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Molecular basis of cross-interactions between Aβ and Tau protofibrils probed by molecular simulations

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Chinese Journal of Chemical Engineering 2023年第3期55卷 173-180页

作者： Fufeng Liu Luying Jiang Jingcheng Sang Fuping Lu Li Li State Key laboratory of food Nutrition and Safety Key Laboratory of Industrial Fermentation Microbiology of Ministry of EducationTianjin Key Laboratory of Industrial MicrobiologyCollege of BiotechnologyTianjin University of Science&TechnologyTianjin 300457China College of Marine and Environmental Science Tianjin University of Science&TechnologyTianjin 300457China

Amyloid β-protein(Aβ) and Tau, two common pathogenic proteins associated with Alzheimer’s disease(AD), cross-interact, and thus co-assemble into hybrid aggregates. However, molecular mechanism of the cross-interactions remains unclear. To explore the issue, docking and molecular dynamics(MD) simulations were coupled to study the cross-interactions between Aβ pentamer and Tau pentamer. Four stable hybrid decamer conformations including double layer, single layer, block, and part-in were obtained by protein-protein docking software HADDOCK 2.2. Then, MD simulations were used to explore the molecular mechanism of cross-interactions between Aβ pentamer and Tau pentamer. The results of MD simulations showed that the part-in structure was the most stable among all the above four representative ones. The binding energy between Aβ and Tau was about-759.77 kJ·mol-1in the part-in structure. Moreover, the part-in conformation would undergo conformational transition, which would improve its hydrophobicity and make the structure more compact. This work offers a structural understanding of cross-interactions between Aβ and Tau linked to AD.

关键词： Alzheimer’s disease Amyloidβ-protein Tau Cross-interactions Protein-protein docking Molecular dynamics simulation

Comparison of Fecal Methanogenic Archaeal Community Between Erhualian and Landrace Pigs Using Denaturing Gradient Gel Electrophoresis and Real-Time PCR Analysis

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Journal of Integrative Agriculture 2014年第6期13卷 1340-1348页

作者： SU Yong Hauke Smidt ZHU Wei-Yun laboratory of Gastrointestinal microbiology College of Animal Science and TechnologyNanjing Agricultural University laboratory of microbiology Agrotechnology and Food Sciences GroupWageningen University

Erhualian and Landrace breeds are typical genetically obese and lean pigs, respectively. To compare the fecal methanogenic Archaeal community between these two pig breeds, fecal samples from different growth phase pigs were collected and used for PCR-denaturing gradient gel electrophoresis （DGGE） with two primer pairs （344fGC/519r and 519f/915rGC） and real-time PCR analysis. Results showed that a better separation and higher quality of bands pattern were obtained in DGGE proifles using primers 344fGC/519r as compared with primers 519f/915rGC. Sequencing of DGGE bands showed that the predominant methanogens in the feces of Erhualian and Landrace pigs belonged to Methanobrevibacter spp. and Methanosphaera spp. Real-time PCR analysis revealed that there was no signiifcant difference in the numbers of fecal total methanogens between Erhualian and Landrace pigs;however, pig growth phase affected the numbers of 16S rRNA genes of total methanogens and Methanobrevibacter smithii. Dissociation curves of methyl coenzyme-M reductase subunit A （mcrA） gene fragments ampliifed with real-time PCR showed all samples possessed a single peak at 82＆#176;C, which might be associated with M. smithii. Samples from the same growth phase of each breed showed good replicative dissociation curves. The results suggest that the growth phase （including diet factor） other than genotype of pig may affect the fecal methanogenic Archaeal community of pigs.

关键词： methanogenic Archaea Erhualian pig Landrace pig Methanobrevibacter smithii

Cross-linkedα-amylase aggregates on Fe3O4 magnetic nanoparticles modified with polydopamine/polyethyleneimine for efficient hydrolysis of starch

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Particuology 2024年第7期90卷 98-105页

作者： Jiandong Cui Xiuming Tang Qingqing Ma Yuyan Chang Qunli Zhang Shiru Jia State Key laboratory of food Nutrition and Safety Laboratory of Industrial Fermentation MicrobiologyMinistry of EducationTianjin University of Science and TechnologyTianjin 300457China Key laboratory of Biomass Chemical Engineering of Ministry of Education Zhejiang UniversityHangzhou 310027China

In this workα-amylase was immobilized on magnetic Fe3O4 nanoparticles with polyethylenimine(PEI)/polydopamine(PDA)coating or 3-aminopropyl triethoxysilane(APTES)for the first time via adsorption–precipitation–*** with the freeα-amylase,the resultant magnetic cross-linkedα-amylase aggregates(PEI/PDA-M-CLEAs and N-M-CLEAs)exhibited excellent thermal and storage stability as well as pH *** storage at 25°C for 60 days,freeα-amylase only retained 60%of its initial activity,while PEI/PDA-M-CLEAs and N-M-CLEAs retained 80%and 78%of their initial activities,***,N-M-CLEAs and PEI/PDA-M-CLEAs showed good *** 6 repeated uses,PEI/PDA-M-CLEAs and N-M-CLEAs still maintained 65%and 62%of their initial activities,***,PEI/PDA-M-CLEAs and N-M-CLEAs exhibited higher starch hydrolysis efficiency than freeα-*** maximum dextrose equivalent(DE)values of starch hydrolysis by PEI/PDA-M-CLEAs and N-M-CLEAs reached 29.24%and 28.79%within 90 min,***,the maximum DE values of starch hydrolysis by the freeα-amylase was only 27.89%even in 150 *** magnetic cross-linkedα-amylase aggregates could be introduced as effective biocatalyst for industrial applications in production of maltose syrups.

