检索结果-南通市图书馆

Ligand based Virtual Screening of Molecular Compounds in Drug Discovery Using GCAN Fingerprint and Ensemble Machine Learning Algorithm

引用

Computer Systems Science & Engineering 2023年第12期47卷 3033-3048页

作者： r.Ani O.S.Deepa b.r.manju Department of Computer Science and Applications Amrita Vishwa VidyapeethamAmritapuriIndia Department of Mathematics Amrita Vishwa VidyapeethamCoimbatoreIndia

The drug development process takes a long time since it requires sorting through a large number of inactive compounds from a large collection of compounds chosen for study and choosing just the most pertinent compounds that can bind to a disease *** use of virtual screening in pharmaceutical research is growing in *** the early phases of medication research and development,it is *** compound searches are nowmore narrowly *** the databases containmore andmore ligands,thismethod needs to be quick and *** network fingerprints were created more effectively than the well-known Extended Connectivity Fingerprint(ECFP).Only the largest sub-graph is taken into consideration to learn the representation,despite the fact that the conventional graph network generates a better-encoded *** using the average or maximum pooling layer,it also contains unrelated *** article suggested the Graph Convolutional Attention Network(GCAN),a graph neural network with an attention mechanism,to address these ***,it makes the nodes or sub-graphs that are used to create the molecular fingerprint more *** generated fingerprint is used to classify drugs using ensemble *** base classifiers,ensemble stacking is applied to Support Vector Machines(SVM),random Forest,Nave bayes,Decision Trees,Adaboost,and Gradient *** compared to existing models,the proposed GCAN fingerprint with an ensemble model achieves relatively high accuracy,sensitivity,specificity,and area under the ***,it is revealed that our ensemble learning with generated molecular fingerprint yields 91%accuracy,outperforming earlier approaches.

关键词： Drug likeness prediction machine learning ligand-based virtual screening molecular fingerprints ensemble algorithms

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Parenteral nanosuspensions:a brief review from solubility enhancement to more novel and specific applications

引用

Acta Pharmaceutica Sinica b 2018年第5期8卷 733-755页

作者： Eknath Ahire Shreya Thakkar Mahesh Darshanwad manju Misra Department of Pharmaceutics National Institute of Pharmaceutical Education and Research (NIPER)

Advancements in in silico techniques of lead molecule selection have resulted in the failure of around 70% of new chemical entities(NCEs). Some of these molecules are getting rejected at final developmental stage resulting in wastage of money and resources. Unfavourable physicochemical properties affect ADME profile of any efficacious and potent molecule, which may ultimately lead to killing of NCE at final stage. Numerous techniques are being explored including nanocrystals for solubility enhancement purposes. Nanocrystals are the most successful and the ones which had a shorter gap between invention and subsequent commercialization of the first marketed product. Several nanocrystal-based products are commercially available and there is a paradigm shift in using approach from simply being solubility enhancement technique to more novel and specific applications. Some other aspects in relation to parenteral nanosuspensions are concentrations of surfactant to be used, scalability and in vivo fate. At present, there exists a wide gap due to poor understanding of these critical factors,which we have tried to address in this review. This review will focus on parenteral nanosuspensions,covering varied aspects especially stabilizers used, GrAS(Generally recognized as Safe) status of stabilizers, scalability challenges, issues of physical and chemical stability, solidification techniques to combat stability problems and in vivo fate.

关键词： Parenteral Nanosuspension Stabilizer In vivo fate Solidification Scalability

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

红鳍笛鲷幼鱼对不同开孔形状和尺寸人工鱼礁模型的行为偏好探究

引用

南方水产科学 2024年第5期20卷 42-52页

作者：江满菊郭禹秦传新辛益赵心冉于刚马振华杨育凯中国水产科学研究院南海水产研究所/国家渔业资源环境大鹏观测实验站/农业农村部海洋牧场重点实验室广东广州510300 大连海洋大学水产与生命学院辽宁大连116023 三亚热带水产研究院/海南省深远海渔业资源高效利用与加工重点实验室海南三亚572018 中国水产科学研究院南海水产研究所深圳试验基地广东深圳518121 广东省农业技术推广中心广东广州510520

