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Molecular methods for detection of pathogenic viruses of respiratory tract——A review
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作者 Md.Shahidul Kabir 《Asian Pacific Journal of Tropical Biomedicine》 SCIE CAS 2018年第5期237-244,共8页
Human respiratory system is harbored by a vast array of transient and normal microbial flora.A number of pathogenic viruses were diagnosed from samples in different occasions from mild to severe infections of respirat... Human respiratory system is harbored by a vast array of transient and normal microbial flora.A number of pathogenic viruses were diagnosed from samples in different occasions from mild to severe infections of respiratory tract.Molecular methods were developed for detection of these viruses during last two decades.Nucleic acid amplification methods were introduced for rapid and accurate diagnosis of pathogenic viruses.Multiplex detection systems were employed to identify a panel of pathogenic viruses,which requires specialized kits and instruments in some cases.This review summarizes different types of molecular approaches which were developed with time and applied for the detection of pathogenic viruses associated with infections of the respiratory system. 展开更多
关键词 Respiratory system VIRUS molecular method DETECTION
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COMPUTERIZED SIMULATION OF MOLTEN SALT SOLUTION OF Li,KF,Cl SYSTEM BY MOLECULAR DYNAMIC METHOD 被引量:2
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作者 SHAO Jun Shanghai University of Science and Technology,Shanghai,ChinaXU Hua CHEN Nianyi Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,China SHAO Jun Associate Professor,Dept.of Chemistry,Shanghai University of Science and Technology,Shanghai 201800,China 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1990年第10期221-225,共5页
The structure and properties of molten salt solution o J Li,K|F,Cl system have been investiged by computerized simulation of molecular dynamic method.The partial RDF,the partial molar energy of mixing and the diffusio... The structure and properties of molten salt solution o J Li,K|F,Cl system have been investiged by computerized simulation of molecular dynamic method.The partial RDF,the partial molar energy of mixing and the diffusion coeffients of Li^+,K^+,F^- and Cl^- have been calculated. The results are in agreement with the experimental values.The regularities of the distribution of ions and mieroscopic holes are discussed based on the results of computerized simulation. 展开更多
关键词 alkali halide molten salt molecular dynamic method computerized simulation
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Establishment of Molecular Biological Method for Identification of Bacteria by 16S rDNA and gyrB Gene 被引量:2
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作者 Xiaxia HOU Yunxia WANG +1 位作者 Cuizhi LI Zhiyong LU 《Asian Agricultural Research》 2023年第4期21-25,共5页
[Objectives]The paper was to establish a molecular biological method for identification of bacterial strains.[Methods]The thalli of standard bacterial strains existing in the laboratory were collected and genomic DNA ... [Objectives]The paper was to establish a molecular biological method for identification of bacterial strains.[Methods]The thalli of standard bacterial strains existing in the laboratory were collected and genomic DNA was extracted for amplification of 16S rDNA and gyrB gene.The 16S rDNA and gyrB gene sequences were obtained after sequencing.Sequences were aligned and analyzed via EzBioCloud and NCBI database,and phylogenetic trees were constructed to determine the species relationship of strains.Meantime,they were compared with known strains.[Results]This method could identify 5 standard strains accurately to the species level.The 16S rDNA and gyrB gene sequences were aligned and analyzed in EzBioCloud database and NCBI database.The strain with the max score was consistent with the known strain.And the query cover and ident were both above 99%.[Conclusions]The established molecular biological method for identification of bacterial strains by 16S rDNA and gyrB gene has good accuracy,which effectively solves the problem that the laboratory identification of bacteria relies on traditional methods and the accuracy can not be guaranteed,and further improves the identification ability of laboratory bacterial strains. 展开更多
关键词 16S rDNA GYRB Bacterial identification molecular biological method
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A Modified Molecular Structural Mechanics Method for Analysis of Carbon Nanotubes 被引量:1
