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Prospects for coherent X-ray diffraction imaging at fourth-generation synchrotron sources [0.03%] 第四代同步辐射源进行相干X射线衍射成像的前景
Yuriy Chushkin,Federico Zontone Yuriy Chushkin
Coherent X-ray diffraction imaging is a lens-less microscopy technique that emerged with the advent of third-generation synchrotrons, modern detectors and computers. It can image isolated micrometre-sized objects with a spatial resolution o...
Courtney J Tremlett,Jack Stubbs,William S Stuart et al. Courtney J Tremlett et al.
Advancements in macromolecular crystallography, driven by improved sources and cryocooling techniques, have enabled the use of increasingly smaller crystals for structure determination, with microfocus beamlines now widely accessible. Initi...
On interrogating electron microscopy images to discover proteins in the cell [0.03%] 通过询问电子显微镜图像来发现细胞中的蛋白质
Jose Maria Carazo Jose Maria Carazo
Interrogating individual two-dimensional (2D) cryo-EM images for the presence of defined three-dimensional (3D) structures that correspond to previously known (or predicted) macromolecular complexes is very challenging, but offers attractiv...
Combining experiment and prediction to explore surface chemistry and dissolution [0.03%] 结合实验和预测来探索表面化学和溶解过程
Andrew G P Maloney Andrew G P Maloney
A crystal structure is often an integral component in the development of a new pharmaceutical product, and these structures are frequently used to understand, assess and often predict both the manufacturing and in vivo behaviour of these co...
FLEXR-MSA: electron-density map comparisons of sequence-diverse structures [0.03%] FLEXR-MSA：序列多样结构的电子密度图比较
Timothy R Stachowski,Marcus Fischer Timothy R Stachowski
Proteins with near-identical sequences often share similar static structures. Yet, comparing crystal structures is limited or even biased by what has been included or omitted in the deposited model. Information about unique dynamics is ofte...
Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties [0.03%] 大麻叶素共晶的表面分析：将晶体结构与增强性能联系起来
Eliška Zmeškalová,František Stara,Tereza Havlůjová et al. Eliška Zmeškalová et al.
Cannabigerol is a bioactive compound derived from Cannabis sativa. It displays many promising pharmaceutical and nutraceutical properties. Its use and research are complicated by its thermally unstable solid form with low solubility and nee...
Single-shot X-ray imaging of two-dimensional strain fields in colloidal crystals [0.03%] 单次X射线拍摄胶体晶体二维应变场
Jiacheng Diao,Zichen Gao,Jiadong Fan et al. Jiacheng Diao et al.
We used a soft X-ray free-electron laser and the Bragg coherent diffraction imaging method to characterize the defect structure of colloidal crystals. The single-shot X-ray pulse allowed us to reach four powder rings and measured all six re...
Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination [0.03%] 电子束诱发微晶电子衍射分子纳米晶体扭曲效应的校正方法研究
Niko Vlahakis,Arden Clauss,Jose A Rodriguez Niko Vlahakis
High-energy electrons induce sample damage and motion at the nanoscale to fundamentally limit the determination of molecular structures by electron diffraction. Using a fast event-based electron counting (EBEC) detector, we characterize bea...
Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy [0.03%] 基于量子晶体学和静电相互作用能量理解非甾体抗炎药对环氧化酶的选择性
S Pawlędzio,M Ziemniak,X Wang et al. S Pawlędzio et al.
Quantum crystallography methods have been employed to investigate complex formation between nonsteroidal anti-inflammatory drugs (NSAIDs) and cyclooxygenase (COX) enzymes, with particular focus on the COX-1 and COX-2 isoforms. This study an...
Experimental electronic structures of copper complexes with a biphenyldiimino dithioether - a model for blue copper proteins [0.03%] 双苯二亚胺二硫醚铜配合物的实验电子结构——蓝色铜蛋白模型
Marek Fronc,Martin Breza,Lukáš Bučinský et al. Marek Fronc et al.
The experimental electron density distributions in two coordination compounds - one with a central Cu(I) atom and the other with Cu(II), coordinated by the same biphenyldiimino dithioether (bite) type of ligand - have been obtained from hig...