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Molecular modeling and spectroscopic studies on the binding of guaiacol to human immunoglobulin

Science China chemistry 2006年第6期49卷 550-559页

作者： HE Wenying1,2, YAO Xiaojun1, LIU Pengjun2, GAO Zhenxia2 & HU Zhide1 1. department of chemistry, Lanzhou university, Lanzhou 730000, China 2. department of chemistry, Hainan Normal university, Hainan 571158, China department of chemistry Lanzhou University Lanzhou China department of chemistry Hainan Normal University Hainan China

The fluorogenic property of guaiacol was exploited for the first time to analyze the interaction with target protein as a probe by molecular modeling, fluorescence, circular dichroism (CD) and Fourier transform infrared (FT-IR) spectroscopy. Molecular docking was performed to reveal the possible binding mode or mechanism and suggested that guaiacol can strongly bind to human immu- noglobulin (HIgG). It is considered that guaiacol binds to HIgG mainly by a hydrophobic interaction and there are two hydrogen bond interactions between the drug and the residues LEU 80 and ASP 65, which is in good agreement with the results from the experimental thermodynamic parameters (the enthalpy change △H0 and the entropy change △S0 were calculated to be 65.55 kJ·mol-1 and 132.95 J·mol-1·K-1 according to the Vant’ Hoff equation). Data obtained by the fluorescence spectroscopy indicated that binding of guaiacol with HIgG leads to dramatic enhancement in the fluorescence emission intensity along with significant occurrence of efficient Frster resonance energy transfer (FRET) from the residue of HIgG to the protein bound guaiacol. From the low value of fluorescence anisotropy (r = 0.06), it is argued that the probe molecule is located in the motionally unrestricted environment of the protein. The alterations of protein’s secondary structure in the presence of guaiacol in aqueous solution were quantitatively calculated by the evidences from FT-IR and CD spectroscopes.

关键词： guaiacol, human immunoglobulin, molecular modeling, fluorescence enhancement, Fourier transform infrared (FT-IR) spectroscopy, circular dichroism (CD).

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Synthesis of three-dimensional hierarchical cobalt hydroxide microstructures

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Science China chemistry 2010年第4期53卷 841-845页

作者： SONG XuChun1, ZHAO Yang2, ZHENG YiFan3, YANG E1 & LIU ZhiSheng1 1Institute of Physical chemistry, department of chemistry, Fujian Normal university, Fuzhou 350007, China 2department of chemistry, Henan Normal university, Xinxiang 453007, China 3College of Chemical Engineering & Materials Science, Zhejiang university of Technology, Hangzhou 310014, China Institute of Physical chemistry Department of Chemistry Fujian Normal University Fuzhou China department of chemistry Henan Normal University Xinxiang China College of Chemical Engineering & Materials Science Zhejiang University of Technology Hangzhou China

β-Co(OH)2 with three-dimensional (3-D) structures was prepared by a simple hydrothermal method. It was found that the amount of cetyltrimethylammonium bromide (CTAB), the pH value, and the reaction time all had an important influence on the formation of this morphology. The products were characterized by X-ray diffraction, energy-dispersive X-ray analysis, and scanning electron microscopy. A possible mechanism of the formation of the 3-D microstructures of β-Co(OH)2 was proposed.

关键词： cobalt hydroxide microstructures hydrothermal

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^(99)Ru and ^(13)C-NMR Spectra for the Tris Chelates of 5-Substituted 1,10-Phenanthrolines with Ruthenium (Ⅱ)

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Chinese Chemical Letters 1998年第8期9卷 765-766页

作者： Xiao Ming XIAO and Takeko MATSUMURA-INO UE2(department of chemistry, Hunan Normal university, Changsha, 410081)(department of chemistry, Nara university of Education, Nara 63O, Japan) department of chemistry Hunan Normal University Changsha 410081 China department of chemistry Nara University of Education Nara 630 Japan

13C and 99Ru-NMR chendcal shifts are reported for the ruthenium(II) tris complexes of5-substitUted 1,10-phenanthrolines. It has been found that both of them are affected by the substituents on the phenanthrolines in a... 详细信息