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作者 Ming-yuan Huang Hai-bo Chen +2 位作者 Ji-nan Lü Pin Lü Pei-qiang Zhang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第4期286-290,共5页
A modified molecular structural mechanics method, based on molecular mechanics and similar to the finite element method, was developed. The energy of a system was expressed by the force field functions of the molecula... A modified molecular structural mechanics method, based on molecular mechanics and similar to the finite element method, was developed. The energy of a system was expressed by the force field functions of the molecular mechanics. Under the small deformation assumption and by the principle of minimum potential energy, the system function was established. The properties of tension and bending of single-walled carbon nanotubes were analyzed. The Young's modulus is about 0.36 TPa nm, which agrees perfectly with the results of previous analysis by other researchers. It is found, for the first time, that the Young's moduli, for Zigzag nanotubes, are different from each other when the system energy was expressed as the sum of two or three individual energy terms in molecular mechanics. Whereas, the Young's moduli were the same for the Armchair nanotubes. It is found, when simulating the bending, that the deflections are closer to the theoretical ones, of the classical elasticity, when the diameter of the carbon nanotube increases. 展开更多
关键词 Carbon nanotube molecular mechanics molecular structural mechanics method
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Clinical Observation on Treatment of 78 Patients of B-Thalassemla with Bushen Ylsul (补肾益髓) Method and Study on Its Molecular Mechanism 被引量:6
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作者 吴志奎 蔡辉国 +7 位作者 方素萍 张新华 王蕾 陈玉英 吕鑫霞 黄有文 王荣新 陈佩珍 《Chinese Journal of Integrated Traditional and Western Medicine》 2003年第2期141-141,共1页
Objective: To study the treatment of B-Thalas-semia (ThE) with Chinese herbal medicine for Bushen Yisui (BSYS), its theoretical base and molecular mechanism. Methods: Seventy-eight patients with ThE were treated with ... Objective: To study the treatment of B-Thalas-semia (ThE) with Chinese herbal medicine for Bushen Yisui (BSYS), its theoretical base and molecular mechanism. Methods: Seventy-eight patients with ThE were treated with BSYS recipe (consisted of 11 Chinese herbal drugs as Dogwood fruit, Fleeceflower root, prepared Rehmannia root and turtle shell, etc.) orally taken, 3 times per day, 10 g/time, 3 months as one therapeutic course. Hemoglobin (Hb), red blood cell (RBC), reticulocyte (Ret) and hemoglobin F (HbF) were checked every month. At the same time, PAGE, PVR, PCR-SSCP, RT-PCR, DNA series analysis, mRNA gene expression analysis techniques were used to conduct the systematic gene analysis in patients to study the molecular mechanism of TCM treatment from aspects of gene mutation, gene expression and control-regulation. Results: All the blood criteria in patients after BSYS treatment were improved significantly with clinical symptoms 展开更多
关键词 of in gene method and Study on Its molecular Mechanism Clinical Observation on Treatment of 78 Patients of B-Thalassemla with Bushen Ylsul HbF on with
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The LBFGS quasi-Newtonian method for molecular modeling prion AGAAAAGA amyloid fibrils 被引量:1
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作者 Jiapu Zhang Yating Hou +2 位作者 Yiju Wang Changyu Wang Xiangsun Zhang 《Natural Science》 2012年第12期1097-1108,共12页
Experimental X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, dual polarization interferometry, etc. are indeed very powerful tools to determine the 3-Dimensional structure of a protein (including... Experimental X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, dual polarization interferometry, etc. are indeed very powerful tools to determine the 3-Dimensional structure of a protein (including the membrane protein);theoretical mathematical and physical computational approaches can also allow us to obtain a description of the protein 3D structure at a submicroscopic level for some unstable, noncrystalline and insoluble proteins. X-ray crystallography finds the X-ray final structure of a protein, which usually need refinements using theoretical protocols in order to produce a better structure. This means theoretical methods are also important in determinations of protein structures. Optimization is always needed in the computer-aided drug design, structure-based drug design, molecular dynamics, and quantum and molecular mechanics. This paper introduces some optimization algorithms used in these research fields and presents a new theoretical computational method—an improved LBFGS Quasi-Newtonian mathematical optimization method—to produce 3D structures of prion AGAAAAGA amyloid fibrils (which are unstable, noncrystalline and insoluble), from the potential energy minimization point of view. Because the NMR or X-ray structure of the hydrophobic region AGAAAAGA of prion proteins has not yet been determined, the model constructed by this paper can be used as a reference for experimental studies on this region, and may be useful in furthering the goals of medicinal chemistry in this field. 展开更多