人工鱼礁构建对维护海洋生态和保护渔业资源至关重要。在人工鱼礁设计中,开孔形状和尺寸是关键要素,对鱼类的聚集行为有着显著性影响。针对人工鱼礁区常见的礁栖鱼类红鳍笛鲷(Lutjanus erythropterus),设计制作了不同开孔形状(圆形、正... 详细信息

人工鱼礁构建对维护海洋生态和保护渔业资源至关重要。在人工鱼礁设计中,开孔形状和尺寸是关键要素,对鱼类的聚集行为有着显著性影响。针对人工鱼礁区常见的礁栖鱼类红鳍笛鲷(Lutjanus erythropterus),设计制作了不同开孔形状(圆形、正方形、菱形)和尺寸(1.0、2.0、3.0、4.0 cm)的人工鱼礁模型,观察了在室内实验池中其对幼鱼的吸引作用及其行为变化。结果显示,在未设置人工鱼礁模型的情况下,幼鱼主要聚集在实验池的边缘区域;而放入鱼礁模型后,幼鱼在鱼礁区的平均分布比例显著上升(p0.05),但菱形处理组的比例最高[(19.84±6.08)%]。在开孔尺寸的研究中,3个处理组的平均分布率存在显著性差异(p<0.05),4.0 cm尺寸组(约为幼鱼体高的2.0倍)最高[(25.36±5.04)%],1.0 cm尺寸组(约为幼鱼体高的0.5倍)最低[(14.54±3.09)%]。在活动能力方面,人工鱼礁模型实验组与空白对照组有明显差异。幼鱼在人工鱼礁模型中的平均速度从对照组的(13.36±5.21)cm·s^(-1)降至(4.29±1.59)cm·s^(-1),平均加速度从(106.93±69.17)cm·s^(-2)降至(54.45±21.47)cm·s^(-2),活动时间百分比从(68.01±8.61)%减至(40.29±11.85)%,且在圆形、正方形和菱形4.0 cm组中均为最低。研究表明,这一阶段的红鳍笛鲷幼鱼对开孔为圆形、尺寸为4.0 cm组的人工鱼礁模型有最强的趋向性,同时其活跃程度相对较低,诱集效果最为显著。

关键词：人工鱼礁红鳍笛鲷诱集效果行为响应

来源：

维普期刊数据库

同方期刊数据库博看期刊评论

在线全文

学校读者我要写书评

暂无评论

role of mucoadhesive polymers in enhancing delivery of nimodipine microemulsion to brain via intranasal route

引用

Acta Pharmaceutica Sinica b 2014年第2期4卷 151-160页

作者： rudree Pathak ranjeet Prasad Dash manju Misr Manish Nivsarkar Department of Pharmaceutics National Institute of Pharmaceutical Education and Research-AhmedabadC/O–B.V.Patel Pharmaceutical Education and Research Development(PERD)CentreAhmedabad 380054GujaratIndia Department of Pharmacology and Toxicology B.V.Patel Pharmaceutical Education and Research Development(PERD)CentreAhmedabad 380054GujaratIndia

Intranasal drug administration is receiving increased attention as a delivery method for by-passing the blood–brain barrier and rapidly targeting therapeutics to the ***,rapid mucociliary clearance in the nasal cavity is a major *** purpose of this study was to evaluate the effect of mucoadhesive polymers in enhancing the delivery of nimodipine microemulsion to the brain via the intranasal *** optimized mucoadhesive microemulsion was characterized,and the in vitro drug release and in vivo nasal absorption of drug from the new formulation were evaluated in *** optimized formulation consisted of Capmul MCM as oil,Labrasol as surfactant,and Transcutol P as co-surfactant,with a particle size of 250 nm and zeta potential value of?15 *** vitro and ex vivo permeation studies showed an initial burst of drug release at 30 min and sustained release up to 6 h,attributable to the presence of free drug entrapped in the mucoadhesive *** vivo pharmacokinetic studies in rats showed that the use of the mucoadhesive microemulsion enhanced brain and plasma concentrations of *** results suggest that incorporation of a mucoadhesive agent in a microemulsion intranasal delivery system can increase the retention time of the formulation and enhance brain delivery of drugs.

