首页 > 最新文献

College & Research Libraries最新文献

英文 中文
Experimental and computational investigations of some new cabamothioate compounds 一些新的氨基甲酸酯化合物的实验和计算研究
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.22034/CRL.2020.250849.1081
N. Shajari, H. Yahyaei, A. Ramazani
The new derivatives of S-aryl (trichloroacetyl) carbamothioate were prepared from a two-component reaction of 2-naphthalenethiol or thiophenol derivatives and trichloroacetyl isocyanate in CH2Cl2 at room temperature at high yields. The reaction was a simple and efficient procedure with high yield and available stating materials in a short time for the synthesis of these compounds that no side reactions were observed. The structures of the products were confirmed by IR, 1H NMR, 13C NMR spectroscopy, and elemental analysis. Quantum theoretical calculations for the three structures of compounds (3a, 3b and 3c) were performed using the G3MP2, LC-ωPBE, MP2, and B3LYP methods with the 6-311+G(d,p) basis set. Geometric parameters of optimized the structures were compared with the experimental measurements. The structures of the products were confirmed by IR, 1H NMR, 13C NMR, and elemental analysis. IR spectra data and 1H NMR and 13C NMR chemical shifts computations of the compounds were calculated. Frontier molecular orbitals (FMOs), total density of states (DOS), thermodynamic parameters and molecular electrostatic potentials (MEP) of the title compounds were investigated by theoretical calculations. Molecular properties such as the ionization potential (I), electron affinity (A), chemical hardness (η), electronic chemical potential (μ) and electrophilicity (ω) were investigated for the structures. Consequently, there was an excellent agreement between experimental and theoretical results.
以2-萘乙醇或噻吩衍生物与三氯乙酰异氰酸酯为原料,在室温下以高收率合成了新的s -芳基(三氯乙酰)氨基甲酸酯衍生物。该反应简便、高效,产率高,可在短时间内获得合成这些化合物的原料,且无副反应。产物的结构经IR、1H NMR、13C NMR和元素分析证实。采用G3MP2、LC-ωPBE、MP2和B3LYP方法,以6-311+G(d,p)基集对化合物3a、3b和3c的三种结构进行了量子理论计算。将优化后的结构几何参数与实验测量结果进行了比较。产物的结构经IR、1H NMR、13C NMR和元素分析证实。计算了化合物的红外光谱数据和1H NMR、13C NMR化学位移计算。通过理论计算研究了标题化合物的前沿分子轨道(FMOs)、总态密度(DOS)、热力学参数和分子静电势(MEP)。研究了这些结构的电离势(I)、电子亲和力(A)、化学硬度(η)、电子化学势(μ)和亲电性(ω)等分子性质。因此,实验结果与理论结果非常吻合。
{"title":"Experimental and computational investigations of some new cabamothioate compounds","authors":"N. Shajari, H. Yahyaei, A. Ramazani","doi":"10.22034/CRL.2020.250849.1081","DOIUrl":"https://doi.org/10.22034/CRL.2020.250849.1081","url":null,"abstract":"The new derivatives of S-aryl (trichloroacetyl) carbamothioate were prepared from a two-component reaction of 2-naphthalenethiol or thiophenol derivatives and trichloroacetyl isocyanate in CH2Cl2 at room temperature at high yields. The reaction was a simple and efficient procedure with high yield and available stating materials in a short time for the synthesis of these compounds that no side reactions were observed. The structures of the products were confirmed by IR, 1H NMR, 13C NMR spectroscopy, and elemental analysis. Quantum theoretical calculations for the three structures of compounds (3a, 3b and 3c) were performed using the G3MP2, LC-ωPBE, MP2, and B3LYP methods with the 6-311+G(d,p) basis set. Geometric parameters of optimized the structures were compared with the experimental measurements. The structures of the products were confirmed by IR, 1H NMR, 13C NMR, and elemental analysis. IR spectra data and 1H NMR and 13C NMR chemical shifts computations of the compounds were calculated. Frontier molecular orbitals (FMOs), total density of states (DOS), thermodynamic parameters and molecular electrostatic potentials (MEP) of the title compounds were investigated by theoretical calculations. Molecular properties such as the ionization potential (I), electron affinity (A), chemical hardness (η), electronic chemical potential (μ) and electrophilicity (ω) were investigated for the structures. Consequently, there was an excellent agreement between experimental and theoretical results.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75317983","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 7
Perception of Work-Life Balance among Married Female Librarians in University Libraries in South-East Nigeria 尼日利亚东南部大学图书馆已婚女性图书馆员对工作与生活平衡的看法
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.5860/crl.82.6.831
Ijeoma J. Ibegbulam, A. Ejikeme
This survey study discusses the perception of work-life balance among married female academic librarians in university libraries in South-East Nigeria. Purposive sampling technique was used to select 90 married female academic librarians from a population of 150 female academic librarians working in the university libraries. The study examines the perception of family and organizational factors of work-life balance among the respondents. The results reveal that the married female academic librarians have a positive perception of family and organizational factors of work-life balance; however, perception of the organizational factor has a slightly higher mean score than the family factor. The study highlights strategies that could enhance work-life balance among the respondents and recommends the implementation of practices and policies such as flexible work schedule, cancellation of overtime and shift duties, and better remuneration to improve work-life balance among academic librarians.
