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The Hydrogen Bond. A Bond for Life 氢键。终身债券
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-09-24 DOI: 10.1080/0889311X.2019.1667338
G. Desiraju
It is not unusual in accounts of the discovery of the double helix to encounter highly critical comments on the behaviour of individuals involved and this book is no exception. However judgements are well supported by extensive references with the 387 pages of text being followed by 60 pages containing some 1500 notes identifying sources – a remarkable number for a book aimed at a general audience. In this context it is worth quoting from the author’s Last Words, ‘With such a rich and diverse cast, there are plenty of candidates who could round off the story in style. My own choice is a man who hovered on the periphery of the action, but who determined the course of this particular stretch of history: John Randall. Without him, the structure of the double helix would still have been solved – but Francis Crick, JimWatson, MauriceWilkins and Rosalind Franklin would probably have played no part in that discovery’. Randall continued to embrace challenges: in the early 1960s he secured generous support from the Medical Research Council and the Welcome Trust to establish a Department of Biophysics in a handsomely restored 5-storey building in Covent Garden and when he retired to Edinburgh University in 1970 he assembled a group undertaking novel studies of protein structure by neutron scattering at the Institut Laue-Langevin in Grenoble.
在对双螺旋的发现的描述中,遇到对相关个人行为的高度批评并不罕见,本书也不例外。然而,这些判断得到了大量参考文献的支持,387页的文本后面是60页,其中包含约1500条确定来源的注释——对于一本面向普通读者的书来说,这是一个了不起的数字。在这种背景下,值得引用作者的《遗言》,“有了如此丰富多样的演员阵容,有很多候选人可以在风格上完善故事。我自己的选择是一个徘徊在行动边缘的人,但他决定了这段特定历史的进程:约翰·兰德尔。如果没有他,双螺旋结构仍然会得到解决——但弗朗西斯·克里克、吉姆沃森、毛里切·威尔金斯和罗莎琳德·富兰克林可能不会参与这一发现。兰德尔继续接受挑战:20世纪60年代初,他获得了医学研究委员会和欢迎信托基金的慷慨支持,在考文特花园一栋经过华丽修复的5层建筑中成立了生物物理系。1970年,当他退休到爱丁堡大学时,他组建了一个小组,在格勒诺布尔Laue Langevin研究所。
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引用次数: 5
A history and an industry perspective of crystallography 结晶学的历史与产业视角
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-08-14 DOI: 10.1080/0889311X.2019.1641098
P. Bombicz
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引用次数: 2
Macromolecular atomic model refinement Editorial for Crystallography Reviews, Issue 3 of 2019 《晶体学评论》大分子原子模型精细化编辑,2019年第3期
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-07-03 DOI: 10.1080/0889311X.2019.1639487
P. Bombicz
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引用次数: 0
Introduction to crystallographic refinement of macromolecular atomic models 大分子原子模型结晶学精化导论
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-07-03 DOI: 10.1080/0889311X.2019.1631817
A. Urzhumtsev, V. Lunin
ABSTRACT Refinement of atomic models is a necessary step in solving the macromolecular structure by X-ray diffraction methods. Nowadays, high automation and well-developed interfaces give a possibility to use the most popular refinement programs as black boxes. Nevertheless, working with complex objects requires an understanding of the internal structure and principles of operation of these programs and critical assessment of the results of refinement. In this review, we discuss the basic principles of the organization of refinement programs and the history of their improvement and development, as the studied objects became more and more complicated. The discussions are kept at the level of basic mathematic knowledge avoiding unnecessary formalism and too detailed expressions.
原子模型的精细化是用X射线衍射方法求解大分子结构的必要步骤。如今,高度自动化和发达的接口使人们有可能将最流行的精化程序用作黑盒。然而,处理复杂对象需要了解这些程序的内部结构和操作原理,并对改进结果进行关键评估。在这篇综述中,随着研究对象越来越复杂,我们讨论了精化程序组织的基本原则及其改进和发展的历史。讨论保持在基本数学知识的水平,避免不必要的形式主义和过于详细的表达。
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引用次数: 9
An industry perspective of crystallography: its communities and its educational courses and labs 晶体学的行业视角:其社区及其教育课程和实验室
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-07-01 DOI: 10.1080/0889311X.2019.1631295
D. Šišak Jung
ABSTRACT InGenious, so far the largest European education project clearly indicated one of the most important questions of modern education: optimizing the role of industry in education in STEM-fields (science, technology, engineering and mathematics). In this context, discussing the role of industry in crystallographic education could help to optimize future practices in the field. In an attempt to tackle this complex topic, first part of this review assesses definitions of crystallography, crystallographer and education approaches, and deducts questions on the challenges and opportunities of the contemporary crystallographic education. In the second part, some of these questions are answered by examining current and future roles of industry in crystallographic education: sponsorships, active teaching and technology transfer.