关键词： α-amylase Magnetic nanoparticles Functional modification Magnetic cross-linked enzyme aggregates Hydrolysis of starch

Three Nickel/maleonitriledithiolate Complexes Accompanied by Different Organic Molecules: Syntheses, Crystal Structures and Properties

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Chinese Journal of Structural Chemistry 2015年第6期34卷 965-972页

作者： YAN Wei-Hong SHEN Ming-Le JI E-Yu HUANG Ya-Ping LIU Xue-Guo Nanyang Key laboratory of industrial microbiology School of Biology and Chemical Engineering Nanyang Institute of Technology

Three complexes [AMP][Ni（mnt）2]·CH3CN （1, AMP = 1-（9-anthrylmethyl）pyri- dinium）, [DPI]2[Ni（nmt）2]I （2, DPI = diphenyliodonium） and [DD][Ni（mnt）2]2·2H2O （3, DD = dimethylenediamine） have been prepared and characterized by elemental analyses and IR spectroscopy. X-ray diffraction studies show that three complexes crystallize in the same triclinic space group Pi, and anionic accumulations are formed in a column shape. The results show that different counter-cations could induce versatile anionic stacks. The structures of three complexes exhibit rich hydrogen bonding interactions. In addition, UV-VIS properties of them are also investigated.

关键词： maleonitriledithiolate syntheses crystal structure

A Three-dimensional Ba(Ⅱ) Coordination Polymer Based on H_4AQTC(Anthraquinone-1,4,5,8-tetracarboxylic Acid): Quinone Oxygen Atoms Participate in Coordination

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Chinese Journal of Structural Chemistry 2015年第1期34卷 133-139页

作者：闫卫红杨丽斌申明乐姬鄂豫 Nanyang Key laboratory of industrial microbiology School of Biology and Chemistry EngineeringNanyang Institute of Technology

A novel coordination polymer [Ba2（AQTC）（H2O）3]n（1, H4 AQTC = anthraquinone-1,4,5,8-tetracarboxylic acid） has been prepared under hydrothermal conditions and characterized by single-crystal X-ray diffraction, elemental analysis, infrared spectroscopy and thermogravimetric analysis. Two quinone oxygen atoms and all carboxylate oxygen atoms of AQTC4- are involved in coordination. Two equivalent barium ions are mainly linked by carboxylate oxygen atoms into a dimer. Neighbouring dimers are further connected by the AQTC4- ligand through carboxylate oxygen atom, leading to a 1-D chain structure. Every two adjacent chains are mainly further connected by face carboxylate oxygen atoms and water molecule, generating a two-dimensional layer structure. Such 2-D layer structures are connected with O（6） and O（6C） atoms from water molecules to form a 3-D structure. In addition, luminescent properties of 1 are also investigated.

关键词： anthraquinone-1,4,5,8-tetracarboxylic acid crystal structure quinone oxygen

Two Ion-pair Complexes Constructed by[M(mnt)_2]^(n-) (M=Ni,Co,mnt = Maleonitriledithiolate):Syntheses, Characterization and Thermal Stability

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Chinese Journal of Structural Chemistry 2015年第2期34卷 306-312页

作者：闫卫红姬鄂豫申明乐李朝艳李霞徐雪丽 Nanyang Key laboratory of industrial microbiology School of Biology and Chemistry Engineering Nanyang Institute of Technology

Two new ion-pair complexes [Co（BBP）2]2[Ni（mnt）2]CI2·4DMF-2H20 （1, BBP 2,6-bis（benzimidazol-2＇-yl） pyridine, rant = maleonitriledithiolate） and [（Py）2CH2][Co（mnt）2]2· 4DMF （2） have been synthesized and characterized by elemental analyses, IR spectroscopy, thermogravimetric analyses and single-crystal X-ray diffraction. X-ray diffraction studies show that complex 1 crystallizes in monoclinic, space group P21/c. The crystal of 2 belongs to a triclinic system with space group P1. Due to the hydrogen bonding interactions, anions and cations formed the mixed packing in complex 1 while the anions and cations formed segregated columns in 2. in addition, thermogravimetric analyses of the two complexes are also investigated.