关键词： NMR spectrum ruthenium(Ⅱ) complex substituent effect

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Melatonin-selenium nanoparticles protects liver against immunological injury induced by bacillus Calmette-Guérin and lipopolysaccharide

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Acta Pharmacologica Sinica 2005年第6期26卷 745-752页

作者： Hua WANG, Wei WEI~3, Sheng-yi ZHANG~2, Yu-xian SHEN, Ni-ping WANG, Li YUE, Shu-yun XU Institute of Clinical Pharmacology, Anhui Medical university, Hefei 230032, China ~2department of chemistry, Anhui university, Hefei 230039, China. Institute of Clinical Pharmacology Anhui Medical University Hefei China department of chemistry Anhui University Hefei China

Aim: Melatonin-selenium nanoparticle (MT-Se), a novel complex, was synthesized by preparing selenium nanoparticles in a melatonin medium. The present investigation was designed to determine the protective effects of MT-Se against immunological liver injury in mice induced by bacillus Calmette-Guerin (BCG)/ lipopolysaccharide (LPS). Methods: The model of immunological liver injury in mice was prepared. The levels of alanine aminotransferase, aspartate aminotransferase, nitric oxide (NO) in serum, malondialdehyde content, superoxide dismutase (SOD), and glutathione peroxidase (GSH-px) activities in a liver homo-genate were assayed by spectrophotometry. The content of tumor necrosis fac-tor (TNF) and interleukin-1 (IL-1) were determined by ELISA. The splenocyte proliferation was assayed by 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetra-zolium bromide (MTT) dye reduction. Meanwhile, a hepatic pathological examination was observed. Results: In the BCG/LPS-induced hepatic injury model, MT-Se administered at doses of 5,10, or 20 mg/kg to the BCG/LPS-treated mice for 10 d significantly reduced the increase in serum aminotransferase, reduced the severe extent of hepatic cell damage and the immigration of inflammatory cells. It also attenuated the increase in the content of thiobarbituric acid-reactive substances and enhanced the decrease in activities of SOD and GSH-px. In contrast, the treatment with MT-Se suppressed the increase in NO level in both the serum and liver tissue. Furthermore, MT-Se significantly lowered an increase in TNF and IL-1 levels in the liver and inhibited the production of TNF and IL-1 by peritoneal macrophages. A downregulation effect of MT-Se on splenocyte proliferation was also observed. Conclusion: MT-Se showed a hepatic protective action on immunological liver injury in mice.

关键词： melatonin selenium liver superoxide dismutase glutathione peroxidase nitric oxide tumor necrosis factor interleukin-1

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Evaluation of Human Impacts on Bartlett Pond Ecosystem, Laredo, Southern Texas, usa, through Empirical Modeling

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Journal of Environmental Protection 2024年第4期15卷 497-526页

作者： Maya P. Bhatt Amede Rubio Ganesh B. Malla Cristobal Lopez virginia Morales Erick Vazquez Cano David Marquez Orlando Berumen Alvarez Alfred Addo-Mensah department of Biology and chemistry Texas A&M International University Laredo USA department of Mathematics Computer Geology and Physics University of Cincinnati-Clermont College Batavia USA

The trace elements chemistry of Bartlett Pond, a small shallow wetland pond in Laredo, Southern Texas, was sampled to evaluate the dynamics of trace elements impacts on water quality and ecosystems ecology of the pond. Two types of fish (bass and tilapia) were also sampled to see the trace element accumulation in different parts of their body. The concentrations of trace elements in water samples were found in the following order: Fe ≫Sb > Pb > As ≫Co > Tl > Cr > Cd within Bartlett Pond. Overall, the water quality of the pond is unacceptable for drinking and any other purposes as trace element concentrations (e.g. As, Cd, Co, Cr, Pb, Fe, Sb and Tl) are exceedingly higher (several fold) than the WHO and US EPA guidelines. Predictive and correlation analysis shows that most trace elements exhibit a strong positive correlation among them indicating the same anthropogenic sources and biogeochemical processes regulate these trace elements within the pond. Distributions of the trace elements in water exhibit different shapes mostly as positively skewed distribution for As, Cd, Co, Cr, and Tl, symmetrical distribution for Fe and almost symmetrical distribution for Pb and Sb. Concentrations of As, Co and Tl accumulated much higher in different parts of the Bass than Tilapia fish. The concentrations of As, Tl, Co, and Sb appeared significantly higher in different parts of the body of both Bass and Tilapia than the maximum SRM certified values. Accumulation of these contaminants in fish tissues pose increased health risks to humans who consume these contaminated fish although fishing is prohibited. Anthropogenic activities in the region primarily degrade the whole pond ecosystem ecology of the Bartlett Pond and waters of this pond to be not recommended for any use. These findings may be useful for the scientific community and concerned authorities to improve understanding about these precious natural resources and conservation of the ecosystem ecology.