本调查研究探讨了尼日利亚东南部大学图书馆已婚女性学术图书馆员对工作与生活平衡的看法。采用目的抽样方法,从150名高校图书馆女馆员中抽取90名已婚女性图书馆员。本研究考察了受访者对工作与生活平衡的家庭和组织因素的看法。结果表明:已婚女性高校图书馆员对工作与生活平衡的家庭和组织因素有积极的认知;然而,组织因素的感知平均得分略高于家庭因素。该研究强调了可以增强受访者工作与生活平衡的策略,并建议实施灵活的工作时间表、取消加班和轮班、提高薪酬等实践和政策,以改善学术图书馆员的工作与生活平衡。
{"title":"Perception of Work-Life Balance among Married Female Librarians in University Libraries in South-East Nigeria","authors":"Ijeoma J. Ibegbulam, A. Ejikeme","doi":"10.5860/crl.82.6.831","DOIUrl":"https://doi.org/10.5860/crl.82.6.831","url":null,"abstract":"This survey study discusses the perception of work-life balance among married female academic librarians in university libraries in South-East Nigeria. Purposive sampling technique was used to select 90 married female academic librarians from a population of 150 female academic librarians working in the university libraries. The study examines the perception of family and organizational factors of work-life balance among the respondents. The results reveal that the married female academic librarians have a positive perception of family and organizational factors of work-life balance; however, perception of the organizational factor has a slightly higher mean score than the family factor. The study highlights strategies that could enhance work-life balance among the respondents and recommends the implementation of practices and policies such as flexible work schedule, cancellation of overtime and shift duties, and better remuneration to improve work-life balance among academic librarians.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86756073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Women Academic Library Leadership in Pakistan: A Qualitative Study on the Journey of Career Progression and Serving the Community 巴基斯坦大学图书馆女性领导力:职业发展与社区服务之旅的定性研究
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.5860/crl.82.6.808
M. Ashiq, S. Réhman, Sadaf Rafiq, M. Tariq
Women library professionals are greatly underrepresented in key leadership positions, especially in the developing countries. This study explored the women academic library leadership in Pakistan and investigated the major challenges faced by women leaders during their ascending to the top, the key indicator of their success, as well as the community services and professional contributions made by them during the course of their careers. Qualitative research design was used and data were collected by conducting in-depth interviews of 16 senior woman library leaders in Pakistan. The findings indicated that organizational challenges, family responsibilities, and gender discrimination were the major barriers that hindered the women leaders during their career progression. The key indicators of their success were effective use of technology, professional commitment, academic contributions, community services, family support, international exposure, and continuous learning. The implications of the study highlight the various areas of improvement for women library leadership.
