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The virus and the scientist: editorial for Crystallography Reviews, Issue 4 of Volume29, 2023 Crys. Rev. (IF 3.0) Pub Date : 2024-03-11 Petra Bombicz
Published in Crystallography Reviews (Vol. 29, No. 4, 2023)
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What a twist: structural biology of the SARS-CoV-2 helicase nsp13 Crys. Rev. (IF 3.0) Pub Date : 2024-02-26 Sam Horrell, Sam Martino, Ferdinand Kirsten, Dénes Berta, Gianluca Santoni, Andrea Thorn
SARS-CoV-2 nsp13 is a multifunctional helicase from helicase superfamily 1B. It unwinds the viral RNA genome for replication and is thought to play a role in 5’ mRNA capping to produce mature mRNA ...
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Research progress on the formation, function, and impact of calcium oxalate crystals in plants Crys. Rev. (IF 3.0) Pub Date : 2024-02-13 Hao He, Donghui Li, Xingxing Li, Li Fu
Calcium oxalate (CaOx) crystals, ubiquitous in numerous plant families, have emerged as fascinating and complex structures with far-reaching implications in plant physiology, ecology, and human hea...
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Host–guest complexes in the crystal land: a plethora of crystal forms and crystallization peculiarities Crys. Rev. (IF 3.0) Pub Date : 2024-02-13 Oksana Danylyuk
This review focuses on the pathway-dependent crystallization of the host–guest complexes based on the macrocyclic host molecules in aqueous media. The high degree of structural diversity from the s...
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Space groups – the final frontier: a tutorial guided tour of some entries in International Tables for Crystallography Volume A Crys. Rev. (IF 3.0) Pub Date : 2024-02-15 William Clegg
After an introductory section providing some basic foundation, definitions, and terminology regarding space group symmetry in crystal structures, three particular examples are selected to demonstra...
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Breaking through, my life in science Crys. Rev. (IF 3.0) Pub Date : 2024-02-13 Petra Bombicz
Published in Crystallography Reviews (Vol. 29, No. 4, 2023)
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Reviews on the structural and non-structural proteins of SARS-CoV-2, and anharmonic description of atomic vibrations Crys. Rev. (IF 3.0) Pub Date : 2023-11-22 Petra Bombicz
Published in Crystallography Reviews (Vol. 29, No. 3, 2023)
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Computational drug discovery and design Crys. Rev. (IF 3.0) Pub Date : 2023-11-20 Mutia Anika, Yogy Satria Ariyanto
Published in Crystallography Reviews (Vol. 29, No. 4, 2023)
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Structural biology of SARS-CoV-2 exoribonuclease/N7–methyltransferase (nsp14), 2′–O–methyltransferase (nsp16) and their enhancing protein (nsp10) Crys. Rev. (IF 3.0) Pub Date : 2023-11-05 Cameron Fyfe, Lea C. von Soosten, Gianluca Santoni, Andrea Thorn
Coronaviruses have a very large genome of up to 32 kb in length, almost two thirds of which encode for proteins involved in the production of the virus’s own RNA. Due to the inherent mutations that...
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Gram–Charlier approach for anharmonic atomic displacements in inorganic solids: A review Crys. Rev. (IF 3.0) Pub Date : 2023-11-05 S. N. Volkov, D. O. Charkin, V. A. Firsova, S. M. Aksenov, R. S. Bubnova
All thermal vibrations of atoms are in fact anharmonic – this is the underlying reason for the manifestation of many physical properties of solids, primarily its thermal expansion. By now, over thr...
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SARS-CoV-2 envelope protein and its relationship to the membrane protein Crys. Rev. (IF 3.0) Pub Date : 2023-11-05 Luise Kandler, Oliver Kippes, Maximilian Edich, Sabrina Stäb, Gianluca Santoni, Andrea Thorn
The structural proteins located on the SARS-CoV-2 envelope, namely the spike, membrane and envelope protein, play important roles during the entire viral infection cycle. For example, the interacti...
