Unveiling pressure-driven tunability of structural, electronic, mechanical and optical characteristics in CsPbBr3 based on a DFT study by Sheeza Mumtaz, M. Rizwan, M. Abaid Ullah, S.S. Ali, Z. Usman, T. Mahmood

“…Evaluated lattice parameter through structural analysis shows consistency with experimental data stated in the literature. …”
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Structural basis for molecular assembly of fucoxanthin chlorophyll a/c-binding proteins in a diatom photosystem I supercomplex by Koji Kato, Yoshiki Nakajima, Jian Xing, Minoru Kumazawa, Haruya Ogawa, Jian-Ren Shen, Kentaro Ifuku, Ryo Nagao

“…In this study, we determined the cryo-electron microscopy structure of a PSI supercomplex incorporating fucoxanthin chlorophyll a/c-binding proteins (FCPs), designated as PSI-FCPI, isolated from the diatom Thalassiosira pseudonana CCMP1335. Structural analysis of PSI-FCPI revealed five FCPI subunits associated with a PSI monomer; these subunits were identified as RedCAP, Lhcr3, Lhcq10, Lhcf10, and Lhcq8. …”
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Development of an analytical model to evaluate the effect of the ported shroud on centrifugal compressors by Carlo Cravero, Philippe Joe Leutcha, Davide Marsano

“…Using a simplified CFD model, the impact of a ported shroud on compressor performance and range extension has been investigated. Flow structure analysis identified that the primary role of the ported shroud is to modify the relative flow angle on the rotor at the highest span channel. …”
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Climate change-driven northward expansion of the mediterranean orchid Ophrys apifera from genetic and ecological perspectives by Aleksandra M. Naczk, Marcin Wilhelm, Anna Jakubska-Busse, Anna Kalinka, Magdalena Achrem, Piotr Androsiuk, Marcin Górniak, Magdalena Zarzycka, Marta Kolanowska

“…Genetic analyses using nuclear microsatellite markers and plastid DNA revealed low overall population variability in Poland and neighbouring countries (the Czech Republic, Germany), probably caused by the founder effect and bottleneck, as well as the autogamous reproductive strategy of this species. STRUCTURE analysis identified three genetic clusters, with western populations forming a distinct, homogeneous cluster, while southern populations show a greater degree of genetic mixing. …”
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Ultrahigh concentration exfoliation and aqueous dispersion of few-layer graphene by excluded volume effect by Zhiyuan Xiong, Luyan Shen, Jin Long, Xiao Li, Ke Zhou, Gyeong Min Choi, Kangtai Ou, GuiYan Yang, Weichun Ma, Heon Sang Lee, Youyi Sun, Dan Li

“….% yield of few-layer graphene, high concentration exceeding 100 mg mL-1, long-term stability over ~550 days, and large-scale wet processability. Structural analysis and theoretical modeling suggested that the 2D morphology of the resultant graphene nanosheets facilitates inter-sheet repulsive excluded volume interactions, leading to a fractal jammed network structure composed of nanosheets and tactoids to prevent their agglomeration. …”
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A computational probe into the physicochemical properties of cyclodextrin-based deep eutectic solvents for extraction processes by Parisa Jahanbakhsh-Bonab, Zahra Khoshnazar, Jaber Jahanbin Sardroodi, Ehsan Heidaryan

“…In this study, molecular dynamics simulations were utilized to examine the physicochemical and structural characteristics of novel DESs—specifically DES1, DES2, and DES3—comprising methyl-β-cyclodextrin (MBCD) mixed with formic acid (FA), propionic acid (PA), and acetic acid (AA), respectively, in a 1:3 molar ratio. Structural analysis, as revealed by the combined distribution function and radial distribution function, indicated that the dominant interactions within the DESs occur between the hydroxyl hydrogen of the acids and the hydroxyl oxygen of MBCD, as well as between the hydroxyl hydrogen of MBCD and the carbonyl oxygen of the acids. …”
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Genome-Wide Characterization and Expression Profiles of the Superoxide Dismutase Gene Family in Gossypium by Jingbo Zhang, Bo Li, Yang Yang, Wenran Hu, Fangyuan Chen, Lixia Xie, Ling Fan