关键词 Protein 3D Structure COMPUTATIONAL Approaches Optimization method molecular Modelling PRION AGAAAAGA AMYLOID FIBRILS
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Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin
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作者 Cleydson B. R. dos Santos Cleison C. Lobato +5 位作者 Josinete B. Vieira Davi S. B. Brasil Alaan U. Brito Williams J. C. Macêdo José Carlos T. Carvalho José C. Pinheiro 《Computational Molecular Bioscience》 2013年第3期66-79,共14页
In this paper, we evaluate semiempirical methods (AM1, PM3, and ZINDO), HF and DFT (B3LYP) in different basis sets to determine which method best describes the sign and magnitude of the geometrical parameters of artem... In this paper, we evaluate semiempirical methods (AM1, PM3, and ZINDO), HF and DFT (B3LYP) in different basis sets to determine which method best describes the sign and magnitude of the geometrical parameters of artemisinin in the region of the endoperoxide ring compared to crystallographic data. We also classify these methods using statistical analysis. The results of PCA were based on three main components, explaining 98.0539% of the total variance, for the geometrical parameters C3O13, O1O2C3, O13C12C12a, and O2C3O13C12. The DFT method (B3LYP) corresponded well with the experimental data in the hierarchical cluster analysis (HCA). The experimental and theoretical angles were analyzed by simple linear regression, and statistical parameters (correlation coefficients, significance, and predictability) were evaluated to determine the accuracy of the calculations. The statistical analysis exhibited a good correlation and high predictive power for the DFT (B3LYP) method in the 6-31G** basis set. 展开更多
关键词 ARTEMISININ molecular Modeling QUANTUM CHEMICAL methods STATISTICAL Analysis B3LYP/6-31G**
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Molecular Diagnosis of Sexually Transmitted Infection Reveals a High Frequency of Neisseria gonorrhoeae Infection among Male Urethritis Patients and Highlights the Usefulness of Molecular Testing for Clinical Diagnosis in Burkina Faso
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作者 Michel Kiréopori Gomgnimbou Azouman Da +6 位作者 Louis Robert W. Belem Kobo Gnada Karlhis Raymond Yao Arnaud Quetin Sanou Armel Moumouni Sanou Soufiane Sanou Dramane Kania 《American Journal of Molecular Biology》 2025年第1期123-134,共12页
Sexually transmitted infections (STIs) represent a public health problem due to their high prevalence worldwide and the emergence of multidrug resistance of responsible microorganisms. Medical laboratory diagnosis of ... Sexually transmitted infections (STIs) represent a public health problem due to their high prevalence worldwide and the emergence of multidrug resistance of responsible microorganisms. Medical laboratory diagnosis of sexually transmitted genital infections by traditional methods as culture remains extremely delicate, difficult or impossible (to find extremely fragile organisms that can be cultured). Thus, molecular techniques constitute an alternative to improve accurate diagnostic, personalized patient treatment, and public health. A total of 83 clinical samples including urethral discharge and urine samples from individual patients with symptoms of urethritis received were analyzed using traditional methods and a commercial real-time PCR (qPCR) method. Out of 83 urethritis patients, n = 55 (66.26%) were positive for at least one of the STI pathogens detected by qPCR. qPCR assay was more sensitive (50/83, positive cases) compared to culture (15/83, positive cases) and light microscopy (28/83, positive cases). The most prevalent NTD pathogen in the suspected patients was N. gonorrhoeae with 60.24% (50/83) based on real-time PCR diagnosis. Among the positive cases of STI pathogens, Neisseria gonorrhoeae had the highest frequency 49/55 (89.01%) followed by low frequencies of Trichomonas vaginalis 4/55 (7.27%) and Chlamydia trachomatis 1/55 (1.82%). This highlights the high prevalence of N. gonorrhoeae infection in male urethritis patients and a very important misdiagnosis using traditional routine methods in Burkina Faso by medical laboratories. Thus, this situation may negatively impact patients’ personalized treatment and care and public health with the possible rapid emergence of multidrug-resistant strains. This study also highlights the urgent need to optimize culture for the diagnosis of NTD pathogens in Burkina Faso and the usefulness and the need for the introduction of molecular diagnostic methods in routine diagnosis for the detection of NTD pathogens in the medical laboratories in Burkina Faso. 展开更多