女性图书馆专业人员在关键领导职位上的代表性大大不足,特别是在发展中国家。本研究探讨了巴基斯坦女性学术图书馆的领导地位,并调查了女性领导在晋升至最高职位时所面临的主要挑战,这是她们成功的关键指标,以及她们在职业生涯中所做的社区服务和专业贡献。采用定性研究设计,并通过对巴基斯坦16名高级女性图书馆领导进行深入访谈来收集数据。研究发现,组织挑战、家庭责任和性别歧视是阻碍女性领导者职业发展的主要障碍。他们成功的关键指标是有效利用技术、专业承诺、学术贡献、社区服务、家庭支持、国际接触和持续学习。这项研究的意义突出了女性图书馆领导在各个领域的改进。
{"title":"Women Academic Library Leadership in Pakistan: A Qualitative Study on the Journey of Career Progression and Serving the Community","authors":"M. Ashiq, S. Réhman, Sadaf Rafiq, M. Tariq","doi":"10.5860/crl.82.6.808","DOIUrl":"https://doi.org/10.5860/crl.82.6.808","url":null,"abstract":"Women library professionals are greatly underrepresented in key leadership positions, especially in the developing countries. This study explored the women academic library leadership in Pakistan and investigated the major challenges faced by women leaders during their ascending to the top, the key indicator of their success, as well as the community services and professional contributions made by them during the course of their careers. Qualitative research design was used and data were collected by conducting in-depth interviews of 16 senior woman library leaders in Pakistan. The findings indicated that organizational challenges, family responsibilities, and gender discrimination were the major barriers that hindered the women leaders during their career progression. The key indicators of their success were effective use of technology, professional commitment, academic contributions, community services, family support, international exposure, and continuous learning. The implications of the study highlight the various areas of improvement for women library leadership.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88134148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Library and Information Science Journal Editors’ Views on Query Letters 图书馆情报学期刊编辑对问询信的看法
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.5860/crl.82.6.899
M. Longmeier, J. Fagan
Query letters may offer an effective way to increase author engagement in the scholarly communication process, yet they are not a common practice in library and information science (LIS). A survey and interviews were conducted with LIS journal editors to explore experiences, attitudes, and opinions concerning query letters. Results indicate query letters can be of great benefit to both authors and editors, if approached properly. Yet editors expressed varying levels of enthusiasm and offered some divergent opinions. Such editorial inconsistencies may contribute to authors’ uncertainty and anxiety. Thus, this article concludes with ideas for empowering authors and improving editor-author communication.
{"title":"Library and Information Science Journal Editors’ Views on Query Letters","authors":"M. Longmeier, J. Fagan","doi":"10.5860/crl.82.6.899","DOIUrl":"https://doi.org/10.5860/crl.82.6.899","url":null,"abstract":"Query letters may offer an effective way to increase author engagement in the scholarly communication process, yet they are not a common practice in library and information science (LIS). A survey and interviews were conducted with LIS journal editors to explore experiences, attitudes, and opinions concerning query letters. Results indicate query letters can be of great benefit to both authors and editors, if approached properly. Yet editors expressed varying levels of enthusiasm and offered some divergent opinions. Such editorial inconsistencies may contribute to authors’ uncertainty and anxiety. Thus, this article concludes with ideas for empowering authors and improving editor-author communication.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90078474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrosion inhibition of mild steel surface by isoxazoles in HCl solution: Electrochemical studies 盐酸溶液中异恶唑对低碳钢表面缓蚀的电化学研究
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.22034/CRL.2020.239368.1071
Roghayeh Sadeghzadeh, L. Ejlali, Moosa Es’haghi, H. Basharnavaz, K. Seyyedi
The corrosion inhibition efficiency of (3-(4-chlorophenyl isoxazole-5-yl) methanol (CPIM) and (3-(2,4 dichlorophenolisoxazole-5-yl) methanol (DCPIM) for mild steel in 1 M HCl has been studied using electrochemical methods at 40 and 50 °C. Polarization studies showed that the inhibitors are efficient mixed-type corrosion inhibitors, and their inhibition performance increased with the rise of inhibitor concentration and decrease of temperature. The result of EIS measurements was analyzed through an appropriate equivalent circuit model to model the corrosion inhibition.
