IUCrJ最新文献

{"title":"Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination","authors":"Niko Vlahakis ,&nbsp;Arden Clauss ,&nbsp;Jose A. Rodriguez","doi":"10.1107/S2052252524012132","DOIUrl":"10.1107/S2052252524012132","url":null,"abstract":"<div><div>Here we identify and characterize the warping of molecular crystal lattices induced by electron beam exposure during microcrystal electron diffraction (MicroED/3DED) data collection. We find changes to consensus crystal lattice orientation that are often dramatic, and appear ubiquitous in small organic molecule crystals. This evidence highlights the relevance of crystal bending or warping as a consequence of radiation-induced damage on molecular specimens, and points to it as a fundamental source of error in MicroED/3DED data collection and structure determination.</div></div><div><div>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 beam-induced, dynamic, molecular crystal lattice reorientations (BIRs). These changes are sufficiently large to bring reciprocal lattice points entirely in or out of intersection with the sphere of reflection, occur as early events in the decay of diffracted signal due to radiolytic damage, and coincide with beam-induced migrations of crystal bend contours within the same fluence regime and at the same illuminated location on a crystal. These effects are observed in crystals of biotin, a series of amino acid metal chelates, and a six-residue peptide, suggesting that incident electrons inevitably warp molecular lattices. The precise orientation changes experienced by a given microcrystal are unpredictable but are measurable by indexing individual diffraction patterns during beam-induced decay. Reorientations can often tilt a crystal lattice several degrees away from its initial position before irradiation, and for an especially beam-sensitive Zn(II)-me­thio­nine chelate, are associated with dramatic crystal quakes prior to 1 e⁻ Å⁻² electron beam fluence accumulates. Since BIR coincides with the early stages of beam-induced damage, it echoes the beam-induced motion observed in single-particle cryoEM. As with motion correction for cryoEM imaging experiments, accounting for BIR-induced errors during data processing could improve the accuracy of MicroED data.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 2","pages":"Pages 223-238"},"PeriodicalIF":2.9,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143382365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"SCXRD, CSP-NMRX and microED in the quest for three elusive polymorphs of meloxicam","authors":"Agata Jeziorna ,&nbsp;Maura Malinska ,&nbsp;Isaac Sugden ,&nbsp;Piotr Paluch ,&nbsp;Rafał Dolot ,&nbsp;Marta K. Dudek","doi":"10.1107/S2052252524011898","DOIUrl":"10.1107/S2052252524011898","url":null,"abstract":"<div><div>The case of three elusive polymorphs of meloxicam highlights the strengths and weaknesses of single-crystal X-ray diffraction, crystal structure prediction–NMR crystallography and microcrystal electron diffraction as crystal structure determination approaches. Each method was successful in solving only one of the polymorphs, showcasing the advantage of using the whole arsenal of available techniques.</div></div><div><div>Crystal structure determination is a crucial aspect of almost every branch of the chemical sciences, bringing us closer to understanding crystallization, polymorphism, phase transitions, and the relationship between a structure and its physicochemical and functional properties. Unfortunately, many molecules notoriously crystallize as microcrystalline powders, providing a significant challenge in establishing their structures. In this work, we describe the crystal structure determination of three elusive polymorphs of the anti-inflammatory drug meloxicam (MLX) using three approaches, of which only one was successful for each crystal phase. Single-crystal X-ray diffraction allowed us to solve the structure of MLX-III, MLX-II was solved by a combination of NMR crystallography and crystal structure prediction (CSP) calculations, and MLX-V (<em>Z</em>′ = 4 polymorph) was only solvable using electron diffraction. By considering the factors influencing the choice of crystal structure determination method, we showcase their strengths and weaknesses as an indication of their applicability. Additionally, we discuss the issues encountered in the CSP search for MLX-II and MLX-III (both <em>Z</em>′ = 2 polymorphs) which turned out to be computationally elusive, in addition to being so in crystallization experiments. This indicates a complex crystal energy landscape for MLX and hints at more general challenges in CSP.