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Structural biology in drug discovery: methods, techniques, and practices 药物发现中的结构生物学:方法、技术和实践
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2022-01-02 DOI: 10.1080/0889311x.2022.2050715
D. Matulis
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引用次数: 5
How should we teach crystallography? A review of teaching books’ contents pages 我们应该如何教授晶体学?教学书籍内容页综述
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-10-02 DOI: 10.1080/0889311X.2021.1978080
J. Helliwell
This short article reflects on how we teach a crystallography course and which is specifically linked to what is called the course book. An audience of undergraduates in practice presents different challenges to the teacher depending on whether they are physicists, chemists or biologists; these being the specific courses I have taught in the last 40 years or so and for which I, therefore, have extensive experience. Graduate courses are organized by our crystallographic societies and associations. Such courses might be tailored to a given subject, as with undergraduates, or more likely might be for a broad, across the subjects, set of students. I have also taught on and/or organized these. In a third category, as researchers, we are increasingly called upon to explain our research to broad audiences such as of the public, and/or of school children, and these cross sections of society do not necessarily have much science training, or if they have it is long forgotten. As educators, I am sure all of us wrestle with choosing the sequence that we teach our crystallography concepts in our courses. This all connects directly to how we as a community formally define ‘a crystal’.
这篇短文反思了我们如何教授晶体学课程,以及它与所谓的课程书的具体联系。实习中的本科生对老师提出了不同的挑战,这取决于他们是物理学家、化学家还是生物学家;这些是我在过去40年左右教过的特定课程,因此我有丰富的经验。研究生课程由我们的晶体学学会和协会组织。这类课程可能是针对特定学科量身定制的,就像本科生一样,或者更有可能是针对广泛的跨学科学生。我也教过和/或组织过这些。在第三类中,作为研究人员,我们越来越多地被要求向公众和/或在校儿童等广泛受众解释我们的研究,而这些社会阶层不一定受过多少科学训练,或者如果他们受过科学训练,就会被遗忘很久。作为教育工作者,我相信我们所有人都在努力选择在课程中教授晶体学概念的顺序。这一切都与我们作为一个社区如何正式定义“水晶”直接相关。
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引用次数: 0
Carbonic anhydrase as drug target – thermodynamics and structure of inhibitor binding 碳酸酐酶作为药物靶标——抑制剂结合的热力学和结构
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-10-02 DOI: 10.1080/0889311X.2021.2008379
F. Meyer‐Almes
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引用次数: 6
A review on the structural and magnetic properties of differently doped bismuth-ferrite multiferroics 不同掺杂铋铁氧体多铁材料的结构和磁性研究进展
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-10-02 DOI: 10.1080/0889311X.2021.2020262
S. Dhanya, J. Satapathy, Pavan Kumar
Bismuth Ferrites (BFO), a multiferroic nanomaterial that possesses antiferromagnetic ordering above room temperature, has been the focus of material researchers for quite some time. Because the scope of its practical uses are caught up by its low magnetization due to its G-type antiferromagnetic nature below Neel temperature. Such coexistence of magnetic behaviour along with its ferroelectric property, has drawn deeper interest into its structure. It has been observed that doping with different elements and at different sites or co-doping has a significant influence on structural modification. These structural changes give different magnetic properties enabling BFOs for suitable applications. Furthermore, the synthesis process and other intrinsic characteristics also have an influence on modifications observed in magnetic behaviour, as seen for various reported results. Therefore, a consolidation of some of the remarkable changes in magnetic properties resulting from the structural changes using dopants, doping types and synthesis methods BFOs so far is reviewed here and presented in brief.