用电化学方法研究了(3-(4-氯苯基异恶唑-5-基)甲醇(CPIM)和(3-(2,4二氯苯基异恶唑-5-基)甲醇(DCPIM)在1 M HCl中对低碳钢的缓蚀效果,温度分别为40℃和50℃。极化研究表明,缓蚀剂为高效混合型缓蚀剂,缓蚀剂的缓蚀性能随缓蚀剂浓度的升高和温度的降低而提高。通过适当的等效电路模型对EIS测量结果进行分析,以模拟腐蚀抑制作用。
{"title":"Corrosion inhibition of mild steel surface by isoxazoles in HCl solution: Electrochemical studies","authors":"Roghayeh Sadeghzadeh, L. Ejlali, Moosa Es’haghi, H. Basharnavaz, K. Seyyedi","doi":"10.22034/CRL.2020.239368.1071","DOIUrl":"https://doi.org/10.22034/CRL.2020.239368.1071","url":null,"abstract":"The corrosion inhibition efficiency of (3-(4-chlorophenyl isoxazole-5-yl) methanol (CPIM) and (3-(2,4 dichlorophenolisoxazole-5-yl) methanol (DCPIM) for mild steel in 1 M HCl has been studied using electrochemical methods at 40 and 50 °C. Polarization studies showed that the inhibitors are efficient mixed-type corrosion inhibitors, and their inhibition performance increased with the rise of inhibitor concentration and decrease of temperature. The result of EIS measurements was analyzed through an appropriate equivalent circuit model to model the corrosion inhibition.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73138021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
A Statistical Analysis of Patrons’ In-Library Information Consumption Behaviors of Print Materials 读者在馆印刷品信息消费行为的统计分析
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.5860/crl.82.6.863
Jiebei Luo
Patrons’ information consumption behaviors of print materials are influenced by their content and tangible characteristics. This quantitative study incorporates several content-based factors widely adopted in collection management practices as well as two physical dimension–related factors, including book size and number of pages, and applies a series of regression analyses to evaluate the relative impact of these factors on patrons’ checkout versus in-library use decisions. The results suggest that shelf time and book size exhibit consistent and significant impact on patrons’ use of print materials. These findings can shed further light on collection management practices and policies in academic libraries striving to provide patrons more user-centered collections and space.
读者对印刷品的信息消费行为受印刷品内容和有形特征的影响。本定量研究结合了藏书管理实践中广泛采用的几个基于内容的因素,以及两个与物理维度相关的因素,包括书的大小和页数,并应用一系列回归分析来评估这些因素对读者结帐和在图书馆使用决策的相对影响。结果表明,书架时间和书本尺寸对读者使用印刷材料的影响一致且显著。这些发现可以进一步阐明学术图书馆的馆藏管理实践和政策,努力为用户提供更多以用户为中心的馆藏和空间。
{"title":"A Statistical Analysis of Patrons’ In-Library Information Consumption Behaviors of Print Materials","authors":"Jiebei Luo","doi":"10.5860/crl.82.6.863","DOIUrl":"https://doi.org/10.5860/crl.82.6.863","url":null,"abstract":"Patrons’ information consumption behaviors of print materials are influenced by their content and tangible characteristics. This quantitative study incorporates several content-based factors widely adopted in collection management practices as well as two physical dimension–related factors, including book size and number of pages, and applies a series of regression analyses to evaluate the relative impact of these factors on patrons’ checkout versus in-library use decisions. The results suggest that shelf time and book size exhibit consistent and significant impact on patrons’ use of print materials. These findings can shed further light on collection management practices and policies in academic libraries striving to provide patrons more user-centered collections and space.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82734198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Heavy Metals Accumulation in Different Cultivated Fish Tissues through Commercial Fish Feeds and Health Risk Estimation in Consumers in Bangladesh 通过商业鱼类饲料在孟加拉国不同养殖鱼类组织中的重金属积累和消费者健康风险评估
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.22034/CRL.2021.119379
Biraj Saha, M. Mottalib, A. Razee
Cultivated fishes are major protein and microelement sources for all sorts of people in Bangladesh due to its availability and affordability. Since heavy metals are persistent in the aquatic environment, these metals can accumulate in the food chain. Cultivated fishes containing heavy metals can cause a carcinogenic and non-carcinogenic risk to human as it biologically accumulates heavy metals from commercial feeds. This study was designed to access the content of heavy metals in the flesh of some cultivated fish species through consuming commercial fish feeds available in Bangladesh and potential health risk calculation for consumers due to intake daily. The concentration (mg/kg, dry weight) range of heavy metals like; Pb (4.56- 7.08), Cd (0.23- 1.28), Cr (4.00-7.08), Cu (11.23- 20.62), As (0.08- 0.34), Hg (0.05- 0.34) in selected commercial fish feeds and Pb (4.35-8.03), Cd (0.87- 1.35), Cr (4.71-8.98), Cu (14.00- 31.80), As (0.17- 0.28), Hg (0.08- 0.41) in fishes were accessed by inductive coupled plasma optical emission spectroscopy (ICP-OES). The recorded concentration value for selected metals in fish tissues and feeds were also compared with the safe limit proposed by World health organization (WHO, 1995), Food and Agricultural Organization (FAO, 1983), European Union (EU, 2001). This study also estimated the carcinogenic and non- carcinogenic risk due to daily consumption of these cultivated fishes for a certain age.