关键词： Trace Elements Bartlett Pond Laredo Southern Texas Wetlands Ecosystem Ecology

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EXTRAPOLATION AND A-POSTERIORI ERROR ESTIMATORS OF PETROV-GALERKIN METHODS FOR NON-LINEAR VOLTERRA INTEGRO-DIFFERENTIAL EQUATIONS

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Journal of Computational Mathematics 2001年第4期19卷 407-422页

作者： Shu-hua Zhang (department of Mathematical Sciences, university of Alberta, Edrmonton, Alberta, Canada T6G 2G1) Tao Lin (department of Mathematics, virginia Tech, Blacksburg VA 24061) Yan-ping Lin (department of Mathematical Sciences, university of Alberta university of Alberta 加拿大 T6G 2G1 virginia Tech 美国 VA 24061 university of Alberta 加拿大 T6G 2G6

In this paper we will show that the Richardson extrapolation can be used to enhance the numerical solution generated by a Petrov-Galerkin finite element method for the initial value problem for a nonlinear Volterra integro-differential equation. As by-products, we will also show that these enhanced approximations can be used to form a class of posteriori estimators for this Petrov-Galerkin finite element method. Numerical examples are supplied to illustrate the theoretical results.

关键词： Volterra integro-differential equations Petrov-Galerkin finite element methods Asymptotic expansions Interpolation post-processing A-posteriori error estimators.

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A NOVEL SECOND-ORDER TRANSITION IN ORGANIC HYBRIDS CONSISTING OF POLYMERS AND SMALL MOLECULES

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Chinese Journal of Polymer Science 2001年第5期19卷 455-466页

作者： Chi-fei Wu department of chemistry and Chemical Engineering Kanazawa university 2-40-20 Kodatsuno Kanazawa, Ishikawa 920-8667 Japan Kanazawa university 日本

A novel transition appeared above thc glass transition temperature of chlorinated polyethylene (CPE) for binaryblends of CPE and additives such as organic small molecules or oligomers. This transition was assigned to the dissociation ofintermolecular hydrogen bonds between the polymer ard additive within the edditive rich phase. Of particular interest is thata novel pyramid crystal was observed in the annealed CPE/hindered phenol blends. Another intriguing observation is thatthese polymer/small molecule blends organized by intermolecular hydrogen bonding have several potential properties, suchas shape-memorization, self-restoration, self-adhesiveness and super damping.

关键词： Organic hybrid Second-order transition Shape memory effect Damping Self restoration

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Effect of daidzin,genistin,and glycitin on osteogenic and adipogenic differentiation of bone marrow stromal cells and adipocytic transdifferentiation of osteoblasts

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Acta Pharmacologica Sinica 2005年第9期26卷 1081-1086页

作者： Xiang-hui LI~1 Jin-chao ZHANG~(2,3) Sen-fang SUI~(1,4) Meng-su YANG~(3,4)1 State Key Laboratory of Biomembrane department of Biological Sciences and Biotechnology,Tsinghua university,Beijing 100084,China 2 department of chemistry College of chemistry and Environmental Science,Hebei university,Baoding 071002,China 3 department of Biology and chemistry,City university of Hong Kong,Hong Kong,China department of Biological Sciences and Biotechnology State Key Laboratory of Biomembrane Tsinghua University Beijing China department of chemistry College of Chemistry and Environmental Science Hebei University Baoding China department of Biology and chemistry City University of Hong Kong Hong Kong China