铋铁氧体(BFO)是一种在室温以上具有反铁磁有序性的多铁性纳米材料,长期以来一直是材料研究者关注的焦点。由于其在尼尔温度以下的G型反铁磁性质,其实际应用范围被其低磁化强度所覆盖。这种磁性行为与其铁电性质的共存,引起了人们对其结构的更深兴趣。已经观察到,用不同元素和在不同位置掺杂或共掺杂对结构改性具有显著影响。这些结构变化赋予了不同的磁性,使BFO能够用于合适的应用。此外,合成过程和其他固有特性也对磁性行为中观察到的修饰有影响,如各种报道的结果所示。因此,本文对迄今为止使用掺杂剂、掺杂类型和合成方法的BFO的结构变化所导致的磁性能的一些显著变化进行了综述并简要介绍。
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引用次数: 3
Handbook of food enzymology, 1st edition 食品酶学手册,第1版
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-10-02 DOI: 10.1080/0889311X.2022.2030731
M. Cianci
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引用次数: 1
An elementary treatment on the diffraction of crystalline structures 晶体结构衍射的基本处理
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-10-02 DOI: 10.1080/0889311X.2022.2030320
G. Chapuis
Although W. L. Bragg's law can be easily derived for beginners in the field of crystallography, its interpretation however seems to cause some difficulties which lies essentially in the relation between the concept of lattice planes and the unit cell constants characterizing the lattice periodicity of the crystal structure. Our approach is certainly not new and is based on a more physical approach where every single point in the crystal participates in the diffraction process. From the early stages of developing a model of diffraction, we make abundant use the dual reference frames namely the direct and reciprocal reference frames. With this approach, W. L. Bragg's law can be reformulated directly in terms of the reciprocal unit cell constants avoiding thus the necessity to introduce a priori the notion of lattice planes. Following the derivation of the diffraction law, different steps and methods leading to the complete determination of a crystal structure are derived. We present also some simulation tools to explain in particular the crystal diffraction phenomenon based on the Ewald sphere and the solution of crystalline structures based on the dual space iteration techniques which are currently used.
尽管W·L·布拉格定律对于结晶学领域的初学者来说很容易推导出来,但它的解释似乎引起了一些困难,这些困难主要在于晶格平面的概念和表征晶体结构晶格周期性的晶胞常数之间的关系。我们的方法当然不是新的,而是基于一种更物理的方法,即晶体中的每一个点都参与衍射过程。从建立衍射模型的早期阶段起,我们就充分利用了双参考系,即直接参考系和倒数参考系。有了这种方法,W·L·布拉格定律可以直接用倒数晶胞常数来重新表述,从而避免了先验引入晶格平面概念的必要性。根据衍射定律的推导,导出了导致晶体结构完全确定的不同步骤和方法。我们还介绍了一些模拟工具,特别是解释基于埃瓦尔德球的晶体衍射现象和基于目前使用的双空间迭代技术的晶体结构的求解。
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引用次数: 2
A place in history: the biography of John C. Kendrew 历史上的一个地方:约翰·c·肯德鲁的传记
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-10-02 DOI: 10.1080/0889311x.2021.1986487
A. Liljas
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引用次数: 0
Teaching crystallography 晶体学教学
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-10-02 DOI: 10.1080/0889311x.2022.2043544
P. Bombicz
Plato, the student of Socrates and the teacher of Aristotle, endorsed that the fundamental task of education is that of helping students to value reason and to be reasonable. Are there proper criteria for evaluating educational efforts and practices? The overall aim is the enhancement of understanding, production of knowledge and of knowledgeable students. Teaching materials may facilitate learning, may help students to evaluate, organize, integrate and retrieve information. Issue 3 of Volume 27 of Crystallography Reviews presents two articles, a topical and a tutorial one, on teaching crystallography from two eminent scientists and appreciated educators: Professors John Helliwell and Gervais Chapuis. While John Helliwell asks the question ‘How should we teach crystallography?’, Gervais Chapius offers an introduction to the diffraction of crystals. John Helliwell from the Department of Chemistry, University of Manchester, UK