Crystallography Reviews最新文献

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The Hydrogen Bond. A Bond for Life 氢键。终身债券
IF 3 2区 化学
Crystallography Reviews Pub Date : 2019-09-24 DOI: 10.1080/0889311X.2019.1667338
G. Desiraju
{"title":"The Hydrogen Bond. A Bond for Life","authors":"G. Desiraju","doi":"10.1080/0889311X.2019.1667338","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1667338","url":null,"abstract":"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.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"26 1","pages":"64 - 65"},"PeriodicalIF":3.0,"publicationDate":"2019-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1667338","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48934103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
A history and an industry perspective of crystallography 结晶学的历史与产业视角
IF 3 2区 化学
Crystallography Reviews Pub Date : 2019-08-14 DOI: 10.1080/0889311X.2019.1641098
P. Bombicz
{"title":"A history and an industry perspective of crystallography","authors":"P. Bombicz","doi":"10.1080/0889311X.2019.1641098","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1641098","url":null,"abstract":"","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"263 - 263"},"PeriodicalIF":3.0,"publicationDate":"2019-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1641098","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42845279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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
Crystallography Reviews 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
Crystallography Reviews Pub Date : 2019-07-03 DOI: 10.1080/0889311X.2019.1631817
A. Urzhumtsev, V. Lunin
{"title":"Introduction to crystallographic refinement of macromolecular atomic models","authors":"A. Urzhumtsev, V. Lunin","doi":"10.1080/0889311X.2019.1631817","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1631817","url":null,"abstract":"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.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"164 - 262"},"PeriodicalIF":3.0,"publicationDate":"2019-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1631817","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42193803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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
Crystallography Reviews Pub Date : 2019-07-01 DOI: 10.1080/0889311X.2019.1631295
D. Šišak Jung
{"title":"An industry perspective of crystallography: its communities and its educational courses and labs","authors":"D. Šišak Jung","doi":"10.1080/0889311X.2019.1631295","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1631295","url":null,"abstract":"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.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"295 - 315"},"PeriodicalIF":3.0,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1631295","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49415949","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Whys of a Scientific Life 科学生活的原因
IF 3 2区 化学
Crystallography Reviews Pub Date : 2019-06-25 DOI: 10.1080/0889311x.2019.1624315
P. Barnes
{"title":"The Whys of a Scientific Life","authors":"P. Barnes","doi":"10.1080/0889311x.2019.1624315","DOIUrl":"https://doi.org/10.1080/0889311x.2019.1624315","url":null,"abstract":"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...","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"318 - 319"},"PeriodicalIF":3.0,"publicationDate":"2019-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311x.2019.1624315","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45915581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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
Crystallography Reviews Pub Date : 2019-06-14 DOI: 10.1080/0889311X.2019.1615483
H. Powell
{"title":"From then till now: changing data collection methods in single crystal X-ray crystallography since 1912","authors":"H. Powell","doi":"10.1080/0889311X.2019.1615483","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1615483","url":null,"abstract":"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?’.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"264 - 294"},"PeriodicalIF":3.0,"publicationDate":"2019-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1615483","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47574264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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
Crystallography Reviews Pub Date : 2019-04-03 DOI: 10.1080/0889311X.2019.1607845
Julian Henn
{"title":"Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones","authors":"Julian Henn","doi":"10.1080/0889311X.2019.1607845","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1607845","url":null,"abstract":"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.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"156 - 83"},"PeriodicalIF":3.0,"publicationDate":"2019-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1607845","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47242189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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
Crystallography Reviews Pub Date : 2019-04-03 DOI: 10.1080/0889311X.2019.1620741
P. Bombicz
{"title":"Data quality improvement of diffraction data Editorial for Crystallography Reviews, Issue 2 of Volume 25 (2019)","authors":"P. Bombicz","doi":"10.1080/0889311X.2019.1620741","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1620741","url":null,"abstract":"","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"81 - 82"},"PeriodicalIF":3.0,"publicationDate":"2019-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1620741","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46014186","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biological small angle scattering 生物小角散射
IF 3 2区 化学
Crystallography Reviews Pub Date : 2019-03-26 DOI: 10.1080/0889311X.2019.1592168
A. Bóta
{"title":"Biological small angle scattering","authors":"A. Bóta","doi":"10.1080/0889311X.2019.1592168","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1592168","url":null,"abstract":"","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"316 - 318"},"PeriodicalIF":3.0,"publicationDate":"2019-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1592168","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43413827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
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