大学有机化学教学中类比思维的培养与实践

大学有机化学课程是培养类比思维的重要阵地之一。基于类比思维的内涵以及在有机化学学习中的重要作用，探讨了大学有机化学教学中对学生类比思维的培养和实践体会，希望提高学生有机化学学习效率，以及培养大学生解决新问题的创新思维能力。     

高分子材料专业有机化学课程思政建设*

深入贯彻落实习近平总书记在全国高校思想政治工作会议上的重要精神,在分析学校大环境的特殊性及学生自身特点的基础上,结合有机化学课程的特点,挖掘课程教学中的思政元素,对该课程中的思政元素进行系统梳理,开展有机化学课程思政建设。融入思政元素的教学设计,既丰富了有机化学课堂内容,也有助于解答学生的思想困惑,发挥课堂教书育人功能,使学生在接受有机化学知识的同时接受思政教育,提升学生思想道德与专业素养,培养学生的辩证思维、爱国情操、文化自信和社会责任感,以达到教书育人的目的,培养有道德有思想的新时代创新人才。     

非化学专业有机化学实验教学中对学生科研思维的培养

研究型大学对学生科研思维的培养至关重要,有机化学实验作为近化学专业类学生重要的基础实验课程,对学生操作技能、创新能力和科研思维培养有重要作用。本文以非化学专业本科生有机化学实验"大学化学实验(O)"的教学实践为例,从学生学习方式、教师教学方法、实验教学内容设置等方面阐述如何在教学过程中完成对学生科研思维的培养。     

高中化学教科书中类比特征的分析及编写建议

高中化学教科书中类比的分析表明：（1）类比数目较少;（2）目标物以微观结构和抽象概念为主,类比物主要是学生熟悉的社会生活经验,学科知识较少;（3）类比呈现方式以文字描述为主,少数辅助于图像类比;（4）类比物与目标物之间的相似属性以结构关系为主,兼具结构与功能关系的类比不足;（5）类比相似属性的映射程度较高,但类比的局限性被忽略。建议教科书中类比的编写：适当增加类比的数目;扩展类比物的范围;重视宏观、微观和符号三重表征的类比设计;适时增编类比方法的指导。     

基于思维导图的先行组织者支架在化学教学中的应用

教学中教师为了完成教学任务会忽视学生的高阶思维发展的培养,这样做虽然教学目标可以及时完成,但是教学效果会大打折扣,更重要的是直接阻碍了创新及批判性思维、获得隐性知识、自我管理等高阶能力的发展。高阶思维需要高阶学习支架支持,以“基于思维导图的先行组织者支架”在不同课型中的运用,帮助学生参与复杂的认知活动,进而建立高阶思维模型和提升元认知水平。     

在真实情境中发展核心素养的高三有机化学复习教学案例——以“香豆素3羧酸乙酯的合成”为例

基于高三有机化学复习特点,以真实情境为载体,设置综合复杂程度不同的问题,引导学生从有机化合物官能团转化的角度预测物质结构、设计转化路线;从碳骨架和化学键变化的角度理解反应过程,理解共价键的类型、极性与有机反应的关系;利用物理性质设计分离提纯方案,体现出学科内的融合。使学生真正建立“组成、结构决定性质”的基本观念,凸显对比分析、逆合成分析等有机推断问题解题思路,发展高阶思维,促进学生关键能力的提升,促进化学学科核心素养的发展。     

在有机化学及实验教学中培养学生的科研能力

在有机化学理论课教学中融入对学科前沿、科研动态的介绍,在对知识的解析过程中注重培养学生的科研思路,在有机化学实验课教学中采用设计性实验,结合学术报告、学生科研立项、开放性实验室或课题等第二课堂,积极营造科研氛围,培养学生的科研能力。     

类比思维的合理性原则及其教学应用

由于在运用类比思维方法解决问题时忽略合理性原则，高考考生和高二学生在书写联氨的酸式硫酸盐时同时出现普遍性错误。进一步探析类比思维的合理性原则，讨论运用类比思维解决问题的正确模式，并由此反思在教学中注重思维能力培养的重要性。     

突破学生学习有机化学思维障碍的教学实践研究

通过对目前在校的高三学生进行前期调查找到学生学习有机化学的思维障碍,针对学生的思维障碍进行了高二有机化学模块整体教学设计,并进行了具体的课堂实施。以2节针对不同层次学生的区级公开课“醛”为例,研究教师的教学行为和学生表现之间的相关性,通过前测和后测的对比证实有针对性的教学设计及实施能突破学生的思维障碍,为进一步研究有机化学教学的有效性提供参考。     