关键词 molecular Diagnostic methods PATHOGENS Sexually Transmitted Infection URETHRITIS Burkina Faso
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Effect analysis on degradation mechanism of dioxins under hydrothermal conditions by molecular dynamic simulation
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作者 Zhengyong Xu Yan Du +3 位作者 Yan Liu Jintao Ou Jingwei Chen Huaming Xie 《Chinese Journal of Chemical Engineering》 2025年第4期274-280,共7页
The fly ash from waste incineration poses a serious threat to human health due to its high content of dioxins.Hydrothermal treatment is an efficient and clean method on the decomposition and detoxifying of fly ash.To ... The fly ash from waste incineration poses a serious threat to human health due to its high content of dioxins.Hydrothermal treatment is an efficient and clean method on the decomposition and detoxifying of fly ash.To study the degradation mechanism of dioxins,this paper uses molecular dynamics(MD)to simulate the hydrothermal reaction process of polychlorinated dibenzo-p-dioxins(PCDDs)under different conditions,and the degradation mechanism of PCDDs is obtained.The results show that the degradation of PCDDs includes two pathways:the first pathway is the substitution of Cl groups by hydroxyl groups to form low-chlorine substitution products through direct hydrogenation,and the second pathway is the formation of non-toxic benzene ring structures accompanied by the cleavage of C—O bonds.The two degradation pathways of PCDDs well explain the changes in toxicity before and after the hydrothermal treatment of fly ash,which is consistent with experimental results.This study provides theoretical guidance for the harmless treatment process of fly ash via hydrothermal method. 展开更多
关键词 Fly ash DIOXINS Hydrothermal reaction molecular dynamics method
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GALERKIN METHOD FOR COMPLETELY COMPRESSIBLE DISPLACEMENT WITH MOLECULAR DIFFUSION AND DISPERSION
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作者 CHENG AIJIE 《Applied Mathematics(A Journal of Chinese Universities)》 SCIE CSCD 1998年第1期59-67,共9页
In this paper, the numerical approximation by Galerkin method for completely compressible miscible displacement with molecular diffusion and dispersion in porous media is considered. Continuous time procedure is intro... In this paper, the numerical approximation by Galerkin method for completely compressible miscible displacement with molecular diffusion and dispersion in porous media is considered. Continuous time procedure is introduced and analysed. Some new techniques are applied to the analysis. Optimal error estimates in L ∞(J;H 1(Ω)) are proved, which implies an essential improvement to existed results. MR Subject Classification: 65N15,65N30. 展开更多
关键词 Compressible displacement molecular dispersion Galerkin method.
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GALERKIN METHOD FOR COMPRESSIBLE FLOW OF CONTAMINATION FROM NUCLEAR WASTE WITH MOLECULAR DIFFUSION AND DISPERSION
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作者 程爱杰 王高洪 《Numerical Mathematics A Journal of Chinese Universities(English Series)》 SCIE 1999年第1期39-52,共14页
Abstract A system of quasilinear coupled equations which arise from simulation of contamination of geologic nulear waste in porous media is studied. We’ll discuss Galerkin method for the model of compressible flow wi... Abstract A system of quasilinear coupled equations which arise from simulation of contamination of geologic nulear waste in porous media is studied. We’ll discuss Galerkin method for the model of compressible flow with molecular diffusion and dispersion. Some new techniques are introcued to error analysis. Only one dimensional case is considered. The optimal error estimate in both L^2 and H^1 is proved. A contribution of this paper is how the dispersion term can be handled, 展开更多
关键词 COMPRESSIBLE flow CONTAMINATION of nuclear waste molecular diffusion and DISPERSION GALERKIN finite element method optimal error estimate.