由于养殖鱼类的可获得性和可负担性,它是孟加拉国各种人群的主要蛋白质和微量元素来源。由于重金属在水生环境中持续存在,这些金属可以在食物链中积累。含有重金属的养殖鱼类会对人类造成致癌和非致癌风险,因为它会从商业饲料中生物积累重金属。本研究旨在通过食用孟加拉国可获得的商业鱼类饲料来获取某些养殖鱼类肉中的重金属含量,并计算消费者每天摄入的潜在健康风险。重金属浓度(mg/kg,干重)范围如;采用电感耦合等离子体发射光谱(ICP-OES)测定了鱼饲料中的Pb(4.56 ~ 7.08)、Cd(0.23 ~ 1.28)、Cr(4.00 ~ 7.08)、Cu(11.23 ~ 20.62)、As(0.08 ~ 0.34)、Hg(0.05 ~ 0.34)和鱼饲料中的Pb(4.35 ~ 8.03)、Cd(0.87 ~ 1.35)、Cr(4.71 ~ 8.98)、Cu(14.00 ~ 31.80)、As(0.17 ~ 0.28)、Hg(0.08 ~ 0.41)。还将鱼组织和饲料中某些金属的记录浓度值与世界卫生组织(卫生组织,1995年)、粮食及农业组织(粮农组织,1983年)、欧洲联盟(欧盟,2001年)提出的安全限度进行了比较。这项研究还估计了在一定年龄每天食用这些养殖鱼类的致癌和非致癌风险。
{"title":"Heavy Metals Accumulation in Different Cultivated Fish Tissues through Commercial Fish Feeds and Health Risk Estimation in Consumers in Bangladesh","authors":"Biraj Saha, M. Mottalib, A. Razee","doi":"10.22034/CRL.2021.119379","DOIUrl":"https://doi.org/10.22034/CRL.2021.119379","url":null,"abstract":"Cultivated fishes are major protein and microelement sources for all sorts of people in Bangladesh due to its availability and affordability. Since heavy metals are persistent in the aquatic environment, these metals can accumulate in the food chain. Cultivated fishes containing heavy metals can cause a carcinogenic and non-carcinogenic risk to human as it biologically accumulates heavy metals from commercial feeds. This study was designed to access the content of heavy metals in the flesh of some cultivated fish species through consuming commercial fish feeds available in Bangladesh and potential health risk calculation for consumers due to intake daily. The concentration (mg/kg, dry weight) range of heavy metals like; Pb (4.56- 7.08), Cd (0.23- 1.28), Cr (4.00-7.08), Cu (11.23- 20.62), As (0.08- 0.34), Hg (0.05- 0.34) in selected commercial fish feeds and Pb (4.35-8.03), Cd (0.87- 1.35), Cr (4.71-8.98), Cu (14.00- 31.80), As (0.17- 0.28), Hg (0.08- 0.41) in fishes were accessed by inductive coupled plasma optical emission spectroscopy (ICP-OES). The recorded concentration value for selected metals in fish tissues and feeds were also compared with the safe limit proposed by World health organization (WHO, 1995), Food and Agricultural Organization (FAO, 1983), European Union (EU, 2001). This study also estimated the carcinogenic and non- carcinogenic risk due to daily consumption of these cultivated fishes for a certain age.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90172769","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 12
Thermodynamic and reactivity descriptors Studies on the interaction of Flutamide anticancer drug with nucleobases: A computational view 氟他胺抗癌药物与核碱基相互作用的计算研究
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.22034/CRL.2020.259697.1093
Maedeh Kamel, Kamal Mohammadifard
In this work, the interaction between Flutamide (FLU) anticancer drug with nucleobases such as cytosine, thymine, uracil, and adenine was studied by density functional theory (DFT) methods from a thermodynamic point of view. The Gibbs free energy (ΔG) and enthalpy (ΔH) of C-FLU, T-FLU, U-FLU and A-FLU complexes were computed and demonstrate that the stronger interaction between cytosine and FLU and the adsorption of the drug on the bases proceeds spontaneously. The negative value of ΔH indicates that the adsorption of FLU drug on the cytosine, thymine and uracil bases are exothermic, these results confirmed ΔE results. During the interaction of Flutamide drug with nucleobases, the energy levels of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) were significantly changed. The values of the energy gap (Eg) reduced during the adsorption of the FLU drug onto bases which confirmed that the reactivity of the resulted complex increase upon adsorption. On the other hand, as a result of theoretical calculations, the values of the Eg for the Base-FLU structures in water solution are decreased in comparison to the corresponding values in the gas phase, indicating more the reactivity of the studied complexes in the aqueous medium.