将生物信息学与有机化学结合初探酶促反应原理与实践——介绍一个国外本科生实验并讨论其相关问题

21世纪是生命科学与信息科学高速发展的时代,化学作为理科的中心学科与此二者均有紧密的联系。伴随着各种交叉学科的诞生与发展,将信息科学技术整合有机化学方法并用于认知生物大分子进而解决生命科学问题也是大势所趋,而在生物化学与化学生物学基础教学中引入相关内容也具有前瞻性与必要性。国外化学本科的基础教育也切合时宜地以一个生物信息学的最常用软件PyMOL为例设计相关实验,让学生在了解反应中的有机化学机理的基础上,学习酶的三维结构,并探究酶催化该反应的原因。此设计结合了有机化学、生物化学、生物信息学、蛋白质结构生物学等多学科,可以加深学生对多肽与蛋白质的高级结构的认识,并为今后的生物化学学习与研究打下基础,同时有利于培养学生对于化学的兴趣,可谓一举多得。这对于培养交叉学科人才,做出开创性研究极为重要。对国内生物有机化学实验的设计有借鉴作用。     

Domains in bovine seminal ribonuclease

Bovine seminal ribonuclease is the only pancreatic-type ribonuclease to possess a dimeric structure: the two identical subunits are covalently linked by two disulfide bridges. Actually, the protein exists in two different dimeric structures owing to the possibility of swapping the N-terminal α-helical segments: the swapped MxM dimer, and the non-swapped M=M dimer. The thermal denaturation of the two separated forms is investigated by differential scanning calorimetry. The process is reversible and can be represented by two sequential two-state transitions, indicating the presence of two domains in BS-RNase, regardless of the swapping phenomenon. Inspection of the structural models leads to the tentative identification of an external domain and a core domain, the latter more stable.     

New Promise and Opportunities for Allosteric Kinase Inhibitors

Drugs that function through allosteric inhibition of kinase signaling represent a promising approach for the targeted discovery of therapeutics. The majority of developed allosteric kinase inhibitors are characterized as type III and IV inhibitors that show good kinome selectivity but generally lack the subtype selectivity of same kinase family. Recently allosteric inhibitors have been developed that bind outside the catalytic kinase domain with high selectivity for specific kinase subtypes. Allosteric inhibitors that bind to the pseudokinase domain of pseudokinase or the extracellular domain of receptor tyrosine kinases are reviewed. We also review recent developments in the field of allosteric kinase inhibitors including examples of proteolysis targeting chimeras, and highlight the unique binding modes for each type of inhibitors and address future opportunities in this area.     

Application of chemical reaction mechanistic domains to an ecotoxicity QSAR model,the KAshinhou Tool for Ecotoxicity (KATE)

The validity of chemical reaction mechanistic domains defined by skin sensitisation in the Quantitative Structure–Activity Relationship (QSAR) ecotoxicity system, KAshinhou Tools for Ecotoxicity (KATE), March 2009 version, has been assessed and an external validation of the current KATE system carried out. In the case of the fish end-point, the group of chemicals with substructures reactive to skin sensitisation always exhibited higher root mean square errors (RMSEs) than chemicals without reactive substructures under identical C- or log?P-judgements in KATE. However, in the case of the Daphnia end-point this was not so, and the group of chemicals with reactive substructures did not always have higher RMSEs: the Schiff base mechanism did not function as a high error detector. In addition to the RMSE findings, the presence of outliers suggested that the KATE classification rules needs to be reconsidered, particularly for the amine group. Examination of the dependency of the organism on the toxic action of chemicals in fish and Daphnia revealed that some of the reactive substructures could be applied to the improvement of the KATE system. It was concluded that the reaction mechanistic domains of toxic action for skin sensitisation could provide useful complementary information in predicting acute aquatic ecotoxicity, especially at the fish end-point.     

Determination of the width of the domain boundaries in polymer two-phase systems by X-ray small-angle scattering

An accurate determination of the width of domain boundaries presupposes an unambigous elimination of the intensity component due to density fluctuations within the domains. The theoretical aspects of this problem are discussed and an application is demonstrated in an SAXS study of a styrene-isoprene-styrene blockcopolymer. The widths of the domain boundaries depend on the history of the sample, its values are, in general, smaller than theoretically predicted. The domain sizes correspond to the theoretical values, its variance is of the same order as the variance of the molecular weight of the domain-building blocks.Dedicated to Prof. Dr. Dr. h. c. O. Kratky on the occasion of his 80th birthday.     