关键词： blood–brain barrier Entrapment Permeation Pharmacokinetics Nasal mucosa

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

relationship between species richness,taxonomic distinctness,functional diversity,and local contribution toβdiversity and effects of habitat disturbance in the riparian spider community of the Ganga river,India

引用

Ecological Processes 2023年第1期12卷 204-216页

作者： Kritish De Amar Paul Singh Arkojyoti Sarkar Kritika Singh manju Siliwal Virendra Prasad Uniyal Syed Ainul Hussain Wildlife Institute of India ChandrabaniDehradun 248001India Present Address:Department of Life Sciences Sri Sathya Sai University for Human ExcellenceNavanihalOkali PostKamalapurKalaburagiKarnataka 585313India

background In the riverine riparian ecosystem,particularly in India,the knowledge of the effects of habitat disturbance on taxonomic distinctness,functional diversity,and local contribution toβdiversity(LCbD)of spider community is *** present study examined the relationships between the index of taxonomic distinctness(Δ^(+)),index of variation in taxonomic distinctness(λ^(+)),functional evenness(FEve),functional divergence(FDiv),functional dispersion(FDis),and LCbD of spider community of the Ganga river and the effects of habitat disturbance on these indices.A total of 27 sampling sites were selected along the bank of the Ganga *** on the rating of the disturbance scores,the sites were classified into lowly,moderately,and highly disturbed *** understand the relationships between species richness,Δ^(+),λ^(+),FDis,FDiv,FEve,LCbD,and habitat disturbance score,Pearson’s correlation was calculated,followed by the linear regression *** one-way multivariate analysis of variance was used to find differences in taxonomic distinctness and functional diversity in the different disturbed *** Significant relationships were found betweenλ^(+)andΔ^(+),FDis andΔ^(+),FDis andλ^(+),FDiv and species richness,FEve and species richness,FEve andλ^(+),FEve and habitat disturbance,LCbD and FEve,and LCbD and habitat disturbance.A significant difference was present in the indices of functional diversity between the lowly,moderately,and highly disturbed ***,garbage dump,human settlement,and created embankment influenced the spider community’sλ^(+),FEve,and *** Unrestrained anthropogenic activities exacerbate habitat disturbance by affecting ecological ***,understanding linkages between ecosystem disturbance,taxonomic,functional,andβdiversity can be fundamental to managing and conserving natural *** work highlights the importance of including taxonomic and functional diversity to comprehend the impact of habit

关键词： Habitat disturbance Taxonomic distinctness Functional evenness Functional divergence Functional dispersion Local contribution to beta diversity Spider community riparian area Ganga river

来源：

维普期刊数据库

同方期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Effects of chelating agents on protein, oil, fatty acids, and minerals in soybean seed

引用

Agricultural Sciences 2012年第4期3卷 517-523页

作者： Mudlagiri b. Goli manju Pande Nacer bellaloui Crop Genetics research Unit USDA-ARS 141 Experiment Station Road Stoneville MS 38776 U.S.A. Natural Sciences and Environmental Health Mississippi Valley State University Itta Bena MS 38941 USA

Soybean seed is a major source of protein and oil for human diet. Since not much information is available on the effects of chelating agents on soybean seed composition constituents, the current study aimed to investigate the effects of various chelating agents on soybean [(Glycine max (L.) Merr.)] seed protein, oil, fatty acids, and mineral concentrations. Three chelating agent [citric acid (CA), disodium EDTA (DA), and Salicylic acid (SA)] were applied separately or combined with ferrous (Fe2+) ion (CA + Fe, EDTA + Fe, and SA + Fe) to three-week-old soybean plants. After application, the plants were allowed to grow until harvest maturity under greenhouse conditions. The results showed that CA, DA, SA, and Fe resulted in an increase of oleic acid from 13.0% to 33.5%. However, these treatments resulted in a decrease of linolenic acid from 17.8 to 31.0%. The treatments with CA and SA applications increased protein from 2.9% to 3.4%. The treatments DA + Fe and SA + Fe resulted in an increase in oil from 6.8% to 7.9%. Seed macro- and micro-elements were also altered. The results indicated that the CA, SA, DA, and Fe treatments can alter seed protein, oil, fatty acids, and mineral concentrations. Further studies are needed for conclusive results.