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Molecular detection of Helicobacter pylori antibiotic resistance in stool vs biopsy samples 被引量:9
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作者 Denise E Brennan Joseph Omorogbe +5 位作者 Mary Hussey Donal Tighe Grainne Holleran Colm O'Morain Sinéad M Smith Deirdre McNamara 《World Journal of Gastroenterology》 SCIE CAS 2016年第41期9214-9221,共8页
AIM To compare(1) demographics in urea breath test(UBT) vs endoscopy patients; and(2) the molecular detection of antibiotic resistance in stool vs biopsy samples.METHODS Six hundred and sixteen adult patients undergoi... AIM To compare(1) demographics in urea breath test(UBT) vs endoscopy patients; and(2) the molecular detection of antibiotic resistance in stool vs biopsy samples.METHODS Six hundred and sixteen adult patients undergoing endoscopy or a UBT were prospectively recruited to the study. The Geno Type Helico DR assay was used to detect Helicobacter pylori(H. pylori) and antibiotic resistance using biopsy and/or stool samples from CLOpositive endoscopy patients and stool samples from UBT-positive patients. RESULTS Infection rates were significantly higher in patients referred for a UBT than endoscopy(overall rates: 33% vs 19%; treatment-na?ve patients: 33% vs 14.7%, respectively). H. pylori-infected UBT patients were younger than H. pylori-infected endoscopy patients(41.4 vs 48.4 years, respectively, P < 0.005), with a higher percentage of H. pylori-infected males in the endoscopy-compared to the UBT-cohort(52.6% vs 33.3%, P = 0.03). The Geno Type Helico DR assay was more accurate at detecting H. pylori infection using biopsy samples than stool samples [98.2%(n = 54/55) vs 80.3%(n =53/66), P < 0.005]. Subset analysis using stool and biopsy samples from CLO-positive endoscopy patients revealed a higher detection rate ofresistance-associated mutations using stool samples compared to biopsies. The concordance rates between stool and biopsy samples for the detection of H. pylori DNA, clarithromycin and fluoroquinolone resistance were just 85%, 53% and 35%, respectively. CONCLUSION Differences between endoscopy and UBT patients provide a rationale for non-invasive detection of H. pylori antibiotic resistance. However, the Geno Type Helico DR assay is an unsuitable approach. 展开更多
关键词 Helicobacter pylori Antibiotic resistance CLARITHROMYCIN FLUOROQUINOLONE molecular methods
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Comparison of Genomic DNA Extraction Methods for Chenopodium quinoa Willd 被引量:4
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作者 陆敏佳 莫秀芳 +2 位作者 王勤 陆国权 蒋玉蓉 《Agricultural Science & Technology》 CAS 2015年第7期1343-1347,1446,共6页