关键词： maleonitriledithiolate, crystal structures, hydrogen-bond

Carbonaceous Nanofibers-titanium Dioxide Nanocomposites: Synthesis and Use as a Platform for Removal of Dye Pollutants

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Journal of Wuhan University of Technology(Materials Science) 2019年第2期34卷 303-307页

作者：郭洪影 JIANG Shan WANG Chaoyuan LI Shenwan FENG Jianjian 孙红梅 ZHU Hongda GUO Huiling LIU Mingxing SUN Honghao School of Bioengineering and food Key Laboratory of Fermentation Engineering (Ministry of Education) Key Laboratory of Industrial Microbiology in Hubei National ‘‘111'' Center for Cellular Regulation and Molecular Pharmaceutics Hubei Provincial Cooperative Innovation Center of Industrial Fermentation Hubei University of Technology

A mild chemistry route was developed to prepare carbonaceous nanofibers-titanium dioxide(CNF-TiO_2) nanocomposites for removal of dye pollutants. In the process of the template-directed hydrothermal carbonization(HTC), ultrathin Te nanowires were adopted as templates and glucose as the carbon source, and TiO_2 was decorated on CNF via the hydrolysis of tetrabutyltitanate in the presence of CNF in ethanol. The as-prepared materials were characterized by scanning electron microscopy(SEM), transmission electron microscopy(TEM), energy-dispersive X-ray(EDX) and X-ray diffraction(XRD). SEM and TEM observations displayed that TiO_2 nanoparticles were anchored on the CNF. EDX and XRD data confirmed that the assynthesized samples were CNF-TiO_2, and TiO_2 belonged to anatase titania. Taking advantage of combined benefits of carbonaceous nanofibers and titanium dioxide, these CNF-TiO_2 nanocomposites exhibited higher removal efficiency in a short time and showed good reusability. It was showed that over 97% of Rhodamine B could be removed in 15 min without generating the solid and liquid wastes. The removal efficiency of dyes was still over 80% after reuse in five cycles. All the results demonstrate that the as-prepared CNF-TiO_2 composites are effective materials for fast and effective removal of dye pollutants and thus can provide a new platform for dye decontamination.

关键词： carbon materials nanocomposites dye pollutants

Purification and biochemical characterization of manganesecontaining superoxide dismutase from deep-sea thermophile Geobacillus sp. EPT3

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Acta Oceanologica Sinica 2014年第12期33卷 163-169页

作者： ZHU Yanbing LI Hebin NI Hui LIU Jingwen XIAO Anfeng CAI Huinong College of food and Biological Engineering Jimei University Fujian Provincial Key laboratory of food microbiology and Enzyme Engineering Research Center of food microbiology and Enzyme Engineering Technology of Fujian Province Xiamen Medical College

Thermostable SOD is a promising enzyme in biotechnological applications. In the present study, ***3 was isolated from a deep-sea hydrothermal field in the East Pacific. A thermo-stable superoxide dismutase （SOD） from this strain was purified to homogeneity by steps of fractional am-monium sulfate precipitation, DEAE-Sepharose chromatography, and Phenyl-Sepharose chromatography. SOD was purified 13.4 fold to homogeneity with a specific activity of 3 354 U/mg and 11.1% recovery. SOD fromGeobacillussp. EPT3 was of the Mn-SOD type, judged by the insensitivity of the enzyme to both KCN and H2O2. SOD was determined to be a homodimer with monomeric molecular mass of 26.0 kDa. It had high thermostability at 50＆#176;C and 60＆#176;C. At tested conditions,SOD was relatively stable in the presence of some inhibitors and denaturants, such asβ-mercaptoethanol （β-ME）, dithiothreitol （DTT）, phenylmethylsulfonyl fluoride （PMSF）, urea, and guanidine ***. EPT3 SOD showed striking stability across a wide pH range from 5.0 to 11.0. It could withstand denaturants of extremely acidic and alkaline conditions, which makes it useful in the industrial applications.

关键词： Geobacillus sp. superoxide dismutase thermostability purification

A cold adapt and ethanol tolerant endoglucanase from a marine Bacillus subtilis

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Chinese Journal of Chemical Engineering 2018年第12期26卷 2601-2606页

作者： Dongsheng Xue Xuhao Zeng Chunjie Gong Dongqiang Lin Shanjing Yao Key laboratory of Fermentation Engineering (Ministry of Education) Hubei Provincial Cooperative Innovation Center of Industrial Fermentation Hubei Key Laboratory of Industrial MicrobiologyHubei University of Technology Department of Chemical and Bioengineering Zhejiang University

The catalytic properties and thermodynamic kinetics of the endoglucanase from a marine Bacillus subtilis were analyzed. Optimum pH and temperature of the endoglucanase activity were 5.0 and 35 °C. The endoglucanase activity, melt point temperature was 1.13 folds(247.02 U·ml^(-1)), 2.1 °C higher(39.2 °C) in 6% ethanol solution than that(218.60 U·ml^(-1)),(37.1 °C) in free ethanol. At 40 °C–55 °C, Gibbs free energy, ΔG, and the content ofα-helix was higher in 6% ethanol solution than that in ethanol free solution. The increasing of α-helix content led to higher activity and better thermostability in ethanol solution. The cold adapt ethanol tolerant endoglucanase was valuable for bioethanol product by simultaneous saccharification and fermentation process.

关键词： Endoglucanase Ethanol tolerant Cold adapt Bioethanol