Journal of Applied Crystallography最新文献_第3页

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-09-17

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Simulation and modelling of the detergent corona around the membrane protein MhsT based on SAXS data 基于 SAXS 数据的膜蛋白 MhsT 周围洗涤剂电晕模拟与建模

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-09-05 DOI: 10.1107/S1600576724006721

Florian De Pol, Maciej Baranowski, Caroline Neumann, Sofia Trampari, Poul Nissen, Javier Pérez

{"title":"Simulation and modelling of the detergent corona around the membrane protein MhsT based on SAXS data","authors":"Florian De Pol, Maciej Baranowski, Caroline Neumann, Sofia Trampari, Poul Nissen, Javier Pérez","doi":"10.1107/S1600576724006721","DOIUrl":"https://doi.org/10.1107/S1600576724006721","url":null,"abstract":"For membrane proteins, ab initio modelling based on a single curve of small-angle X-ray scattering (SAXS) is precluded by the presence of detergent molecules bound to the hydrophobic region of the protein. MEMPROT was developed for the modelling of protein–detergent complexes based on the SAXS curve of the complex, and on an a priori representation of the detergent corona by an elliptical semi-torus surrounding the protein. In previous studies, MEMPROT has succeeded in modelling several membrane proteins solubilized in n-dodecyl-β-maltopyranoside (DDM). However, it has never been tested on proteins solubilized in other detergents. To understand whether the geometrical shape currently parametrized in MEMPROT could be applied to a broader catalogue of protein–detergent complexes, here, MEMPROT was used to model the detergent corona around the multi-hydrophobic substrate transporter from Bacillus halodurans solubilized in four different detergents, namely DDM, n-decyl-β-maltopyranoside (DM), 4-cyclohexyl-1-butyl-β-d-maltoside (Cymal4) and decyl-maltose-neopentyl-glycol (DMNG). The study indicates a significant variation in detergent shapes, depending on the type of detergent. The modelling results suggest that the elliptical semi-torus with a circular closure is an excellent approximation for long-tailed detergents (DDM and DM) but leads to a slightly poorer agreement with the data for DMNG and Cymal4, which have a shorter hydrophobic tail, smaller than the half-width of the protein hydrophobic region. Here, for the latter, it is hypothesized that a corona with a flatter closure would be a better shape descriptor.","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":null,"pages":null},"PeriodicalIF":5.2,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142429378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-09-05

引用次数: 0

Effect of the crystallographic orientation of the surface of single-crystal Si wafers on the endotaxial growth of NiSi2 nanoplates 单晶硅片表面的晶体学取向对 NiSi2 纳米板内轴生长的影响

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-09-05 DOI: 10.1107/S1600576724007210

Thiago Paulino Schuitek, Daniel da Silva Costa, Ney Pereira Mattoso Filho, Guinther Kellermann

{"title":"Effect of the crystallographic orientation of the surface of single-crystal Si wafers on the endotaxial growth of NiSi2 nanoplates","authors":"Thiago Paulino Schuitek, Daniel da Silva Costa, Ney Pereira Mattoso Filho, Guinther Kellermann","doi":"10.1107/S1600576724007210","DOIUrl":"https://doi.org/10.1107/S1600576724007210","url":null,"abstract":"A multi-technique analysis was used to investigate how the orientation of single-crystal Si wafer surfaces affects the size, shape and orientation of NiSi2 nanocrystals grown within the wafers through the thermal diffusion of Ni atoms from a nickel-doped thin film deposited on the surface. Nickel-doped thin films were prepared on silicon wafers with three distinct crystallographic orientations, [001], [110] and [111]. Three sets of samples were then annealed at 500, 600 and 700°C for 2 h. Regardless of crystallographic orientation or annealing temperature, NiSi2 nanoplates with a nearly hexagonal shape grew close to the external surface of the wafers, aligning their larger surfaces parallel to one of the planes of the Si{111} crystallographic form. The crystallographic orientation and annealing temperature in the 500–700°C range did not significantly affect the final values of the average diameter and thickness of the nanoplates. However, significant differences were noted in the number of nanoplates formed in Si wafers with different crystallographic orientations. The results indicate that these observed differences are correlated with the number of pre-existing defects in the wafers that influence the heterogeneous nucleation process. In addition, the average size and size dispersion were determined for pores at the surface of the Si wafers formed due to the etching process used for native oxide removal.","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":null,"pages":null},"PeriodicalIF":5.2,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142429379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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X-ray-based technologies in emerging fuel cell research 基于 X 射线的新兴燃料电池研究技术

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-09-05 DOI: 10.1107/S1600576724007994

Vivian Stojanoff, Narayanasami Sukumar

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IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-09-05

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IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-08-30

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