To rapidly obtain high-quality genomic DNA from Chenopodium quinoa Willd, the genomic DAN in different tissues (leaves, stems and roots) of Chenopodi- um quinoa Willd was extracted by modified CTAB method, SDS metho... To rapidly obtain high-quality genomic DNA from Chenopodium quinoa Willd, the genomic DAN in different tissues (leaves, stems and roots) of Chenopodi- um quinoa Willd was extracted by modified CTAB method, SDS method and high- salt Iow-pH method, respectively. The quality and yield of extracted DNA was deter- mined using agarose gel electrophoresis and UV spectrophotometry. At the same time, the PCR-SSR and SSCP molecular detection was also performed. The results showed that the gel test strips, without obvious decomposition, of all the extraction methods were relatively obvious; the genomic DNA yield extracted by modified CTAB method was highest, followed by that by SDS method, and the genomic DNA extracted by high-salt Iow-pH method was lowest: the genomic DNA yields extracted by different methods from Chenopodium quinoa Wiltd leaves were all high- er than those from roots and stems; the quality of Chenopodium quinoa Willd ge- nomic DNA extracted by modified CTAB method and high-salt Iow-pH method was better, and polyphenols, polysaccharides and other impurities were removed more completely. The PCR-SSR and SSCP detection results showed that the genomic DNA extracted by different methods from different tissues of Chenopodium quinoa Willd all could be better amplified, and high-quality strips could be obtained. So the Chenopodium quinoa Willd genomic DNA extracted by the three methods all can be used for subsequent molecular biology research. 展开更多
关键词 Chenopodium quinoa Willd DNA extraction method molecular detection SSR: SSCP
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Molecular approaches for the detection and monitoring of microbial communities in bioaerosols:A review 被引量:14
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作者 Keunje Yoo Tae Kwon Lee +4 位作者 Eun Joo Choi Jihoon Yang Sudheer Kumar Shukla Sang-il Hwang Joonhong Park 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2017年第1期234-247,共14页
Bioaerosols significantly affect atmospheric processes while they undergo long-range vertical and horizontal transport and influence atmospheric chemistry and physics and climate change.Accumulating evidence suggests ... Bioaerosols significantly affect atmospheric processes while they undergo long-range vertical and horizontal transport and influence atmospheric chemistry and physics and climate change.Accumulating evidence suggests that exposure to bioaerosols may cause adverse health effects,including severe disease.Studies of bioaerosols have primarily focused on their chemical composition and largely neglected their biological composition and the negative effects of biological composition on ecosystems and human health.Here,current molecular methods for the identification,quantification,and distribution of bioaerosol agents are reviewed.Modern developments in environmental microbiology technology would be favorable in elucidation of microbial temporal and spatial distribution in the atmosphere at high resolution.In addition,these provide additional supports for growing evidence that microbial diversity or composition in the bioaerosol is an indispensable environmental aspect linking with public health. 