Crystals最新文献_第2页

X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Cell-Cycle Protein GpsB. 金黄色葡萄球菌细胞周期蛋白GpsB n端结构域的x射线晶体结构

IF 2.9 4区材料科学

Crystals Pub Date : 2025-10-01 Epub Date: 2025-09-30 DOI: 10.3390/cryst15100867

Nathan I Nicely, Thomas M Bartlett, Richard W Baker

引用次数: 0

Operando NRVS on LiFePO₄ Battery with ⁵⁷Fe Phonon DOS. 使用57Fe声子DOS对LiFePO4电池进行NRVS操作。

IF 2.9 4区材料科学

Crystals Pub Date : 2025-10-01 Epub Date: 2025-09-27 DOI: 10.3390/cryst15100841

Alexey Rulev, Nobumoto Nagasawa, Haobo Li, Hongxin Wang, Stephen P Cramer, Qianli Chen, Yoshitaka Yoda, Artur Braun

{"title":"Operando NRVS on LiFePO4 Battery with 57Fe Phonon DOS.","authors":"Alexey Rulev, Nobumoto Nagasawa, Haobo Li, Hongxin Wang, Stephen P Cramer, Qianli Chen, Yoshitaka Yoda, Artur Braun","doi":"10.3390/cryst15100841","DOIUrl":"10.3390/cryst15100841","url":null,"abstract":"The vibration properties of materials play a role in their conduction of electric charges. are Ionic conductors such as electrodes and solid electrolytes are also relevant in this respect. The vibration properties are typically assessed with infrared and Raman spectroscopy, and inelastic neutron scattering, which all allow for the derivation of the phonon density of states (PDOS) in part of a full portion of the Brioullin zone. Nuclear resonant vibration spectroscopy (NRVS) is a novel method that produces the element-specific PDOS from Mössbauer-active isotopes in a compound. We employed NRVS operando on a pouch cell battery containing a Li57FePO4 electrode, and thus could derive the PDOS of the 57Fe in the electrode during charging and discharging. The spectra reveal reversible vibrational changes associated with the two-phase conversion between LiFePO4 and FePO4, as well as signatures of metastable intermediate states. We demonstrate how the NRVS data can be used to tune the atomistic simulations to accurately reconstruct the full vibration structures of the battery materials in operando conditions. Unlike optical techniques, NRVS provides bulk-sensitive, element-specific access to the full phonon spectrum under realistic operando conditions. These results establish NRVS as a powerful method to probe lattice dynamics in working batteries and to advance the understanding of ion transport and phase transformation mechanisms in electrode materials.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 10","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12716864/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145803192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Light-Induced Heating of Microsized Nematic Volumes 微尺寸向列体的光致加热

4区材料科学

Crystals Pub Date : 2025-09-19 DOI: 10.3390/cryst15090822

D. P. Shcherbinin, Denis A. Glukharev, Semyon Rudyi, Anastasiia Piven, Tetiana Orlova, Izabela Śliwa, А. В. Захаров

{"title":"Light-Induced Heating of Microsized Nematic Volumes","authors":"D. P. Shcherbinin, Denis A. Glukharev, Semyon Rudyi, Anastasiia Piven, Tetiana Orlova, Izabela Śliwa, А. В. Захаров","doi":"10.3390/cryst15090822","DOIUrl":"https://doi.org/10.3390/cryst15090822","url":null,"abstract":"The experimental study has been carried out using advanced computer vision methods in order to visualize the moment of excitation and further propagation of a non stationary isotropic domain in a hybrid aligned nematic (HAN) microsized volume under the effect of a laser beam focused on a bounding liquid crystal surface. It has been shown that, when the laser power exceeds a certain threshold value, in bulk of the HAN microvolume, an isotropic circular domain is formed. We also observed a structure of alternating concentric rings around the isotropic circular region, which increases with distance from the center of the isotropic domain. The formation of a sequence of rings in a polarizing microscopic image indicates the formation of a complex topology of the director field in the HAN cell under study. The following evolution of the texture can be represented by two modes. Firstly, the “fast” heating mode, which is responsible for the formation and explosive expansion of an isotropic zone in bulk of the HAN microvolume with characteristic time τ1 due to a laser spot heating on the upper indium tin oxide (ITO) layer. Secondly, the “slow” heating mode, when an isotropic zone and concentric rings slowly expand with characteristic time τ2 mainly due to the finite thermoconductivity of ITO layer. When the laser power significantly exceeds the threshold value, damped oscillations of the isotropic domain are observed. We also introduced the metrics that allows quantitatively estimate the behavior of texture observed. The results obtained form an experimental basis for further investigation of thermomechanical force appearing in the LC system with coupled gradients of temperature and director fields.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 9","pages":"822-822"},"PeriodicalIF":0.0,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147333448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Interfacial Engineering of Hydrophobic Montmorillonite for High-Energy-Capability Polypropylene Nanocomposite Dielectrics 高分子聚丙烯纳米复合介质中疏水蒙脱土的界面工程