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Polymorphism in molecular crystals Crys. Rev. (IF 3.0) Pub Date : 2023-11-05 Nikoletta B. Báthori
Published in Crystallography Reviews (Vol. 29, No. 3, 2023)
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Structural biology and drug design: conformational stability, flexibility and disordering; the SARS-CoV-1/SARS-CoV-2 main protease; first two Springer/IUCr Briefs Crys. Rev. (IF 3.0) Pub Date : 2023-08-29 Petra Bombicz
Published in Crystallography Reviews (Vol. 29, No. 2, 2023)
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Quantum crystallography expectations versus reality Crys. Rev. (IF 3.0) Pub Date : 2023-08-10 John R. Helliwell
Published in Crystallography Reviews (Vol. 29, No. 2, 2023)
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Natural quasicrystals the solar system’s hidden secrets Crys. Rev. (IF 3.0) Pub Date : 2023-08-03 John R. Helliwell
Published in Crystallography Reviews (Vol. 29, No. 2, 2023)
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Structural biology of SARS-CoV-1/SARS-CoV-2 main protease Crys. Rev. (IF 3.0) Pub Date : 2023-06-23 Yunyun Gao, Johannes Kaub, Gianluca Santoni, Nicholas Pearce, Andrea Thorn
The SARS-CoV-1/SARS-CoV-2 main protease cleaves the nascent viral polyproteins into biologically functional molecules, which are essential for viral reproduction inside the host cell. With more than 500 crystal structures available, it is one of the most heavily researched coronavirus proteins and a popular drug target. This review focuses on putting the function and structure of the main protease
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Various structures from thin films via hydrogels to viruses – what the discovery of diffraction by Max von Laue offers in present times Crys. Rev. (IF 3.0) Pub Date : 2023-05-24 Petra Bombicz
Published in Crystallography Reviews (Vol. 29, No. 1, 2023)
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Intrinsic disorder and flexibility in proteins: a challenge for structural biology and drug design Crys. Rev. (IF 3.0) Pub Date : 2023-05-18 Giuseppe Zanotti
The structure–function paradigm, i.e. the concept that it is the three-dimensional structure of a protein that determines its function, has been partially modified by the discovery that a significant portion of the eukaryotic proteome is disordered and that this disorder is often functional. The presence of disorder is the origin of several issues, but the most relevant, at least from the biomedical
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Structural biology of SARS-CoV-2 accessory proteins Crys. Rev. (IF 3.0) Pub Date : 2023-05-17 David C. Briggs, Luise Kandler, Lisa Schmidt, Gianluca Santoni, Andrea Thorn
ABSTRACT The coronavirus SARS-CoV-2 is the causative agent for the COVID-19 pandemic. Its proteome is typically separated into three classes of proteins: (1) Structural proteins which facilitate the transport and host cell infiltration of the viral RNA, (2) non-structural proteins which are thought to be essential for the viral life cycle and are all produced from open reading frame 1ab (ORF1ab) on
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Indexing of grazing-incidence X-ray diffraction patterns Crys. Rev. (IF 3.0) Pub Date : 2023-03-17 Josef Simbrunner, Ingo Salzmann, Roland Resel
ABSTRACT Grazing Incidence X-ray Diffraction (GIXD) has been established as a powerful tool for the structural characterization of thin films. However, indexing of the experimentally observed diffraction peaks without prior knowledge of the involved crystal lattices has turned out as a challenging task. During the last years a series of works were published which introduce indexing methods for different
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Max von Laue – intrepid and true: a biography of the physics Nobel laureate Crys. Rev. (IF 3.0) Pub Date : 2023-03-10 Moreton Moore
Published in Crystallography Reviews (Vol. 29, No. 1, 2023)
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Crystallography of ice Crys. Rev. (IF 3.0) Pub Date : 2022-11-08 Petra Bombicz
Published in Crystallography Reviews (Vol. 28, No. 4, 2022)
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Crystallization: from molecules to crystal structures Crys. Rev. (IF 3.0) Pub Date : 2022-11-03 Petra Bombicz
Published in Crystallography Reviews (Vol. 28, No. 2-3, 2022)
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Crystallisation of organic materials from the solution phase: a molecular, synthonic and crystallographic perspective Crys. Rev. (IF 3.0) Pub Date : 2022-10-27 Nornizar Anuar, Siti Nurul’ain Yusop, Kevin J. Roberts