Aim:To examine the effect of daidzin,genistin,and glycitin on the osteogenic andadipogenic differentiation of bone marrow stromal cells（MSC）and the adipogenictransdifferentiation of ***:MTT test,alkaline phosphatase（ALP）activity measurement,Oil Red O stain and measurement were ***:Daidzin,genistin,and glycitin 1×10-8,5×10-7,1×10-6,5×10-6,and 1×10-5mol/L all promoted the proliferation of primary mouse bone MSC and *** 5×10-7mol/L and genistin 1×10-6mol/L promoted the osteogenesis *** 1×10-8,5×10-7,1×10-6,5×10-6,and 1×10-5mol/L and glycitin 1×10-8,1×10-6,and 1×10-5mol/L inhibited the adipogenesis of ***,genistin,and glycitin 1×10-8,5×10-7,1×10-6,5×10-6,and 1×10-5mol/L all inhibited the adipocytictransdifferentiation of ***:Daidzin,genistin,and glycitinmay modulate differentiation of MSC to cause a lineage shift toward the osteo-blast and away from the adipocytes,and could inhibit adipocytic transdifferen-tiation of *** could also be helpful in preventing the developmentof osteonecrosis.

关键词： daidzin genistin glycitin bone marrow stro-real cells osteogenic differentiation adipogenic differentiation osteoblasts adipocytic transdifferentiation

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Rhodamine B doped silica nanoparticle labels for protein microarray detection

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Science China chemistry 2010年第4期53卷 747-751页

作者： WANG Ying1, LI ZhongHui1, ZHONG WenYing2, LI Hui2, XU DanKe1 & CHEN HongYuan1 1Key Laboratory of Analytical chemistry for Life Science, Ministry of Education School of chemistry and Chemical Engineering, Nanjing university, Nanjing 210093, China 2department of Analytical chemistry, China Pharmaceutical university, Nanjing 210009, China Key Laboratory of Analytical chemistry for Life Science Ministry of Education School of chemistry and Chemical Engineering Nanjing University Nanjing China department of Analytical chemistry China Pharmaceutical University Nanjing China

A core-shell Rhodamine B-doped SiO2 nanoparticle was synthesized and its fluorescent intensity was found to be 1000 times higher than that of individual Rhodamine B molecule. The doped nanoparticles were further conjugated with streptavidin and the resulting nanoparticles were used in the detection of reverse-phase protein microarrays, in which human IgG of various concentrations was first immobilized on aldehyde-modified glass slides and then biotinlyated goat anti human IgG as well as the labeled nanoparticles were sequentially conjugated. The calibration curve is linear over the range from 800 fg to 500 pg and the limit of detection is 100 fg, which is 8 times lower than that of streptavidin-labeled Cy3 fluorescent dyes. The dyedoped SiO2 nanoparticles show potentials for the protein array detection.

关键词： Rhodamine B SiO2 nanoparticles protein detection protein microarrays

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Mitochondrial rRNA and tRNA and hearing function

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Cell Research 2007年第3期17卷 227-239页

作者： Guangqian Xing~1 Zhibin Chen~1 Xin Cao~2 ~1department of Otolaryngology,the First Affiliated Hospital of Nanjing Medical university,Nanjing 210029,China ~2department of Biotechnology,Nanjing Medical university,Nanjing 210029,China department of Otolaryngology the First Affiliated Hospital of Nanjing Medical University Nanjing China department of Biotechnology Nanjing Medical University Nanjing China

The human ear is a delicate sensory apparatus of hearing for normal communication,and its proper functioning is highlydependent on mitochondrial oxidative *** first mitochondrial point mutation for nonsyndromic andaminoglycoside-induced hearing loss was identified in *** then a number of inherited mitochondrial mutationshave been implicated in hearing *** of the molecular defects responsible for mitochondrial disorder-associatedhearing loss are mutations in the 12S rRNA gene and tRNA *** this review,after a short description of normal hear-ing mechanisms and mitochondrial genetics,we outline the recent advances that have been made in the identification ofdeafness-associated mitochondrial mutations,and discuss how mitochondrial dysfunction contributes to hearing loss.

关键词： mitochondrial DNA rRNA tRNA gene mutation aminoglycosides hearing loss

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