4区材料科学

Crystals Pub Date : 2025-08-31 DOI: 10.3390/cryst15090786

Shiheng Li, Guangsen Zheng, Chuanbao Cao, Chaoqiong Zhu, Baojing Zhang, Ziming Cai, Peizhong Feng

{"title":"Interfacial Engineering of Hydrophobic Montmorillonite for High-Energy-Capability Polypropylene Nanocomposite Dielectrics","authors":"Shiheng Li, Guangsen Zheng, Chuanbao Cao, Chaoqiong Zhu, Baojing Zhang, Ziming Cai, Peizhong Feng","doi":"10.3390/cryst15090786","DOIUrl":"https://doi.org/10.3390/cryst15090786","url":null,"abstract":"Polypropylene (PP) dielectric capacitors are crucial for electronics and electric power systems due to their high power density. However, their relatively low energy density limits their practical application in energy storage devices, presenting a long-standing challenge. Montmorillonite (MMT), a natural phyllosilicate mineral abundantly found on earth, features a two-dimensional nanosheet structure and excellent insulating properties. MMT nanosheets have shown promise in enhancing the breakdown strength and energy storage capability of PP dielectric, but compatibility issues with the PP matrix remain a challenge. In this study, we propose a novel surface modification strategy in which polystyrene (PS)-capped MMT (PCM) nanosheets are synthesized through a polymerization–dissolution process. The modified PCM nanosheets demonstrate improved compatibility and are well dispersed within the PP matrix. Optimal loading of the PCM nanosheets effectively dissipate charge energy and hinder the growth of electric trees in the PP matrix. As a result, the PP nanocomposite with 0.2 wt% PCM nanosheets exhibits an enhanced breakdown strength of 619 MV m−1 and a discharged energy density of 4.23 J cm−3, with an energy storage efficiency exceeding 90%. These findings provide a promising strategy for the development of high-energy-density dielectric capacitors in an economical manner.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 9","pages":"786-786"},"PeriodicalIF":0.0,"publicationDate":"2025-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2073-4352/15/9/786/pdf?version=1756794315","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147888788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Thienyl-Based Amides of M2 and Neuraminidase Inhibitors: Synthesis, Structural Characterization, and In Vitro Antiviral Activity Against Influenza a Viruses 基于噻吩基的M2和神经氨酸酶抑制剂酰胺：合成、结构表征和抗甲型流感病毒的体外抗病毒活性

4区材料科学

Crystals Pub Date : 2025-08-29 DOI: 10.3390/cryst15090772

Maya Chochkova, Boyka Stoykova, Magdalena Angelova, Hristina Sbirkova-Dimitrova, Rusi Rusew, Yuhuan Li, Аndrey Popatanasov, Nejc Petek, Martin Štícha, Boris Shivachev