本文利用密度泛函理论(DFT)从热力学角度研究了氟他胺(FLU)抗癌药物与胞嘧啶、胸腺嘧啶、尿嘧啶和腺嘌呤等核碱基的相互作用。计算了C-FLU、T-FLU、U-FLU和A-FLU复合物的吉布斯自由能(ΔG)和焓(ΔH),结果表明胞嘧啶和流感之间的相互作用更强,药物在碱基上的吸附是自发进行的。ΔH的负值表明流感药物对胞嘧啶、胸腺嘧啶和尿嘧啶碱基的吸附是放热的,这些结果证实了ΔE的结果。氟他胺类药物与核碱基相互作用过程中,最高占据分子轨道(HOMO)和最低未占据分子轨道(LUMO)的能级发生了显著变化。在流感药物吸附到碱基上的过程中,能隙(Eg)的值减小,这证实了所得到的配合物的反应性在吸附后增加。另一方面,根据理论计算,与气相的相应值相比,Base-FLU结构在水溶液中的Eg值降低了,这更表明所研究的配合物在水介质中的反应性。
{"title":"Thermodynamic and reactivity descriptors Studies on the interaction of Flutamide anticancer drug with nucleobases: A computational view","authors":"Maedeh Kamel, Kamal Mohammadifard","doi":"10.22034/CRL.2020.259697.1093","DOIUrl":"https://doi.org/10.22034/CRL.2020.259697.1093","url":null,"abstract":"In this work, the interaction between Flutamide (FLU) anticancer drug with nucleobases such as cytosine, thymine, uracil, and adenine was studied by density functional theory (DFT) methods from a thermodynamic point of view. The Gibbs free energy (ΔG) and enthalpy (ΔH) of C-FLU, T-FLU, U-FLU and A-FLU complexes were computed and demonstrate that the stronger interaction between cytosine and FLU and the adsorption of the drug on the bases proceeds spontaneously. The negative value of ΔH indicates that the adsorption of FLU drug on the cytosine, thymine and uracil bases are exothermic, these results confirmed ΔE results. During the interaction of Flutamide drug with nucleobases, the energy levels of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) were significantly changed. The values of the energy gap (Eg) reduced during the adsorption of the FLU drug onto bases which confirmed that the reactivity of the resulted complex increase upon adsorption. On the other hand, as a result of theoretical calculations, the values of the Eg for the Base-FLU structures in water solution are decreased in comparison to the corresponding values in the gas phase, indicating more the reactivity of the studied complexes in the aqueous medium.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87129765","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 15
1, 4-Diazabicyclo[2.2.2]octanium diacetate: An effective, mild and reusable catalyst for the synthesis of 2,4,5–trisubstituted imidazoles 1,4 -重氮杂环[2.2.2]辛二乙酸酯:一种合成2,4,5 -三取代咪唑的有效、温和且可重复使用的催化剂
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.22034/CRL.2020.252558.1084
L. Fekri, Maryam Nateghi
1, 4-Diazabicyclo[2.2.2]octanium diacetate supplies an environmentally friendly procedure for the synthesis of 2,4,5-trisubstituted imidazoles through one-pot multicomponent condensation of benzyl or benzoin and ammonium acetate with various aldehydes. These compounds were obtained in high yields and short reaction times. The catalyst could be easily recovered and reused for five cycles with almost consistent activity. All of synthesized compounds were characterized by their physical constant, comparison with authentic samples, IR, 1H NMR, 13C NMR spectroscopy and elemental analysis.