关键词： Chelating Agents Fatty Acids Minerals Oil Protein Soybean Seed Composition

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Effect of Foliar and Soil Application of Potassium Fertilizer on Soybean Seed Protein, Oil, Fatty Acids, and Minerals

引用

American Journal of Plant Sciences 2014年第5期5卷 541-548页

作者： manju Pande Mudlagiri b. Goli Nacer bellaloui Crop Genetics research Unit United States Depart-ment of Agriculture Agricultural Research Service Stoneville USA Department of Natural Sciences and Environmental Health Mississippi Valley State University Itta Bena USA

The objective of this research was to evaluate the effectiveness of soil and foliar application of potassium (K) on leaf and seed mineral concentration levels, and seed composition (protein, oil, fatty acids, and minerals). Soybean cultivar (Pioneer 95470) of maturity group 5.7 was grown in a repeated greenhouse experiment in a randomized complete block design. Treatment consisted of two concentrations of foliar K application (T1, rate of 1.75% and T2, rate of 2.5%) and soil application (T3, rate of 190 mg/kg and T4, rate of 380 mg/kg). Potassium was applied for each type at V3 (vegetative) and r3 (beginning of seed pod initiation) stages. The results showed higher K and S concentrations in leaves in T1 and T2. The concentrations of b and Zn decreased in all treatments, whereas Fe concentration increased in T1 and T3. In seeds, most mineral concentrations were stable, except for Fe which increased in both T1 and T3. Seed protein percentage increased 3.0% in T3 compared with the control (no K application). Seed oil percentage showed a general decrease in all the treatments, except for 3.2% increase in T4. Palmitic acid percentages showed significant increase in all concentrations, the highest percentage increase of 16.9% was observed in T4. Stearic acid increased in T2 and T3. Linoleic acid percentages increased in both foliar treatments, but linolenic acid percentage increased in high soil treatment T4 alone, with an increase of 12.2% in comparison to the control. Significant decrease (15.8%) in linoleic acid was found in foliar application, T2. Oleic acid decreased uniformly in all treatments, where the highest decrease (19.2%) was observed in soil application, T4. Our research demonstrated that both foliar and soil application of K were found to selectively alter seed composition. Further research is needed to be conducted under field conditions before conclusions can be made.

关键词： Potassium Soybean Seed Minerals Seed Composition Foliar Application

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

术前炎症指标和CA-125诊断卵巢子宫内膜异位症的临床意义

术前炎症指标和CA-125诊断卵巢子宫内膜异位症的临床意义

引用

作者： manju b C（曼珠）延边大学

学位级别：硕士

目的:探讨术前中性粒细胞与淋巴细胞比值(neutrophil to lymphocyte ratio,NLr),血小板与淋巴细胞比值(platelet to lymphocyte ratio,PLr)及 CA-125 诊断卵巢子宫内膜异位症的临床意义。方法:收集2016年1月至2018年10月间在延边大学附... 详细信息

目的:探讨术前中性粒细胞与淋巴细胞比值(neutrophil to lymphocyte ratio,NLr),血小板与淋巴细胞比值(platelet to lymphocyte ratio,PLr)及 CA-125 诊断卵巢子宫内膜异位症的临床意义。方法:收集2016年1月至2018年10月间在延边大学附属医院妇产科利用腹腔镜手术的卵巢子宫内膜异位症149例(病例组),良性卵巢囊肿46例(良性组),术前病例经病理证实,另选取同期健康女性36例(健康对照组)。记录各组外周血中性粒细胞、淋巴细胞、单核细胞绝对值及血小板计数,并计算中性粒细胞、NLr、MLr和PLr,全部患者检测血清CA-125含量。采用逻辑回归评估各组NLr、PLr、MLr和CA-125在卵巢子宫内膜异位症的临床意义。结果:1.病例组痛经发生率高于健康对照组和良性组(Pr,PLr比值均高于良性组和健康对照组(Pr 曲线下面积 0.867 with 95%CI=0.813-0.922,Pr 曲线下面积 0.682 with 95%CI=0.603-0.761,Pr,PLr和CA125是可作为卵巢子宫内膜异位症独立的诊断指标。年龄>41 岁(Or:0.142,95%CI:0.044-0.452,Pr和rDW与卵巢子宫内膜异位症的发展无明显相关。结论:***,PLr和CA125是术前诊断卵巢子宫内膜异位症的新的参考指标。2.年龄>41岁是发生子宫内膜异位症的保护因素,可能与雌激素水平低相关。