{"title":"Thienyl-Based Amides of M2 and Neuraminidase Inhibitors: Synthesis, Structural Characterization, and In Vitro Antiviral Activity Against Influenza a Viruses","authors":"Maya Chochkova, Boyka Stoykova, Magdalena Angelova, Hristina Sbirkova-Dimitrova, Rusi Rusew, Yuhuan Li, Аndrey Popatanasov, Nejc Petek, Martin Štícha, Boris Shivachev","doi":"10.3390/cryst15090772","DOIUrl":"https://doi.org/10.3390/cryst15090772","url":null,"abstract":"Influenza A viruses that cause pandemics, as well as other harmful pathogens (e.g., SARS-CoV-2 variants), are known as the ‘silent bioterrorists’ of the 21st century. Due to high mutability, anti-influenza chemotherapeutic treatment is a vital defense strategy to combat both seasonal and pandemic influenza strains, especially when vaccines fail. Consequently, the development of novel therapies to combat this serious threat is of great concern. Hence, in this study, 3-(2-thienyl) acrylic acid (TA) was converted into amides of anti-influenza drugs (aminoadamantanes and oseltamivir) through TBTU-mediated coupling. The crystal structures of the thienyl-based amide hybrids (TA-Am (1), TA-Rim (2), TA-Os-OEt (3), and TA-OsC (4)) were also investigated using single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), and differential scanning calorimetry (DSC). Moreover, the antiviral activities of the hybrids against influenza virus A/Fort Monmouth/1/1947 (H1N1), clinically isolated influenza strain A/Wuhan/359/1995 (H3N2), and oseltamivir-resistant A/Jinnan/15/2009 (H1N1) were evaluated in vitro. Amongst the tested thienyl-based amides, bisamide 8 (Boc-Os-Hda-TA) exhibited the most potent activity against influenza virus A (A/Wuhan/359/1995) with an IC50 value of 18.52 μg/mL and a selectivity index (SI) = 13.0.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 9","pages":"772-772"},"PeriodicalIF":0.0,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2073-4352/15/9/772/pdf?version=1756477155","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147894850","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Co-Amorphous Andrographolide–Lysine with Unexpectedly Enhanced Solubility 具有意想不到的溶解度增强的共无定形穿心莲内酯赖氨酸

4区材料科学

Crystals Pub Date : 2025-08-25 DOI: 10.3390/cryst15090752

Haifeng Luo, Yuchen Zheng, Shizhao Ren, Wangchuan Xiao, Rongrong Xue, Wei Han, Fenghua Chen

{"title":"Co-Amorphous Andrographolide–Lysine with Unexpectedly Enhanced Solubility","authors":"Haifeng Luo, Yuchen Zheng, Shizhao Ren, Wangchuan Xiao, Rongrong Xue, Wei Han, Fenghua Chen","doi":"10.3390/cryst15090752","DOIUrl":"https://doi.org/10.3390/cryst15090752","url":null,"abstract":"Andrographolide (ADG) is a typical poorly water-soluble drug, and a co-amorphous strategy was used here to improve its aqueous solubility. Co-amorphous systems of ADG and amino acids with a 1:1 molar ratio were screened via the neat ball milling method. L-lysine (Lys) and L-tryptophan (Trp) can be used as co-formers with ADG, forming a co-amorphous phase, which was confirmed by powder X-ray diffraction, IR and Raman spectroscopy. ADG-Trp showed poor solubility at 37 °C, which was close to that of raw ADG (0.08 mg·mL−1). ADG-Lys showed unexpectedly enhanced solubility, at 0.5 mg·mL−1 in the media of water and PBS (pH 7.4) and 0.3 mg·mL−1 in the medium of HCl buffer (pH 1.2) at 37 °C. ADG-Lys showed good storage stability for 5 months, but its thermal stability was poor and it could recrystallize at 100 °C. Compared with ADG-Trp, ADG-Lys has weaker hydrogen bonding interactions and stronger hydrophobic interactions related to ADG molecules, which might cause the unusual enhancement in solubility. To our knowledge, ADG-Lys prepared in this work shows the maximum ADG content (70 wt.%) and the highest ADG solubility among the reported ADG amorphous solid dispersions and co-amorphous systems.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 9","pages":"752-752"},"PeriodicalIF":0.0,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2073-4352/15/9/752/pdf?version=1756108558","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147333931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Flexible Cs3Cu2I5 Nanocrystal Thin-Film Scintillators for Efficient α-Particle Detection 用于α-粒子检测的柔性Cs3Cu2I5纳米晶体薄膜闪烁体

4区材料科学

Crystals Pub Date : 2025-08-06 DOI: 10.3390/cryst15080716

Yang Li, Xue Du, Silong Zhang, Bang‐Gui Liu, Naizhe Zhao, Yapeng Zhang, Ouyang Xiaoping