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 1","pages":"Pages 109-122"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707701/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142921321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Connecting lattice and molecular vibrations to organic crystal properties","authors":"Luca Catalano","doi":"10.1107/S2052252524012326","DOIUrl":"10.1107/S2052252524012326","url":null,"abstract":"<div><div>Understanding dynamic processes in molecular crystals is becoming crucial for the development of next-generation smart crystalline materials. In this context, Zwolenik &amp; Makal [(2025). <em>IUCrJ</em>, <strong>12</strong>, 23–35] shed light on the complex dynamics–structure–properties relation of a pyrene derivative by correlating molecular and lattice anharmonic vibrations with the unusual thermal expansion of the compound.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 1","pages":"Pages 6-7"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707695/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142931630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene","authors":"A. Zwolenik ,&nbsp;A. Makal","doi":"10.1107/S2052252524010443","DOIUrl":"10.1107/S2052252524010443","url":null,"abstract":"<div><div>A recently discovered β polymorph of 1,3-diacetylpyrene has turned out to be a prominent negative thermal expansion material. Its unique properties can be linked to anharmonic oscillations in the crystal structure. The onset and development of anharmonic behavior have been successfully tracked over a wide temperature range by single-crystal X-ray diffraction experiments. Sufficient diffraction data quality combined with modern quantum crystallography tools allowed a thorough analysis of the elusive anharmonic effects for a moderate-scattering purely organic compound.</div></div><div><div>A recently discovered β polymorph of 1,3-diacetylpyrene has turned out to be a prominent negative thermal expansion material, with a linear thermal expansion coefficient of −199 (6) MK⁻¹ at room temperature. Its unique properties can be linked to anharmonic oscillations in the crystal structure that can be attributed to several weak C—H⋯O interactions. The onset and development of anharmonic effects have been successfully tracked over a wide (90–390 K) temperature range using single-crystal X-ray diffraction. Experimental data of sufficient quality combined with Hirshfeld atom refinement of the crystal structures enabled a quantitative analysis of elusive anharmonic effects within the Gram–Charlier formalism. This example highlights that quantum crystallography tools can and should be applied in structural analysis even for data collected at high temperatures as well as of standard (∼0.8 Å) resolution.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 1","pages":"Pages 23-35"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707697/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142675861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advancing dynamic quantum crystallography: enhanced models for accurate structures and thermodynamic properties","authors":"Helena Butkiewicz ,&nbsp;Michał Chodkiewicz ,&nbsp;Anders Ø. Madsen ,&nbsp;Anna A. Hoser","doi":"10.1107/S2052252524011862","DOIUrl":"10.1107/S2052252524011862","url":null,"abstract":"<div><div>By implementing the aspherical atom model to normal mode refinement, we obtained accurate structures [including H-atom positions and anisotropic displacement parameters (ADPs)] and heat capacity from single-crystal X-ray diffraction data.</div></div><div><div>X-ray diffraction (XRD) has evolved significantly since its inception, becoming a crucial tool for material structure characterization. Advancements in theory, experimental techniques, diffractometers and detection technology have led to the acquisition of highly accurate diffraction patterns, surpassing previous expectations. Extracting com­prehensive information from these patterns necessitates different models due to the influence of both electron density and thermal motion on diffracted beam intensity. While electron-density modelling has seen con­siderable progress [<em>e.g.</em> the Hansen–Coppens multipole model and Hirshfeld Atom Refinement (HAR)], the treatment of thermal motion has remained largely unchanged. We have developed a novel method that combines the strengths of the advanced charge-density models [Aspherical Atom Models (AAMs), such as HAR or the Transferable Aspherical Atom Model (TAAM)] and the thermal motion model (normal modes refinement, NoMoRe). We denote this approach AAM_NoMoRe, wherein instead of refining routine anisotropic displacement parameters (ADPs) against single-crystal X-ray diffraction data, we refine the frequencies obtained from periodic density functional theory (DFT) calculations. In this work, we demonstrate the effectiveness of this model by presenting its application to model com­pounds, such as alanine, xylitol, naphthalene and glycine polymorphs, highlighting the influence of our method on the H-atom positions and shape of their ADPs, which are com­parable with neutron data. We observe a significant decrease in the similarity index for H-atom ADPs after AAM_NoMoRe in com­parison to only AAM, aligning more closely with neutron data. Due to the use of aspherical form factors (AAM), our approach demonstrates better fitting performance, as indicated by consistently lower <em>wR</em>2 values com­pared to the Independent Atom Model (IAM) refinement and a significant decrease com­pared to the traditional NoMoRe model. Furthermore, we present the estimation of a key thermodynamic property, namely, heat capacity, and demonstrate its alignment with experimental calorimetric data.