关键词：中性粒细胞与淋巴细胞比率(NLr) 血小板与淋巴细胞比率(PLr) CA125 卵巢子宫内膜异位症

来源：

同方学位论文库评论

在线全文

同方学位论文库

学校读者我要写书评

暂无评论

Urban Heat Island Assessment for a Tropical Urban Airshed in India

引用

Atmospheric and Climate Sciences 2012年第2期2卷 127-138页

作者： manju Mohan Yukihiro Kikegawa b. r. Gurjar Shweta bhati Anurag Kandya Koichi Ogawa Centre for Atmospheric Sciences Indian Institute of Technology-Delhi Delhi India Department of Civil Engineering Indian Institute of Technology Roorkee India Department of Environmental Systems Meisei University Hino Tokyo Japan

There has been paucity of field campaigns in India in past few decades on the urban heat island intensities (UHI). remote sensing observations provide useful information on urban heat island intensities and hotspots as supplement or proxy to in-situ surface based measurements. A case study has been undertaken to assess and compare the UHI and hotspots based on in-situ measurements and remote sensing observations as the later method can be used as a proxy in absence of in-situ measurements both spatially and temporally. Capital of India, megacity Delhi has grown by leaps and bounds during past 2 - 3 decades and strongly represents tropical climatic conditions where such studies and field campaigns are practically non-existent. Thus, a field campaign was undertaken during summer, 2008 named DELHI-I (Delhi Experiments to Learn Heat Island Intensity-I) in this megacity. Urban heat island effects were found to be most dominant in areas of dense built up infrastructure and at commercial centers. The heat island intensity (UHI) was observed to be higher in magnitude both during afternoon hours and night hours (maximum up to 8.3?C) similar to some recent studies. The three high ranking urban heat island locations in the city are within commercial and/or densely populated areas. The results of this field campaign when compared with MODIS-Terra data of land surface temperature revealed that UHI hotspots are comparable only during nighttime. During daytime, similar comparison was less satisfactory. Further, available relationship of maximum UHI with population data is applied for the current measurements and discussed in the context of maximum UHI of various other countries.

关键词： Urban Heat Island Land-Use Land-Cover Micrometeorological Experiments remote Sensing Anthropogenic Emissions

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Toll样受体2对儿童肺炎支原体肺炎肺部炎症表现和肿瘤坏死因子-α的调节作用

引用

安徽医药 2024年第4期28卷 680-684页

作者：刘满菊王小稳陈丹邰亚辉孙晓敏郑州大学附属儿童医院西区门诊部河南郑州450000

目的探讨Toll样受体2(TLr2)对肺炎支原体肺炎(MPP)病儿肺部炎症表现和肿瘤坏死因子-α(TNF-α)的调节作用。方法选取2021年1月至2022年1月郑州大学附属儿童医院诊治的MPP病儿27例,其中难治性肺炎支原体肺炎(rMPP)病儿12例、MPP病儿15... 详细信息

目的探讨Toll样受体2(TLr2)对肺炎支原体肺炎(MPP)病儿肺部炎症表现和肿瘤坏死因子-α(TNF-α)的调节作用。方法选取2021年1月至2022年1月郑州大学附属儿童医院诊治的MPP病儿27例,其中难治性肺炎支原体肺炎(rMPP)病儿12例、MPP病儿15例。选取非感染病儿12例作为对照(NC)组。检测并比较不同病儿外周血TLr和TNF-α的表达,培养A549细胞并比较其与中性粒细胞肺炎支原体(MP)刺激的TNF-α表达,以及TLr2敲除后MP刺激的TNF-α表达。结果 MPP病儿血清TNF-α水平高于NC组,且rMPP组高于MPP组(PrMPP组外周血中性粒细胞TLr1和TLr2mrNA高于MPP组(Pr2 mrNA高于NC组(Pr2(A549细胞:3 760.17±772.06,中性粒细胞:4 224.00±711.12)表达显著高于NC组(Pr2敲除后A549细胞后,与对照组相比,TLr2敲除的细胞MP刺激诱导的TNF-α表达受到显著抑制。蛋白质印迹法显示,MP刺激A549细胞中MyD88和NF-κb蛋白表达均明显增加(Pb可明显减弱MP诱导的A549细胞TNF-α表达(Pr2可调节MPP通过TLr2-MyD88-NF-κb信号通路介导的肺部炎症和TNF-α释放。

关键词：肺炎支原体 Toll样受体2 肿瘤坏死因子-α 中性粒细胞 NF-κb

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：