1,4 -二氮杂环[2.2.2]双乙酸辛烷提供了一种环境友好的方法,通过一锅多组分缩合合成2,4,5-三取代咪唑的苯或苯甲酸酯和乙酸铵与各种醛。这些化合物产率高,反应时间短。该催化剂易于回收,可重复使用5次,且活性基本一致。所有合成的化合物都通过物理常数、与真实样品的比较、IR、1H NMR、13C NMR谱和元素分析进行了表征。
{"title":"1, 4-Diazabicyclo[2.2.2]octanium diacetate: An effective, mild and reusable catalyst for the synthesis of 2,4,5–trisubstituted imidazoles","authors":"L. Fekri, Maryam Nateghi","doi":"10.22034/CRL.2020.252558.1084","DOIUrl":"https://doi.org/10.22034/CRL.2020.252558.1084","url":null,"abstract":"1, 4-Diazabicyclo[2.2.2]octanium diacetate supplies an environmentally friendly procedure for the synthesis of 2,4,5-trisubstituted imidazoles through one-pot multicomponent condensation of benzyl or benzoin and ammonium acetate with various aldehydes. These compounds were obtained in high yields and short reaction times. The catalyst could be easily recovered and reused for five cycles with almost consistent activity. All of synthesized compounds were characterized by their physical constant, comparison with authentic samples, IR, 1H NMR, 13C NMR spectroscopy and elemental analysis.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91310144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Anions Bioremediation Potential of Immobilized Bacteria in Tannery Industrial Effluents from Kano State, Nigeria 尼日利亚卡诺州制革工业废水中固定化细菌的阴离子生物修复潜力
IF 1.8 3区 管理学 Q1 Social Sciences Pub Date : 2021-01-01 DOI: 10.22034/CRL.2020.244405.1078
A. Baba, S. Garba, H. Abdullahi, D. Baba
The present study aims to assess the potentials of immobilized bacteria in the remediation of anions within the effluents by determining the levels of the anions before and after the remediation. Industrial Effluents Samples from Gashash Tanneries (TAN1), Larabee Tannery Industry (TAN2) and Z Tannery Industries (TAN3) in Kano State, Nigeria were collected monthly for six months (August 2017 to January 2018). Bacteria were isolated from the effluents and immobilized on agar-agar. The effluent samples were analyzed for the anions before and after the treatment using DR/2010 HACH portable data logging spectrophotometer. Different masses (5 g, 10 g, 15 g, 20 g, and 25 g) of the bacteria were used in the treatment of 250 ml of the effluents for ten days in a shaker incubator (Gallenkamp-OC-4364-L) at the temperature 30 °C and speed of 60 rpm. Pre-treatment analysis of the effluents for nitrate (NO-3), Sulphate (SO2-4), Phosphate (PO3-4) and Chloride (Cl-) give the following results; NO-3 ranged (25.35±17.16-28.12±10.72 mg/l); SO2-4 (67.00±5.93-114.83±53.20 mg/l); PO3-4 (26.16±22.93-34.17±16.73 mg/l) and Cl- (22.57±9.64-26.00a±4.86 mg/l). No statistical difference (p ≤ 0.05) was observed for all the anions among the different industries. The bacterial isolates were identified as Neisseria spp, Bacillus cereus, and Staphylococcus aureus, in TAN1, TAN2, and TAN3, respectively. After treatment of the effluents with the different masses of the isolated bacteria, the mean level of NO-3 were found to range as (6.17±6.67-20.78±7.76); SO2-4 (25.73±17.84-46.00±46.81); PO3-4 (11.45±12.02-28.19±9.09) and Cl-(0.38±1.83-15.36±13.58). The results of Post-treatment analysis showed that there is an overall decrease in the levels of the anions determined when compared with that of the pre-treatment. The overall percentage reduction of the immobilized bacteria in the treatment of the respective effluents was in the order TAN3 (57%)>TAN1 (49%)>TAN2 (47%). Therefore, the immobilized bacteria are having higher potentials for the treatment of the anions in the effluents.