展开更多
关键词 Bioaerosol Airborne microbial community molecular methods Metagenomics
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黄芪及制剂中LPCR分子鉴定方法的建立
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作者 田艳秋 黄灵鹤 +1 位作者 谭朝阳 徐德宏 《安徽农业科学》 2026年第3期176-181,共6页
[目的]采用连接依赖PCR(LPCR)技术建立黄芪及其制剂中黄芪的分子鉴定方法。[方法]根据黄芪的单核苷酸多态性(SNP)位点,设计杂交探针和PCR引物,并对检测条件进行优选,考查方法的特异性,并对市售古汉养生精和贞芪扶正颗粒样品进行检测。[... [目的]采用连接依赖PCR(LPCR)技术建立黄芪及其制剂中黄芪的分子鉴定方法。[方法]根据黄芪的单核苷酸多态性(SNP)位点,设计杂交探针和PCR引物,并对检测条件进行优选,考查方法的特异性,并对市售古汉养生精和贞芪扶正颗粒样品进行检测。[结果]所建立的LPCR方法具有良好的特异性和准确性,所有黄芪药材、古汉养生精和贞芪扶正颗粒均成功进行了荧光扩增,电泳检测出相应的黄芪条带,且易混品红芪和缺黄芪阴性样品对检测结果无干扰。[结论]该研究所建立的LPCR方法可准确鉴别出制剂中的黄芪DNA,适用于降解严重DNA产品的检测,为中药制剂中质量控制和市场监管提供有力工具。 展开更多
关键词 LPCR 黄芪 制剂 分子鉴定方法
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基于UPLC-MS与网络药理学探究参芪补气颗粒治疗气虚证“异病同治”的潜在药效物质
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作者 祁昱彤 苗兰 +2 位作者 彭勍 孟硕 刘建勋 《中国中医基础医学杂志》 2026年第2期283-290,共8页
目的通过参芪补气颗粒成分分析和网络药理学及分子对接技术探究参芪补气颗粒“异病同治”气虚型慢性萎缩性胃炎、肾小球肾炎、阻塞性肺病、肝硬化和心力衰竭的物质基础和分子机制。方法以耐缺氧和抗疲劳作为改善气虚证的评价标准,进行常... 目的通过参芪补气颗粒成分分析和网络药理学及分子对接技术探究参芪补气颗粒“异病同治”气虚型慢性萎缩性胃炎、肾小球肾炎、阻塞性肺病、肝硬化和心力衰竭的物质基础和分子机制。方法以耐缺氧和抗疲劳作为改善气虚证的评价标准,进行常压/低张性缺氧和负重游泳实验,通过比较各组小鼠的耐缺氧和负重游泳时间,评价参芪补气颗粒对气虚证的药效作用。采用UPLC-Q/TOF-MS技术系统表征与鉴定其化学成分,构建复方“化学成分-异病同治靶点”网络,经拓扑参数分析鉴定关键活性成分与核心靶点;最终采用AutoDock Tools完成活性成分和靶标分子对接验证。结果药效实验表明,与正常对照组比较,给药组小鼠常压缺氧条件下的存活时间及负重游泳时间均延长,表明参芪补气颗粒具有明显的耐缺氧及抗疲劳作用。参芪补气颗粒鉴定出共有成分44个,包括皂苷、黄酮、核苷等其他类成分。网络药理学获得参芪补气颗粒“异病同治”靶点72个,筛选出芒柄花苷、毛蕊异黄酮、人参皂苷Rg_(1)、黄芪紫檀烷苷等23个重要成分和AR、IL2、VEGFA、EGFR等关键靶点,这些靶点参与对细胞增殖、凋亡等生物过程的调控,涉及高级糖基化终末产物-受体(AGE-RAGE)、磷脂酰肌醇3激酶/蛋白激酶B(PI3K-Akt)、肿瘤坏死因子(TNF)、缺氧诱导因子-1α(HIF-1α)信号通路等。结论本研究初步阐释了参芪补气颗粒通过多成分、多靶点和多通路联合作用发挥治疗5种气虚型慢性疾病“异病同治”的作用,为其深入开发和应用提供了一定的基础。 展开更多
关键词 参芪补气颗粒 药效学 成分分析 网络药理学 异病同治 分子对接
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葡萄酒非酿酒酵母菌种鉴定与菌株分型的分子生物学研究进展
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作者 苏雅萍 孙悦 《食品与发酵工业》 北大核心 2026年第4期394-403,共10页
非酿酒酵母(non-Saccharomyces)作为葡萄酒发酵过程中的关键功能微生物,其代谢活动不仅直接影响发酵速率,还能通过分泌芳香物质、调节甘油含量和降低乙醇浓度等途径显著提升葡萄酒的品质。值得注意的是,这些功能表现具有显著的种属特异... 非酿酒酵母(non-Saccharomyces)作为葡萄酒发酵过程中的关键功能微生物,其代谢活动不仅直接影响发酵速率,还能通过分泌芳香物质、调节甘油含量和降低乙醇浓度等途径显著提升葡萄酒的品质。值得注意的是,这些功能表现具有显著的种属特异性和菌株依赖性,这使得建立快速、准确的非酿酒酵母分型技术成为葡萄酒研究和产业应用的重要需求。然而,目前针对这类酵母的分子鉴定与分型工具仍相对有限,且缺乏系统的技术比较与综合评价。基于此,该文系统梳理了当前非酿酒酵母菌种鉴定和菌株区分的主要分子技术,详细阐述了各类技术的原理特征、操作流程、应用优势及局限性,同时总结了该领域的最新研究进展,旨在为科研工作者和产业技术人员选择适宜的鉴定分型方法提供理论依据和技术参考。 展开更多
关键词 非酿酒酵母 基因分型 分子技术 随机扩增多态性DNA tandem repeat-tRNA指纹图谱法