prepared ‘A review of teaching books contents pages’ screening around 30 crystallography textbooks. The survey of the sequence of chapters showed that in the majority of books the classical crystallography preceded the description of diffraction. However, his point is that a coursebook for those students who treat crystallography as a service should start with diffraction, the classical crystallography can follow explaining the results. Anyhow, a stand cannot be made for a unique way of explaining crystallography, since it depends on the science subject that a student comes from (physics, chemistry or biology), on the level of education (undergraduate, graduate or later), and on the desired depth of understanding of crystallography. Gervais Chapuis from École Polytechnique Fédérale de Lausanne, Switzerland, in his article ‘An elementary treatment on the diffraction of crystalline structures’ presents first the periodic nature of crystalline structures, followed by the crystallographic reference frames, and then by modelling the diffraction laws. Here, he introduces the Laue equation and its interpretation by the Ewald sphere as a start, then comes the interpretation of the Bragg equation. With this approach, Bragg’s law can be reformulated directly in terms of the reciprocal unit cell constants avoiding thus the necessity to introduce a priori the notion of lattice planes. The article is based on the lecture given during the summer school of the Italian Association of Crystallography on the Fundamentals of Crystallography in 2021. ‘A review on the structural and magnetic properties of differently doped bismuthferritemultiferroics’ completes this issue by S. R. Dhanya, Jyotirmayee Satapathy and Pavan Kumar from the Department of Physics, Amrita Vishwa Vidyapeetham, Amritapuri and Matrusri EngineeringCollege, Hyderabad, India. Bismuth ferrite is one among the recently identified multiferroic materials whose magnetic response increases with decreasing particle size and possesses antiferromagnetic ordering above room temperature.
柏拉图,苏格拉底的学生和亚里士多德的老师,赞同教育的基本任务是帮助学生重视理性和理性。是否有适当的标准来评价教育工作和实践?总体目标是增进理解,生产知识和知识渊博的学生。教材可以促进学习,可以帮助学生评价、组织、整合和检索信息。《晶体学评论》第27卷第3期发表了两篇文章,一篇专题文章和一篇教程文章,介绍了两位著名科学家和著名教育家的晶体学教学:教授John Helliwell和Gervais Chapuis。John Helliwell提出了一个问题“我们应该如何教授晶体学?”, Gervais Chapius介绍了晶体的衍射。来自英国曼彻斯特大学化学系的John Helliwell准备了一份“教学书籍内容页回顾”,对大约30本晶体学教科书进行了筛选。对章节顺序的调查表明,在大多数书中,经典晶体学先于衍射的描述。然而,他的观点是,对于那些把晶体学当作一种服务的学生来说,一本教材应该从衍射开始,然后再解释经典晶体学的结果。无论如何,不能以一种独特的方式来解释晶体学,因为它取决于学生的科学学科(物理、化学或生物),取决于教育水平(本科、研究生或更高),以及对晶体学的期望理解深度。来自École瑞士洛桑理工学院的Gervais Chapuis在他的文章“晶体结构衍射的基本处理”中首先提出了晶体结构的周期性,然后是晶体学参考框架,然后是衍射定律的建模。在这里,他首先介绍了劳厄方程以及用埃瓦尔德球对其的解释,然后是对布拉格方程的解释。通过这种方法,布拉格定律可以直接用互易的单位胞常数来重新表述,从而避免了先验地引入晶格平面概念的必要性。这篇文章是根据2021年意大利晶体学协会暑期学校关于晶体学基础的讲座改编的。印度阿姆里塔普里和Matrusri工程学院物理系的S. R. Dhanya、Jyotirmayee Satapathy和Pavan Kumar在“不同掺杂铋铁体多铁体的结构和磁性回顾”中完成了这一课题。铋铁氧体是近年来发现的一种多铁性材料,其磁性响应随粒径的减小而增大,在室温以上具有反铁磁性有序。兴奋剂与
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引用次数: 0
Powering the U.S. army of the future 为未来的美国军队提供动力
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-09-22 DOI: 10.1080/0889311x.2021.1972098
Ernst Ferg
(2021). Powering the U.S. army of the future. Crystallography Reviews: Vol. 27, No. 2, pp. 130-132.
(2021)。为未来的美国军队提供动力。晶体学评论:Vol. 27, No. 2, pp. 130-132。
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引用次数: 0
Department of mind-blowing theories 令人震惊的理论系
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2021-04-03 DOI: 10.1080/0889311x.2021.1960321
Claire Murray
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Crystallography Reviews
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