“…Gene structure and protein structure analysis showed that SOD genes have conserved exon/intron arrangement and motif composition. …”
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Density Functional Theory Study on the Effect of Isomorphic Substitution of FAU Molecular Sieve on N2 Adsorption Performance by Mengya Wang, Rong Cao, Jiezhen Xia, Luchao Zhao, Yong Li, Qimi Ciren, Dongye Zhao, Shifeng Wang, Chun Du, Qi Wu

“…In this paper, we explore the isomorphic substitution effect on the adsorption properties of N2 in FAU molecular sieves using the computational approaches based on the density functional theory (DFT). The structural analysis and adsorption energy calculated for the Zn, Ca, and Ga substitutions at the Si/Al skeleton sites in the β-cage structure, the basic unit of FAU molecular sieves, prove that the isomorphic substitution effect can strengthen the adsorption of N2. …”
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Assessment of the Mechanical Properties of Low-Cost Seismic Isolators Exposed to Environmental Conditions by Erika D. Lemos-Micolta, Isabel C. Velasco-Cuervo, Ingrid E. Madera-Sierra, Manuel Alejandro Rojas-Manzano, Orlando Cundumí, Edwin Patino, Manuel Salmeron-Becerra, Marina Lopez-Arias, Shirley J. Dyke, Mirian Velay-Lizancos

“…This leads to increased drift, base shear, and demand-to-capacity ratios (DCRs) in the structural analysis. The findings emphasize the need for experimental testing of isolators to establish modification factors that accurately reflect the effects of environmental conditions on structures throughout their service life.…”
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Optimization of Analog Circuit Parameters Using Bidirectional Long Short-Term Memory Coupled with an Enhanced Whale Optimization Algorithm by Hengfei Yang, Shiyuan Yang, Debiao Meng, Chenghao Hu, Chaosheng Wu, Bo Yang, Peng Nie, Yuan Si, Xiaoyan Su

“…The development of surrogate models based on limited data is crucial in enhancing the speed of structural analysis and design optimization. Surrogate models are highly effective in alleviating the challenges between design variables and performance evaluation. …”
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One-Pot Bottom-Up Synthesis of SiO₂ Quantum Dots and Reduced Graphene Oxide (rGO) Nanocomposite as Anode Materials in Lithium-Ion Batteries by Sanjaya Brahma, Cheung-Yi Wang, Yi-Hsuan Huang, Wen-Feng Lin, Jow-Lay Huang

“…Furthermore, at a high current rate of 1.02 Ag⁻¹, the battery was able to display an apparent rate capability (214.47 mAhg⁻¹), indicating the high chemical and mechanical stability of the composite at a high current rate. A structural analysis revealed clear distinct diffraction peaks of SiO₂ and high-resolution transmission electron microscopy images showed discrete atomic planes, thereby confirming the growth of crystalline SiO₂ QDs within the layers of rGO.…”
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Parametric Rule-Based Intelligent System (PRISM) for Design and Analysis of High-Strength Separable Microneedles by Sanghwi Ju, Seung-hyun Im, Kyungsun Seo, Junhyeok Lee, Seokjae Kim, Tongil Park, Taeksu Lee, Byungjeon Kang, Jayoung Kim, Ryong Sung, Jong-Oh Park, Doyeon Bang

“…The PRISM platform integrates parametric 3D modeling, geometry-based structural analysis, and high-resolution micro-3D printing for the creation of high-strength separable microneedles. …”
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The C-terminal end of PLIN1 displays structural disorder by Edgar D. Páez-Pérez, Miriam Livier Llamas-García, Gabriela M. Montero-Morán, Samuel Lara-González