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 1","pages":"Pages 123-136"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707699/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142921315","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural transformations and stability of benzo[a]pyrene under high pressure","authors":"Wenju Zhou ,&nbsp;Andrey Aslandukov ,&nbsp;Anastasiia Minchenkova ,&nbsp;Michael Hanfland ,&nbsp;Leonid Dubrovinsky ,&nbsp;Natalia Dubrovinskaia","doi":"10.1107/S2052252524010455","DOIUrl":"10.1107/S2052252524010455","url":null,"abstract":"<div><div>This study explores the high-pressure behavior of benzo[<em>a</em>]pyrene, revealing two previously unknown polymorphs at 4.8 and 7.1 GPa. These findings enhance our understanding of the structural dynamics and stability of polycyclic aromatic hydrocarbons under extreme conditions.</div></div><div><div>Benzo[<em>a</em>]pyrene (B<em>a</em>P), C₂₀H₁₂, is a representative of polycyclic aromatic hydro­carbons (PAHs), which are ubiquitous in nature and the universe, where they are subjected to extreme conditions. This paper reports the results of investigations of the high-pressure behavior of B<em>a</em>P up to 28 GPa using <em>in situ</em> synchrotron single-crystal X-ray diffraction. We identified two previously unknown polymorphs, B<em>a</em>P-II (<em>P</em>2₁/<em>c</em>) at 4.8 GPa and B<em>a</em>P-III (<em>P</em>1) at 7.1 GPa. The structural transformation from B<em>a</em>P-I (<em>P</em>2₁/<em>c</em>) to B<em>a</em>P-II (<em>P</em>2₁/<em>c</em>) manifests as an abrupt change in the intermolecular angle and the unit-cell parameters <em>a</em> and <em>b</em>, whereas the transformation from B<em>a</em>P-II (<em>P</em>2₁/<em>c</em>) to B<em>a</em>P-III (<em>P</em>1) is characterized by a decrease in symmetry. According to density functional theory calculations, B<em>a</em>P-III is the most stable phase above 3.5 GPa. These studies advance our understanding of the structural dynamics and stability of PAHs under high pressure.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 1","pages":"Pages 16-22"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707690/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142621042","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure of an ex vivoDrosophila TOM complex determined by single-particle cryoEM","authors":"Agalya Periasamy ,&nbsp;Pamela Ornelas ,&nbsp;Thomas Bausewein ,&nbsp;Naomi Mitchell ,&nbsp;Jiamin Zhao ,&nbsp;Leonie M. Quinn ,&nbsp;Werner Kuehlbrandt ,&nbsp;Jacqueline M. Gulbis","doi":"10.1107/S2052252524011011","DOIUrl":"10.1107/S2052252524011011","url":null,"abstract":"<div><div>A 3.3 Å resolution map and structural model of the TOM complex from <em>Drosophila melanogaster</em> were determined by single-particle cryoEM. The complex was extracted from native membranes of the fly retina following targeted expression of a Tom40 transgene.</div></div><div><div>Most mitochondrial precursor proteins are encoded in the cell nucleus and synthesized on cytoplasmic ribosomes. The translocase of the outer membrane (TOM) is the main protein-import pore of mitochondria, recognizing nascent precursors of mitochondrially targeted proteins and transferring them across the outer membrane. A 3.3 Å resolution map and molecular model of a TOM complex from <em>Drosophila melanogaster</em>, obtained by single-particle electron cryomicroscopy, is presented. As the first reported structure of a transgenic protein expressed and purified <em>ex vivo</em> from <em>Drosophila</em>, the method provides impetus for parallel structural and genetic analyses of protein complexes linked to human pathology. The core TOM complex extracted from native membranes of the <em>D. melanogaster</em> retina contains transgenic Tom40 co-assembled with four endogenous TOM components: Tom22, Tom5, Tom6 and Tom7. The <em>Drosophila</em> TOM structure presented here shows that the human and <em>Drosophila</em> TOM are very similar, with small conformational changes at two subunit interfaces attributable to variation in lipid-binding residues. The new structure provides an opportunity to pinpoint general features that differentiate the TOM structures of higher and unicellular eukaryotes. While the quaternary fold of the assembly is retained, local nuances of structural elements implicated in precursor import are indicative of subtle evolutionary change.