摘要InGenious是迄今为止欧洲最大的教育项目,它清楚地表明了现代教育最重要的问题之一:优化工业在STEM领域(科学、技术、工程和数学)教育中的作用。在这种背景下,讨论工业在晶体学教育中的作用可能有助于优化该领域的未来实践。为了解决这个复杂的话题,本综述的第一部分评估了晶体学、晶体学和教育方法的定义,并推导了关于当代晶体学教育的挑战和机遇的问题。在第二部分中,通过考察工业在晶体学教育中的当前和未来作用,回答了其中一些问题:赞助、积极教学和技术转让。
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引用次数: 0
The Whys of a Scientific Life 科学生活的原因
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-06-25 DOI: 10.1080/0889311x.2019.1624315
P. Barnes
The Whys of a Scientific Life gives an insight into the day-to-day lives of research scientists and explains how their research eventually impacts on society. It is written by Prof. John R. Helliwe...
《科学生活的原因》深入了解了研究科学家的日常生活,并解释了他们的研究最终如何影响社会。作者是John R. Helliwe教授。
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引用次数: 0
From then till now: changing data collection methods in single crystal X-ray crystallography since 1912 从那时到现在:1912年以来单晶x射线晶体学数据收集方法的变化
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-06-14 DOI: 10.1080/0889311X.2019.1615483
H. Powell
ABSTRACT The principal method used today for single crystal X-ray data collection is the Arndt–Wonacott screenless rotation method formalized in the late 1970s, but the physical hardware used now would be barely recognizable to scientists at that time. However, the technique of rotating a crystal around a single goniostat axis, illuminating it with monochromatic radiation, and collecting the data on a flat detector is identical. Indeed, this would not have been very surprising to the pioneers of X-ray crystallography early in the Twentieth Century, since the elements of this method were available in the early days of the science. In a sense, therefore, we have come full circle after utilizing a variety of different experimental methods and equipment, and the question arises; ‘how did we get here?’; after all, there were long periods in our science where we used point detectors or curved area detectors, or using polychromatic X-rays and stationary crystals. This review was originally presented at ECM31 in Oviedo, Spain in August 2018 under the title `Vagando entre los picos ¿cómo llegué hastaaquí? Improving methods in data collection and processing’; the Spanish texttranslates as ‘Wandering amongst the peaks – how did I get here?’.
目前用于单晶x射线数据收集的主要方法是20世纪70年代末形成的Arndt-Wonacott无屏幕旋转法,但现在使用的物理硬件在当时的科学家中几乎无法识别。然而,围绕单个测角器轴旋转晶体,用单色辐射照射晶体,并在平面探测器上收集数据的技术是相同的。事实上,对于二十世纪早期x射线晶体学的先驱来说,这并不奇怪,因为这种方法的要素在科学的早期就已经存在了。因此,从某种意义上说,我们在使用了各种不同的实验方法和设备后又兜了一个圈,问题出现了;“我们是怎么到这儿来的?”毕竟,在我们的科学中有很长一段时间,我们使用点探测器或弯曲区域探测器,或使用多色x射线和固定晶体。本综述最初于2018年8月在西班牙奥维耶多举行的ECM31上发表,标题为“Vagando entre los picos¿cómo lleggu hastaaquí?”改进数据收集和处理方法;西班牙文翻译过来是“徘徊在山峰之间——我是如何到达这里的?”
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引用次数: 5
Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones 晶体衍射和拟合数据的度量:对现有数据的回顾和对新数据的需求
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-04-03 DOI: 10.1080/0889311X.2019.1607845
Julian Henn
ABSTRACT In this review the state of the art in metrics for single crystal diffraction data and suggested new developments are described. The focus is on how these metrics can help or prevent not only to describe the data but also to give hints towards unresolved modelling problems, identifying systematic errors and their sources.
本文综述了单晶衍射数据度量的最新进展,并提出了新的发展方向。重点是这些指标如何帮助或防止不仅描述数据,而且为未解决的建模问题提供提示,识别系统错误及其来源。
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引用次数: 2
Data quality improvement of diffraction data Editorial for Crystallography Reviews, Issue 2 of Volume 25 (2019) 《晶体学评论》第25卷第2期(2019)
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-04-03 DOI: 10.1080/0889311X.2019.1620741
P. Bombicz
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引用次数: 0
Biological small angle scattering 生物小角散射
IF 3 2区 化学 Q2 CRYSTALLOGRAPHY Pub Date : 2019-03-26 DOI: 10.1080/0889311X.2019.1592168
A. Bóta
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引用次数: 2
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