The fundamental crystal science underpinning the industrial crystallisation of organic materials is reviewed from molecular, intermolecular (synthonic) and crystallographic perspectives. The main aspects that differentiate the crystal growth of these materials from more conventional commercial crystal growth of large single crystals and epitaxial layers for micro-electronic applications are highlighted
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Tunable hydrogels: smart materials for biomedical applications Crys. Rev. (IF 3.0) Pub Date : 2022-10-17 William Xaveriano Waresindo, Richardo Barry Astro, Khairurrijal Khairurrijal
Published in Crystallography Reviews (Vol. 29, No. 1, 2023)
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Neutrons meet ice polymorphs Crys. Rev. (IF 3.0) Pub Date : 2022-10-05 Kazuki Komatsu
The current epoch can be described as the ‘age of ice-rush’, as the rate of discovery of ice polymorphs, of which there are currently 20 known, has accelerated, particularly since the end of the last century. This is largely owing to advances in neutron diffraction under pressure. Neutrons can interact with light elements such as hydrogen as well as heavy elements, making neutron diffraction essential
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COVID – structural research of SARS-CoV-2 Crys. Rev. (IF 3.0) Pub Date : 2022-08-01 Petra Bombicz
Published in Crystallography Reviews (Vol. 28, No. 1, 2022)
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Snow crystals: a case study in spontaneous structure formation Crys. Rev. (IF 3.0) Pub Date : 2022-07-27 Vesselin Tonchev, Valeria Stoyanova
Published in Crystallography Reviews (Vol. 28, No. 4, 2022)
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The Swiss army knife of SARS-CoV-2: the structures and functions of NSP3 Crys. Rev. (IF 3.0) Pub Date : 2022-07-25 Lea C. von Soosten, Maximilian Edich, Kristopher Nolte, Johannes Kaub, Gianluca Santoni, Andrea Thorn
With up to 17 domains, non-structural protein 3 (nsp3) is the largest protein of SARS-CoV-2. In part due to its large size, many of its functions still remain a mystery. It is known that nsp3 fulfils several essential functions in the cycle of infection, however most of its domains have not been structurally determined. One of its essential functions is to cleave the polyprotein, which is translated
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Structural biology of SARS-CoV-2 nucleocapsid Crys. Rev. (IF 3.0) Pub Date : 2022-06-24 Oliver Kippes, Andrea Thorn, Gianluca Santoni
The main focus of drug development against COVID-19 is on the spike protein and proteases. However, such drugs can be problematic because of mutations (in the case of the spike protein) and harmful to cellular homologs (in case of the proteases). Here, we review a viral protein that due to its conserved and multifunctional nature may be an alternative drug target: SARS-CoV-2 nucleocapsid. This protein
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Structural biology of SARS-CoV-2 endoribonuclease NendoU (nsp15) Crys. Rev. (IF 3.0) Pub Date : 2022-06-11 Sam Horrell, Gianluca Santoni, Andrea Thorn
The SARS-CoV-2’s endoribonuclease (NendoU) nsp15, is an Mn2+ dependent endoribonuclease specific to uridylate that SARS-CoV-2 uses to avoid the innate immune response by managing the stray RNA generated during replication. As of the writing of this review 20 structures of SARS-CoV-2 nsp15 have been deposited into the PDB, largely solved using X-ray crystallography and some through Cryo-EM. These structures
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Natural Bioactive Compounds: Volume 2 Chemistry, Pharmacology, and Health Care Practices Crys. Rev. (IF 3.0) Pub Date : 2022-05-13 Siska Elisahbet Sinaga, Unang Supratman, Tri Mayanti
Published in Crystallography Reviews (Vol. 28, No. 2-3, 2022)
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Inclusion compounds: structure, kinetics and selectivity Crys. Rev. (IF 3.0) Pub Date : 2022-05-07 Luigi R. Nassimbeni, Nicole M. Sykes
The physicochemical properties of Inclusion Compounds are described in terms of structure, selectivity, kinetics of decomposition, and enclathration. Their formation and stability are dependent on the phenomenon of molecular recognition. Thus, their thermal behaviour results from the secondary interactions which occur in the various molecular and ionic components which govern their crystalline packing
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Structural biology in drug discovery: methods, techniques, and practices Crys. Rev. (IF 3.0) Pub Date : 2022-03-20 Daumantas Matulis
Published in Crystallography Reviews (Vol. 28, No. 1, 2022)
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Teaching crystallography Crys. Rev. (IF 3.0) Pub Date : 2022-02-23 Petra Bombicz
(2021). Teaching crystallography. Crystallography Reviews: Vol. 27, No. 3-4, pp. 133-134.