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靶向炎症细胞因子治疗脑卒中的机制:开放全基因组关联研究大数据分析
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作者 程乐 朱才丰 +6 位作者 周冰原 高大红 崔晓雅 李静 王雪伟 杨高尚 陈希阳 《中国组织工程研究》 北大核心 2026年第12期3198-3216,共19页
背景:炎症是脑卒中病理生理过程的关键组成部分,然而脑卒中与炎症之间的因果关系仍不清楚。目的:采用孟德尔随机化及分子对接技术探索91种靶向炎症细胞因子的脑卒中治疗机制。方法:从开放全基因组关联研究数据库(IEU Open GWAS,https://... 背景:炎症是脑卒中病理生理过程的关键组成部分,然而脑卒中与炎症之间的因果关系仍不清楚。目的:采用孟德尔随机化及分子对接技术探索91种靶向炎症细胞因子的脑卒中治疗机制。方法:从开放全基因组关联研究数据库(IEU Open GWAS,https://gwas.mrcieu.ac.uk/,由英国布里斯托大学医学研究委员会综合流行病学单位主办)中获得炎症细胞因子及脑卒中的数据,使用逆方差加权法作为主要研究方法进行两样本孟德尔随机化分析,评估91种炎症细胞因子与脑卒中之间的因果关系。随后基于孟德尔随机化研究结果进行了基因本体分析和京都基因与基因组通路分析,并构建了蛋白质-蛋白质相互作用网络。使用美国西奈山伊坎医学院建立的Enrichr数据库(http://amp.pharm.mssm.edu/Enrichr)和美国科罗拉多大学丹佛分校建立的药物特征数据库(http://tanlab.ucdenver.edu/dsigdb)进行脑卒中治疗药物预测,并使用AutoDock软件进行分子对接,通过Discovery Studio2019对结果进行可视化。结果与结论:(1)发现11种炎症细胞因子与全因脑卒中风险之间存在显著的因果关联;9种炎症细胞因子与缺血性脑卒中风险呈强相关;6种细胞因子与大动脉脑卒中风险显著相关;7种炎症细胞因子与心源性栓塞性脑卒中风险呈显著因果关系;12种细胞因子与小血管脑卒中风险显著相关;3种炎症细胞因子与脑内出血风险具有显著的因果关联;(2)基因本体分析和京都基因与基因组通路分析揭示,炎症细胞因子在代谢、炎症及免疫反应等方面对脑卒中具有重要影响;(3)通过蛋白质-蛋白质相互作用网络分析,筛选出与脑卒中密切相关的10种炎症细胞因子;(4)药物预测和分子对接结果表明,阿托伐他汀和氟氢可的松与关键核心靶点白细胞介素18和CCL3的结合力较高;(5)此次研究的数据来源于国际数据库中的欧洲人群,所获得的结果可为中国脑卒中的遗传流行病学研究提供参考;(6)此次研究阐明了炎症细胞因子与脑卒中之间的因果关系,揭示了炎症细胞因子治疗脑卒中的机制,为脑卒中的治疗提供了新思路。 展开更多
关键词 脑卒中 炎症细胞因子 孟德尔随机化 因果关系 药物预测 分子对接 逆方差加权法
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稠油分子间相互作用及致黏机制的分子模拟研究
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作者 周冰 伦增珉 +2 位作者 张杰 方吉超 燕友果 《石油钻探技术》 北大核心 2026年第1期157-164,共8页
稠油中重质组分通过各种分子间作用形成稳定的聚集体,对稠油的高黏度具有重要贡献,但目前缺乏这些相互作用对稠油黏度贡献的量化研究。以胜利油田郑364区块稠油的典型平均分子结构为基础,采用改进的B−L法构建了其分子组分模型;结合分子... 稠油中重质组分通过各种分子间作用形成稳定的聚集体,对稠油的高黏度具有重要贡献,但目前缺乏这些相互作用对稠油黏度贡献的量化研究。以胜利油田郑364区块稠油的典型平均分子结构为基础,采用改进的B−L法构建了其分子组分模型;结合分子动力学模拟,应用“组分抽离法”,系统考察了重质组分质量分数变化对体系黏度的影响规律;并采用主成分分析法(PCA),定量分析了范德华力、氢键和π−π堆积等分子间相互作用与宏观黏度的内在关联。模拟结果表明,沥青质与胶质是稠油致黏的关键组分,明确了胶质和沥青质对黏度的贡献主要来源分别为π−π堆积和氢键作用。郑364区块稠油中,组分间氢键相互作用对体系黏度的贡献度最为显著。通过耦合“组分抽离法”与PCA统计分析,在分子尺度上定量揭示了稠油组分及其相互作用对黏度的贡献,明确了稠油致黏机制,为高效降黏剂的筛选提供了理论依据。 展开更多
关键词 稠油 分子间作用 分子模拟 主成分分析法 致黏机制
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稀土Sm掺杂对Cu-SSZ-39分子筛的结构调控及NH_(3)-SCR性能增强机理
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作者 李渊 杨东旭 曹依凡 《天津工业大学学报》 北大核心 2026年第1期31-37,共7页
为了提高Cu-SSZ-39分子筛在NH_(3)选择性催化还原(NH_(3)-SCR)反应中的催化性能,通过离子交换法制备了Cu-Sm-SSZ-39分子筛,并使用X射线衍射、NH_(3)程序升温脱附等表征手段研究了掺杂Sm对Cu-SSZ-39分子筛的性能影响。结果表明:在400~60... 为了提高Cu-SSZ-39分子筛在NH_(3)选择性催化还原(NH_(3)-SCR)反应中的催化性能,通过离子交换法制备了Cu-Sm-SSZ-39分子筛,并使用X射线衍射、NH_(3)程序升温脱附等表征手段研究了掺杂Sm对Cu-SSZ-39分子筛的性能影响。结果表明:在400~600℃的高温范围内,Cu-Sm-SSZ-39的NO转化率始终维持在60%以上,其NO转化率比相同温度下的Cu-SSZ-39的NO转化率高3%~9%;Cu-Sm-SSZ-39可以在183~513℃内保持80%以上的NO转化率,与Cu-SSZ-39相比这一范围增大了7.3%;经过水热老化后Cu-Sm-SSZ-39的比表面积降低了0.5%~1.8%,比表面积的损失量要小于Cu-SSZ-39的损失量;Sm3+还可以在水热老化过程中减少分子筛中的酸性位点和活性Cu物种的损失,减小因Cu^(2+)迁移现象而生成的CuO_(x)团簇的含量。 展开更多
关键词 稀土Sm SSZ-39分子筛 NH_(3)-SCR反应 离子交换法 催化性能
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