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 1","pages":"Pages 49-61"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707698/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142687078","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploiting fourth-generation synchrotron radiation for enzyme and photoreceptor characterization","authors":"Tek Narsingh Malla ,&nbsp;Srinivasan Muniyappan ,&nbsp;David Menendez ,&nbsp;Favour Ogukwe ,&nbsp;Aleksandar N. Dale ,&nbsp;Joseph D. Clayton ,&nbsp;Dominique D. Weatherall ,&nbsp;Prabin Karki ,&nbsp;Shishir Dangi ,&nbsp;Victoria Mandella ,&nbsp;A. Andrew Pacheco ,&nbsp;Emina A. Stojković ,&nbsp;Samuel L. Rose ,&nbsp;Julien Orlans ,&nbsp;Shibom Basu ,&nbsp;Daniele de Sanctis ,&nbsp;Marius Schmidt","doi":"10.1107/S2052252524010868","DOIUrl":"10.1107/S2052252524010868","url":null,"abstract":"<div><div>(Time-resolved) macromolecular crystallography at the new ID29 beamline at the ESRF is described.</div></div><div><div>The upgrade of the European Synchrotron Radiation Facility (ESRF) in Grenoble, France to an Extremely Brilliant Source (EBS) is expected to enable time-resolved synchrotron serial crystallography (SSX) experiments with sub-millisecond time resolution. ID29 is a new beamline dedicated to SSX experiments at ESRF–EBS. Here, we report experiments emerging from the initial phase of user operation at ID29. We first used microcrystals of photoactive yellow protein as a model system to exploit the potential of microsecond pulses for SSX. Subsequently, we investigated microcrystals of cytochrome <em>c</em> nitrite reductase (ccNiR) with microsecond X-ray pulses. CcNiR is a decaheme protein that is ideal for the investigation of radiation damage at the various heme-iron sites. Finally, we performed a proof-of-concept subsecond time-resolved SSX experiment by photoactivating microcrystals of a myxobacterial phytochrome.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 1","pages":"Pages 36-48"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707700/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142687074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"IUCrJ on passing its tenth anniversary and entering its second decade: progress, current status and prospects for the future.","authors":"Andrew J Allen","doi":"10.1107/S205225252401217X","DOIUrl":"10.1107/S205225252401217X","url":null,"abstract":"<p><p>This Editorial briefly celebrates the history and progress of IUCrJ in its first decade, reviews its present status, and suggests some pointers for the future.</p>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":" ","pages":"1-3"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707694/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142864190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Real-time data processing for serial crystallography experiments","authors":"Thomas White ,&nbsp;Tim Schoof ,&nbsp;Sergey Yakubov ,&nbsp;Aleksandra Tolstikova ,&nbsp;Philipp Middendorf ,&nbsp;Mikhail Karnevskiy ,&nbsp;Valerio Mariani ,&nbsp;Alessandra Henkel ,&nbsp;Bjarne Klopprogge ,&nbsp;Juergen Hannappel ,&nbsp;Dominik Oberthuer ,&nbsp;Ivan De Gennaro Aquino ,&nbsp;Dmitry Egorov ,&nbsp;Anna Munke ,&nbsp;Janina Sprenger ,&nbsp;Guillaume Pompidor ,&nbsp;Helena Taberman ,&nbsp;Andrey Gruzinov ,&nbsp;Jan Meyer ,&nbsp;Johanna Hakanpää ,&nbsp;Martin Gasthuber","doi":"10.1107/S2052252524011837","DOIUrl":"10.1107/S2052252524011837","url":null,"abstract":"<div><div>We report the use of streaming data interfaces to process data in real time from serial crystallography experiments, with a latency of less than 1 s per frame and without requiring intermediate data storage on disk.</div></div><div><div>We report the use of streaming data interfaces to perform fully online data processing for serial crystallography experiments, without storing intermediate data on disk. The system produces Bragg reflection intensity measurements suitable for scaling and merging, with a latency of less than 1 s per frame. Our system uses the <em>CrystFEL</em> software in combination with the ASAP::O data framework. In a series of user experiments at PETRA III, frames from a 16 megapixel Dectris EIGER2 X detector were searched for peaks, indexed and integrated at the maximum full-frame readout speed of 133 frames per second. The computational resources required depend on various factors, most significantly the fraction of non-blank frames (‘hits’). The average single-thread processing time per frame was 242 ms for blank frames and 455 ms for hits, meaning that a single 96-core computing node was sufficient to keep up with the data, with ample headroom for unexpected throughput reductions. Further significant improvements are expected, for example by binning pixel intensities together to reduce the pixel count. We discuss the implications of real-time data processing on the ‘data deluge’ problem from recent and future photon-science experiments, in particular on calibration requirements, computing access patterns and the need for the preservation of raw data.</div></div>","PeriodicalId":14775,"journal":{"name":"IUCrJ","volume":"12 1","pages":"Pages 97-108"},"PeriodicalIF":2.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11707691/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142877353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}