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X-ray fluorescence spectrometry analysis for geoscience Crys. Rev. (IF 3.0) Pub Date : 2022-02-05 Maggi Loubser
Published in Crystallography Reviews (Vol. 28, No. 1, 2022)
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An elementary treatment on the diffraction of crystalline structures Crys. Rev. (IF 3.0) Pub Date : 2022-01-31 Gervais 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
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Handbook of food enzymology, 1st edition Crys. Rev. (IF 3.0) Pub Date : 2022-01-27 Michele Cianci
(2021). Handbook of food enzymology, 1st edition. Crystallography Reviews: Vol. 27, No. 3-4, pp. 206-208.
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A review on the structural and magnetic properties of differently doped bismuth-ferrite multiferroics Crys. Rev. (IF 3.0) Pub Date : 2021-12-31 S. R. Dhanya, Jyotirmayee 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
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Carbonic anhydrase as drug target – thermodynamics and structure of inhibitor binding Crys. Rev. (IF 3.0) Pub Date : 2021-12-02 Franz-Josef Meyer-Almes
(2021). Carbonic anhydrase as drug target – thermodynamics and structure of inhibitor binding. Crystallography Reviews: Vol. 27, No. 3-4, pp. 209-210.
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Artificial Intelligence and Machine Learning in Crystallography Editorial for Crystallography Reviews, Issue 2 of Volume27, 2021 Crys. Rev. (IF 3.0) Pub Date : 2021-11-22 Petra Bombicz
(2021). Artificial Intelligence and Machine Learning in Crystallography Editorial for Crystallography Reviews, Issue 2 of Volume27, 2021. Crystallography Reviews: Vol. 27, No. 2, pp. 51-53.
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Machine learning applications in macromolecular X-ray crystallography Crys. Rev. (IF 3.0) Pub Date : 2021-10-04 Melanie Vollmar, Gwyndaf Evans
After more than half a century of evolution, machine learning and artificial intelligence, in general, are entering a truly exciting era of broad application in commercial and research sectors. In X-ray crystallography, and its application to structural biology, machine learning is finding a home within expert and automated systems, is forecasting experiment and data analysis outcomes, is predicting
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Cocrystallization as a tool to stabilize liquid active ingredients Crys. Rev. (IF 3.0) Pub Date : 2021-09-22 Alessia Bacchi, Paolo Pio Mazzeo
Cocrystallization is an extensively used method in Crystal Engineering for tuning the properties of target compounds by pairing them with ad-hoc selected molecular partners (i.e. coformers) in a stoichiometric ratio within the same crystal structure. The formation of a new intermolecular network significantly alters the physical–chemical properties of the final material, becoming crucial for target
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Department of mind-blowing theories Crys. Rev. (IF 3.0) Pub Date : 2021-10-06 Claire Murray
(2021). Department of mind-blowing theories. Crystallography Reviews: Vol. 27, No. 2, pp. 127-129.
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Powering the U.S. army of the future Crys. Rev. (IF 3.0) Pub Date : 2021-09-22 Ernst Ferg
(2021). Powering the U.S. army of the future. Crystallography Reviews: Vol. 27, No. 2, pp. 130-132.
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A place in history: the biography of John C. Kendrew Crys. Rev. (IF 3.0) Pub Date : 2021-11-01 Anders Liljas
(2021). A place in history: the biography of John C. Kendrew. Crystallography Reviews: Vol. 27, No. 3-4, pp. 211-212.
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How should we teach crystallography? A review of teaching books’ contents pages Crys. Rev. (IF 3.0) Pub Date : 2021-10-21 John R. 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
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Introduction to crystallography Crys. Rev. (IF 3.0) Pub Date : 2021-09-06 David A. Keen
(2021). Introduction to crystallography. Crystallography Reviews: Vol. 27, No. 2, pp. 124-126.
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Science in space: crystallographyEditorial for Crystallography Reviews, Issue 1 of Volume27, 2021 Crys. Rev. (IF 3.0) Pub Date : 2021-05-10 Petra Bombicz
(2021). Science in space: crystallographyEditorial for Crystallography Reviews, Issue 1 of Volume27, 2021. Crystallography Reviews: Vol. 27, No. 1, pp. 1-2.