Cross-Module Enoylreduction in the Azalomycin F Polyketide Synthase

The colinearity of canonical modular polyketide synthases, which creates a direct link between multienzyme structure and the chemical structure of the biosynthetic end-product, has become a cornerstone of knowledge-based genome mining. Herein, we report genetic and enzymatic evidence for the remarkable role of an enoylreductase in the polyketide synthase for azalomycin F biosynthesis. This internal enoylreductase domain, previously identified as acting only in the second of two chain extension cycles on an initial iterative module, is shown to also catalyze enoylreduction in trans within the next module. The mechanism for this rare deviation from colinearity appears to involve direct cross-modular interaction of the reductase with the longer acyl chain, rather than back transfer of the substrate into the iterative module, suggesting an additional and surprising plasticity in natural PKS assembly-line catalysis.     

Protein-protein Interaction Between Domains of PDZ and BAR from PICK1

IntroductionProtein kinase Cα(PKCα) widely existed in thecells of human being and animals is one kind of serine/threonine kinase that can be rapidly activated by a vari-ety of factors such as Ca2 , cAMP and hormone, re-sulting in the signal transmissio…     

On the reactivity of ascomycin at the binding domain. Part 1: Liberation of the tricarbonyl portion of ascomycin

Within the binding domain, ascomycin features the unusual pattern of a masked tricarbonyl moiety, which potentially allows for high structural diversity via simple isomerisation events. Herein, methodologies, allowing the liberation of the tricarbonyl unit by blocking the 14-hydroxy group are reported.     

Molecular cloning and biochemical characterization of a family-9 endoglucanase with an unusual structure from the gliding bacteria <Emphasis Type="Italic">Cytophaga hut chinsonii</Emphasis>

Cytophaga hutchinsonii was originally isolated from sugarcane piles. This microorganism therefore probably produces an array of enzymes allowing it to digest cellulosic substrates. C. hutchinsonii thus represents a rich source of potentially effective cellulase enzymes that can be harnessed for conversion of biomass to simple sugars. These sugars can then be used as feedstock for ethanol production or other chemical syntheses. In this study, we report the PCR cloning of an endoglucanase gene (Cel9A) from C. hutchinsonii using degenerated primers directed at the catalytic domain. Alignment of the amino acids sequence revealed that Cel9A has a gene structure totally different from the other known cellulose degraders. The most striking feature of this cloned protein is the absence of a cellulose-binding domain (CBD), which to date was believed to be imperative in cellulose hydrolysis. Consequently, the Cel9A gene, encoding β-1,4 endoglucanase from C. hutchinsonii was over-expressed in Escherichia coli with a His-Tag based expression vector. The resulting polypeptide, with a molecular mass of 105 KDa, was purified from cell extracts by affinity chromatography on cellulose. Mature Cel9A was optimally active at pH 5.0 and 45°C. The enzyme efficiently hydrolyzes carboxymethyl-cellulose (CMC). Analysis of CMC and filter paper hydrolysis suggests that Cel9A is a nonprocessive enzyme with endo-cellulase activities.     

弛豫铁电体结构起伏与弛豫性研究

制备了铅基弛豫铁电体0.9Pb(Mg_1/3Nb_2/3)O₃-0.1PbTiO₃和Pb(Zn_1/3Nb_2/3)O₃基陶瓷. 铅基弛豫铁电体PMNT, PZN基陶瓷弛豫过程可用局域冻结模型描述. 在微畴-宏畴转变过程中, 弛豫铁电体产生结构起伏; 在相同的频率条件下, 弛豫铁电体的结构起伏程度越大, 弛豫程度越低. 在微畴-宏畴转变过程中, 随微畴的增大, 弛豫铁电体的弛豫特性减弱或消失.     

Applicability domain: towards a more formal definition$

Abstract

In recent years the applicability domain (AD) of a prediction system has become an important concern in (Q)SAR modelling, especially in the context of human safety assessment. Today AD is an active research topic, and many methods have been designed to estimate the adequacy of a model and the confidence in its outcome for a given prediction task. Unfortunately, the wide spectrum of techniques developed for this purpose is based on various definitions of the concept of AD, often taking into account different types of information. This variety of methodologies confuses the end users and makes the comparison of the AD for different models almost impossible. In this article, we demonstrate that AD is not a monolithic concept and can be broken down into three well-defined sub-domains assessing confidence at the model, prediction and decision levels, respectively. By leveraging this separation of concerns we have an opportunity to clarify, formalize and extend the definition of AD. We propose a framework that captures this new vision with the aim to initiate a global effort to converge towards a common AD definition within the (Q)SAR community.