“…Our findings suggest that mPLIN1C behaves as an intrinsically disordered region (IDR), exhibiting context-dependent properties of the coil-like or pre-molten globule type. Structural analysis reveals a predominance of disordered secondary structure, with circular dichroism spectroscopy indicating a high coil content. …”
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Comprehensive analysis of Brassica napus Glycosyl hydrolase family 1 genes and functional analysis of BnaBGLU27.C08 in clubroot resistance by Yiji Shi, Xiang Liu, Shunjun Bao, Ye Li, Yuqing Shi, Chen Liang, Hongyu Sha, Zihao Yu, Qing Su, Xiyu Zhang, Xiaoyan Li, Weinan Sun, Chengyu Yu, Keqi Li, Zhen Huang

“…Gene duplication analysis revealed that the expansion of the BnaBGLU family primarily resulted from segmental duplications. Structural analysis revealed high conservation within subfamilies, while promoter cis-element profiling and transcriptional studies under phytohormone treatments and abiotic stresses demonstrated BnaBGLUs respond to diverse environmental stimuli. …”
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Structure and Physics Mechanical Properties of Multiperiod Vacuum-arc Coatings on the Basis of Two-layer System TiNx/ZrNx by O.V. Sobol', A.A. Andreev, T.V. Bochulia, V.A. Stolbovoy, V.F. Gorban, A.V. Yanchev, A.A. Meylekhov

“…By methods of structural analysis (a precise X-ray diffraction method and raster electron microscopy) in conjunction with tests on physical and mechanical characteristics (hardness, elastic modulus, friction force and friction coefficient) comprehensive studies have been conducted. …”
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Enhanced Tribological Properties of Ethylene Glycol-Based Lubricants by Nitrogen–Phosphorus Co-Doped Carbon Dots by Haiyang Wang, Zhongyi He, Kai Qiu, Liping Xiong, Lili Li, Jian Liu

“…Furthermore, increasing the concentration of eNP-CDs further reduced the friction coefficient of the base lubricant, and at its optimal concentration, it outperformed 6NP-CDs in terms of wear resistance and friction reduction. Molecular structure analysis indicates that the concentration of nitrogen and phosphorus atoms, as well as the chain length of functional groups, significantly influence friction characteristics. …”
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Leveraging core enzyme structures for microbiota targeted functional regulation: Urease as an example by Shengguo Zhao, Huiyue Zhong, Yue He, Xiaojiao Li, Li Zhu, Zhanbo Xiong, Xiaoyin Zhang, Nan Zheng, Diego P. Morgavi, Jiaqi Wang

“…Through metagenomic analysis, we identified the core urease gene and its corresponding microbial genome (MAG257) affiliated with the unclassified Succinivibrionaceae, and reconstructed its complete gene cluster. Structural analysis of the urease catalytic subunit (UreC) via cryo‐electron microscopy (cryo‐EM) revealed detailed features of its active site, guiding molecular docking studies that identified epiberberine, a natural compound with potent urease inhibitory activity. …”
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Digital-Twin of the National Collegiate Athletic Association Specified Energy Rebound Testing Device: Kinetic-Energy Absorption by a Basketball Rim and Backboard Modeled with ANSYS... by Daniel Winarski, Kip P. Nygren, Tyson Winarski

“…This second model was then imported into the Transient Structural Analysis system and first used to confirm the hypothesis that the ERTD did indeed transfer kinetic energy from its drop-mass to the basketball rim and backboard. …”
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Substitution of animal fat with canola oil-based bigels in meat matrices: a functional and healthier approach by Zuemy Hernández-Nolasco, Mariana Inés Acateca-Hernández, Juan Valente Hidalgo-Contreras, María Antonieta Ríos Corripio, Marlon Rojas-López, Natalia Real-Luna, Aleida Selene Hernández Cázares

“…Texture profile analysis revealed reduced hardness, chewiness, and gumminess in both treatments, while color analysis indicated minimal impact. Structural analysis confirmed protein and lipid stability. …”
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One−Step Synthesis Strategy for a Platinum−Based Alloy Catalyst Designed via Crystal−Structure Prediction by Dengjie Yan, Lingxin Kong, Baoqiang Xu, Bin Yang

“…The reaction path for the oxygen reduction process was determined. Electronic−structure analysis revealed the interaction mechanism between the oxygen intermediate and the platinum atom on the catalyst surface. …”
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