本研究旨在通过测定污水中阴离子修复前后的水平,评估固定化细菌在污水中阴离子修复中的潜力。每月收集尼日利亚卡诺州Gashash制革厂(TAN1)、Larabee制革厂(TAN2)和Z制革厂(TAN3)的工业废水样本,为期六个月(2017年8月至2018年1月)。从废水中分离出细菌并将其固定在琼脂上。采用DR/2010 HACH便携式数据记录仪对处理前后的出水样品进行阴离子分析。取不同质量(5 g、10 g、15 g、20 g、25 g)的细菌,在摇床培养箱(Gallenkamp-OC-4364-L)中,温度30℃,转速60 rpm,处理250 ml废水10天。对废水中硝酸盐(NO-3)、硫酸盐(SO2-4)、磷酸盐(PO3-4)和氯化物(Cl-)的预处理分析结果如下:NO-3为25.35±17.16-28.12±10.72 mg/l;硫酸(67.00±5.93 ~ 114.83±53.20 mg/l);PO3-4(26.16±22.93 -34.17±16.73 mg / l)和Cl - -26.00(22.57±9.64±4.86 mg / l)。不同行业间阴离子含量差异无统计学意义(p≤0.05)。在TAN1、TAN2和TAN3中分别分离出奈瑟氏菌、蜡样芽孢杆菌和金黄色葡萄球菌。用不同质量的分离菌处理出水后,NO-3的平均水平为(6.17±6.67 ~ 20.78±7.76);共同作用(25.73±17.84 -46.00±46.81);PO3-4(11.45±12.02 -28.19±9.09)和Cl -(0.38±1.83 - -15.36±13.58)。处理后的分析结果表明,与预处理相比,阴离子的测定水平总体上有所下降。固定化菌在各废水处理中的总体降幅为:TAN3 (57%)>TAN1 (49%)>TAN2(47%)。因此,固定化细菌对废水中的阴离子具有较高的处理潜力。
{"title":"Anions Bioremediation Potential of Immobilized Bacteria in Tannery Industrial Effluents from Kano State, Nigeria","authors":"A. Baba, S. Garba, H. Abdullahi, D. Baba","doi":"10.22034/CRL.2020.244405.1078","DOIUrl":"https://doi.org/10.22034/CRL.2020.244405.1078","url":null,"abstract":"The present study aims to assess the potentials of immobilized bacteria in the remediation of anions within the effluents by determining the levels of the anions before and after the remediation. Industrial Effluents Samples from Gashash Tanneries (TAN1), Larabee Tannery Industry (TAN2) and Z Tannery Industries (TAN3) in Kano State, Nigeria were collected monthly for six months (August 2017 to January 2018). Bacteria were isolated from the effluents and immobilized on agar-agar. The effluent samples were analyzed for the anions before and after the treatment using DR/2010 HACH portable data logging spectrophotometer. Different masses (5 g, 10 g, 15 g, 20 g, and 25 g) of the bacteria were used in the treatment of 250 ml of the effluents for ten days in a shaker incubator (Gallenkamp-OC-4364-L) at the temperature 30 °C and speed of 60 rpm. Pre-treatment analysis of the effluents for nitrate (NO-3), Sulphate (SO2-4), Phosphate (PO3-4) and Chloride (Cl-) give the following results; NO-3 ranged (25.35±17.16-28.12±10.72 mg/l); SO2-4 (67.00±5.93-114.83±53.20 mg/l); PO3-4 (26.16±22.93-34.17±16.73 mg/l) and Cl- (22.57±9.64-26.00a±4.86 mg/l). No statistical difference (p ≤ 0.05) was observed for all the anions among the different industries. The bacterial isolates were identified as Neisseria spp, Bacillus cereus, and Staphylococcus aureus, in TAN1, TAN2, and TAN3, respectively. After treatment of the effluents with the different masses of the isolated bacteria, the mean level of NO-3 were found to range as (6.17±6.67-20.78±7.76); SO2-4 (25.73±17.84-46.00±46.81); PO3-4 (11.45±12.02-28.19±9.09) and Cl-(0.38±1.83-15.36±13.58). The results of Post-treatment analysis showed that there is an overall decrease in the levels of the anions determined when compared with that of the pre-treatment. The overall percentage reduction of the immobilized bacteria in the treatment of the respective effluents was in the order TAN3 (57%)>TAN1 (49%)>TAN2 (47%). Therefore, the immobilized bacteria are having higher potentials for the treatment of the anions in the effluents.","PeriodicalId":10686,"journal":{"name":"College & Research Libraries","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76641351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"管理学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
期刊
College & Research Libraries
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1