. This is consistent with our experiments where the Cu catalysts seem to give the 1,2-PDO as a main product. The calculations and experiments also indicate that the Cu/MgO exhibits superior activities than Cu/ZrO2 for the hydrogenolysis of glycerol molecules.

关键词： density functional calculations glycerol hydrogenolysis propanediols copper-based catalysts mechanism

Shape/size controlling syntheses, properties and applications of two-dimensional noble metal nanocrystals

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Frontiers of Chemical Science and Engineering 2016年第3期10卷 360-382页

作者： Baozhen An Mingjie Li Jialin Wang Chaoxu Li bioengineering Department College of Chemical Engineering Qingdao University of Science & Technology Qingdao 266042 China CAS Key laboratory of bio-based Materials Qingdao Institute of Bioenergy and Bioprocess Technology Chinese Academy of Sciences Qingdao 266101 China

Two dimensional （2D） nanocrystals of noble metals （e.g., Au, Ag, Pt） often have unique structural and environmental properties which make them useful for applications in electronics, optics, sensors and biomedi- cines. In recent years, there has been a focus on discovering the fundamental mechanisms which govern the synthesis of the diverse geometries of these 2D metal nanocrystals （e.g., shapes, thickness, and lateral sizes）. This has resulted in being able to better control the properties of these 2D structures for specific applications. In this review, a brief historical survey of the intrinsic anisotropic properties and quantum size effects of 2D noble metal nanocrystals is given and then a summary of synthetic approaches to control their shapes and sizes is presented. The unique properties and fascinating applica- tions of these nanocrystals are also discussed.

关键词： two-dimension noble metal nanocrystal surface plasmon controllable synthesis

An enzyme-loaded reactor using metal-organic framework-templated polydopamine microcapsule

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Chinese Journal of Chemical Engineering 2021年第1期34卷 317-325页

作者： Jing Wang Yongqin Lv Beijing Key laboratory of bioprocess College of Life Science and TechnologyBeijing University of Chemical TechnologyBeijing 100029China

Ultrathin polydopamine microcapsules with hierarchical structure and porosity were prepared for the immobilization of multienzymes using metal-organic framework(MOF) as the *** multienzyme/MOF composite was first prepared using a "one-pot" co-precipitation approach via the coordination and self-assembly of zinc ions and 2-methylimidazole in the presence of *** obtained nanoparticles were then coated with polydopamine thin layer through the self-polymerization of dopamine under alkaline *** polydopamine microcapsules with an ultrathin shell thickness of ~48 nm were finally generated by removing the MOF template at acidic *** enzymes were encapsulated in PDA microcapsules including carbonic anhydrase(CA),formate dehydrogenase(FateDH),and glutamate dehydrogenase(GDH).FateDH that catalyzed the main reaction of CO_(2) reduction to formic acid retained 94.7% activity of equivalent free *** with free multienzymes,the immobilized ones embedded in PDA microcapsules exhibited 4.5-times higher of formate production and high catalytic efficiency with a co-factor-based formate yield of 342%.

关键词： biocatalysis Enzyme Immobilization Microcapsule Metal-organic framework Template