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Microgravity as an environment for macromolecular crystallization – an outlook in the era of space stations and commercial space flight Crys. Rev. (IF 3.0) Pub Date : 2021-04-08 E. H. Snell, J. R. Helliwell
ABSTRACT In 2005 we reviewed microgravity for macromolecular crystallization, four years after the final flight of the Space Shuttle Orbiter, and five years before the first commercial flight to the International Space Station. Since then, there have been developments in access to space and advances in technology. More regular space flight is becoming a reality, new diffraction data detectors have
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Quantum crystallography, and more, why and how science matters Editorial for Crystallography Reviews, Issue 4 of 2020 Crys. Rev. (IF 3.0) Pub Date : 2020-12-30 Petra Bombicz
(2020). Quantum crystallography, and more, why and how science matters Editorial for Crystallography Reviews, Issue 4 of 2020. Crystallography Reviews: Vol. 26, No. 4, pp. 207-208.
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INTRODUCTION TO PROTEINS, Introduction to Proteins: Structure, Function, and Motion, 2nd edition Crys. Rev. (IF 3.0) Pub Date : 2020-12-21 Michele Cianci
(2021). INTRODUCTION TO PROTEINS, Introduction to Proteins: Structure, Function, and Motion, 2nd edition. Crystallography Reviews: Vol. 27, No. 1, pp. 47-50.
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Science-in-time: from basics to technical fruition, from childhood to fulfilment Editorial for Crystallography Reviews, Issue 3 of 2020 Crys. Rev. (IF 3.0) Pub Date : 2020-11-26 Petra Bombicz Editor
(2020). Science-in-time: from basics to technical fruition, from childhood to fulfilment Editorial for Crystallography Reviews, Issue 3 of 2020. Crystallography Reviews: Vol. 26, No. 3, pp. 117-118.
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The Whats of a Scientific Life Crys. Rev. (IF 3.0) Pub Date : 2020-10-07 Jaqueline S. du Toit
(2020). The Whats of a Scientific Life. Crystallography Reviews: Vol. 26, No. 4, pp. 269-271.
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Women in their element – selected women’s contributions to the periodic system Crys. Rev. (IF 3.0) Pub Date : 2020-10-07 Hanna A. Dabkowska
(2020). Women in their element – selected women’s contributions to the periodic system. Crystallography Reviews: Vol. 26, No. 4, pp. 272-273.
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The connubium between crystallography and quantum mechanics Crys. Rev. (IF 3.0) Pub Date : 2020-10-01 Piero Macchi
By rephrasing the incipit of one of the most influential books: a spectre is haunting science, the spectre of quantum crystallography. This name is ever more frequent in the scientific literature and very appealing. Though, what does it reflect? Both crystallography and quantum mechanics are branches of science, although perceived in an inappropriate way: crystallography is often a synonymous for X-ray
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Total scattering and the pair distribution function in crystallography Crys. Rev. (IF 3.0) Pub Date : 2020-07-02 David A. Keen
The importance of total scattering and its Fourier transform, the pair distribution function, in crystallography was understood soon after it was shown that crystals diffract X-rays. However for the next fifty years or so other techniques based more firmly on the crystal lattice came to the fore and total scattering measurements were largely the domain of those studying liquid and amorphous structure
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I ♥ ‘Heart’ Pluto Crys. Rev. (IF 3.0) Pub Date : 2020-07-02 Ilya Mandel
I am not a planets person. Well, I once took a break from my usual playground of high-energy astrophysics and wrote an article about planets, specifically planets orbiting stars other than the Sun....
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A life among men, women and molecules memoirs of an Indian scientist Crys. Rev. (IF 3.0) Pub Date : 2020-07-02 John R. Helliwell
Professor M. Vijayan, a National Academy of Sciences India Platinum Jubilee Senior Scientist based at the Molecular Biophysics Unit Indian Institute of Science, Bangalore, India has retired and sha...
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What is a crystal to the new chemical crystallographer, after that first, automated structure analysis? Crys. Rev. (IF 3.0) Pub Date : 2020-05-15 Larry R. Falvello
This educational review postulates the importance of maintaining an adequate level of crystallographic education among structure-dependent scientists whose interests are not primarily in crystallography, at a time when automation and validation have made it possible to obtain high-quality structure analyses in many cases with a minimum of crystallographic background. The topics addressed are intended