Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D [0.03%]
蝴蝶翅膀中的白色色素 Leucopterin 的结构分析：PDF拟合、FIDEL 拟合、Rietveld 详尽修正、固态核磁共振及 DFT-D 分析
Federica Bravetti,Lukas Tapmeyer,Kathrin Skorodumov et al.
Federica Bravetti et al.
Leucopterin (C6H5N5O3) is the white pigment in the wings of Pieris brassicae butterflies, and other butterflies; it can also be found in wasps and other insects. Its crystal structure and its tautomeric form in the solid state were hitherto...
High-throughput calculation screening for new silicon allotropes with monoclinic symmetry [0.03%]
具有单斜对称性的新型硅同素异形体的高通量计算筛选
Qingyang Fan,Jie Wu,Yingbo Zhao et al.
Qingyang Fan et al.
A total of 87 new monoclinic silicon allotropes are systematically scanned by a random strategy combined with group and graph theory and high-throughput calculations. The new allotropes include 13 with a direct or quasi-direct band gap and ...
Understanding structural distortions in hybrid layered perovskites with the n = 1 Ruddlesden-Popper structure [0.03%]
具有n=1类鲁德尔森-波普peroVKITE结构的杂化层状材料中的结构畸变理解
Tianyu Liu,Noah P Holzapfel,Patrick M Woodward
Tianyu Liu
A symmetry mode analysis yields 47 symmetrically distinct patterns of octahedral tilting in hybrid organic-inorganic layered perovskites that adopt the n = 1 Ruddlesden-Popper (RP) structure. The crystal structures of compounds belonging to...
Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity [0.03%]
晶体结构和动力学研究表明实验室进化的醛还原酶的新底物特异性重大转变的原因
Shruthi Sridhar,Alberto Zavarise,Tiila Riikka Kiema et al.
Shruthi Sridhar et al.
The Fe2+-dependent E. coli enzyme FucO catalyzes the reversible interconversion of short-chain (S)-lactaldehyde and (S)-1,2-propanediol, using NADH and NAD+ as cofactors, respectively. Laboratory-directed evolution experiments have been car...
Cody Gillman,William J Nicolas,Michael W Martynowycz et al.
Cody Gillman et al.
In this work, a novel crystal growth method termed suspended drop crystallization has been developed. Unlike traditional methods, this technique involves mixing protein and precipitant directly on an electron microscopy grid without any add...
Effect of annealing on the magnetic microstructure of high-pressure torsion iron: the relevance of higher-order contributions to the magnetic small-angle neutron scattering cross section [0.03%]
退火对高压扭旋铁的磁微结构的影响：磁小角中子散射截面高阶项的相关性研究
Mathias Bersweiler,Hirokazu Sato,Nozomu Adachi et al.
Mathias Bersweiler et al.
The development of higher-order micromagnetic small-angle neutron scattering theory in nanocrystalline materials is still in its infancy. One key challenge remaining in this field is understanding the role played by the microstructure on th...
Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi [0.03%]
VMXi环境下的室温原位晶体学的蛋白质到结构流程线研究
Halina Mikolajek,Juan Sanchez-Weatherby,James Sandy et al.
Halina Mikolajek et al.
The utility of X-ray crystal structures determined under ambient-temperature conditions is becoming increasingly recognized. Such experiments can allow protein dynamics to be characterized and are particularly well suited to challenging pro...
The crystal structure of the killer fibre erionite from Tuzköy (Cappadocia, Turkey) [0.03%]
土耳其卡帕多奇亚Tuzköy的杀手纤维埃里诺石的晶体结构
Carlotta Giacobbe,Anna Moliterni,Dario Di Giuseppe et al.
Carlotta Giacobbe et al.
Erionite is a non-asbestos fibrous zeolite classified by the International Agency for Research on Cancer (IARC) as a Group 1 carcinogen and is considered today similar to or even more carcinogenic than the six regulated asbestos minerals. E...
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system. Corrigendum [0.03%]
人骨层骨围绕钙化线和哈弗系统中的骨矿性质及三维取向。勘误公告
Tilman A Grünewald,Andreas Johannes,Nina K Wittig et al.
Tilman A Grünewald et al.
The article by Grünewald et al. [IUCrJ (2023). 10, 189-198] is corrected. Keywords: Haversian system; SAXS;...
Published Erratum
IUCrJ. 2023 May 1;10(Pt 3):376. DOI:10.1107/S2052252523002695 2023
Chaotic advection mixer for capturing transient states of diverse biological macromolecular systems with time-resolved small-angle X-ray scattering [0.03%]
用于具有时间分辨小角X射线散射的多种生物大分子系统捕获瞬态状态的混沌 advective 混合器
Kara A Zielinski,Andrea M Katz,George D Calvey et al.
Kara A Zielinski et al.
Advances in time-resolved structural techniques, mainly in macromolecular crystallography and small-angle X-ray scattering (SAXS), allow for a detailed view of the dynamics of biological macromolecules and reactions between binding partners...