{"title":"Flexible Cs3Cu2I5 Nanocrystal Thin-Film Scintillators for Efficient α-Particle Detection","authors":"Yang Li, Xue Du, Silong Zhang, Bang‐Gui Liu, Naizhe Zhao, Yapeng Zhang, Ouyang Xiaoping","doi":"10.3390/cryst15080716","DOIUrl":"https://doi.org/10.3390/cryst15080716","url":null,"abstract":"Thin-film detection technology plays a significant role in particle physics, X-ray imaging and radiation monitoring. In this paper, the detection capability of a Cs3Cu2I5 thin-film scintillator toward α particles is investigated. The flexible thin-film scintillator is fabricated by a facile and cost-effective in situ strategy, exhibiting excellent scintillation properties. Upon α-particle excitation, the light yield of the Cs3Cu2I5 thin-film is 2400 photons/MeV, which greatly benefits its application for single-particle events detection. Moreover, it shows linear energy response within the range of 4.7–5.5 MeV and moderate decay time of 667 ns. We further explored the cryogenic scintillation performance of Cs3Cu2I5@PMMA film. As the temperature decreases from 300 K to 50 K, its light yield gradually increases to 1.3 fold of its original value, while its decay time remains almost unchanged. This scintillator film also shows excellent low-temperature stability and flexible operational stability. This work demonstrates the great potential of the Cs3Cu2I5@PMMA film for the practical utilization in α-particle detection application.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 8","pages":"716-716"},"PeriodicalIF":0.0,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2073-4352/15/8/716/pdf?version=1754529736","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147909216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Lithium Lanthanum Titanate (LLTO) Solid Electrolyte with High Ionic Conductivity and Excellent Mechanical Properties Prepared by Aerodynamic Levitation Rapid Solidification 采用空气动力悬浮快速凝固法制备具有高离子电导率和优异力学性能的钛酸镧锂（LLTO）固体电解质

4区材料科学

Crystals Pub Date : 2025-07-31 DOI: 10.3390/cryst15080707

Yidong Hu, Fan Yang, J. G. Li, Qiaodan Hu

引用次数: 3

Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate 挥发性吡啶衍生物和铜（II）乙酰丙酮酸的风加合物

4区材料科学

Crystals Pub Date : 2025-07-29 DOI: 10.3390/cryst15080690

Luca Mensing, Tim Schäfer, Marcus Layh, Marian Hebenbrock

引用次数: 0

Effects of [Zn0.5Si0.5]3+ Substitution on Microwave Dielectric Properties of ZnAl2-x(Zn0.5Si0.5)xO4 Ceramics [Zn0.5Si0.5]3+取代对ZnAl2-x(Zn0.5Si0.5)xO4陶瓷微波介电性能的影响

4区材料科学

Crystals Pub Date : 2025-07-04 DOI: 10.3390/cryst15070623

Xue‐Kai Lan, Bairui Chen, Huatao Tang, Changzhi Yin, Bin Tian, Wen Lei

{"title":"Effects of [Zn0.5Si0.5]3+ Substitution on Microwave Dielectric Properties of ZnAl2-x(Zn0.5Si0.5)xO4 Ceramics","authors":"Xue‐Kai Lan, Bairui Chen, Huatao Tang, Changzhi Yin, Bin Tian, Wen Lei","doi":"10.3390/cryst15070623","DOIUrl":"https://doi.org/10.3390/cryst15070623","url":null,"abstract":"Microwave dielectric ceramics are indispensable in modern communication technologies, playing a pivotal role in components such as filters, oscillators, and antennas. Among these materials, ZnAl2O4 ceramics have garnered attention for their excellent quality factor (Q × f) and low dielectric constant (εr). However, their high sintering temperature (~1650 °C) limits practical applications. This study investigates ZnAl2-x(Zn0.5Si0.5)xO4 (ZAZS) (x = 0.1–0.9) ceramics, where [Zn0.5Si0.5]3+ substitutes Al3+, to reduce sintering temperature while maintaining high-performance microwave dielectric properties. ZAZS ceramics were synthesized via the solid-state reaction method and characterized for their structural, morphological, and dielectric properties. X-ray diffraction analysis confirmed the formation of a single-phase solid solution up to x = 0.8, with minor secondary phases appearing at x = 0.9. The substitution increased lattice parameters and enhanced material densification, as observed through SEM and relative density calculations. Microwave dielectric measurements showed that ZAZS ceramics achieved a maximum Q × f of 20,200 GHz and a τf value reduced to −62 ppm/°C at x = 0.8, while εr decreased from 7.90 to 6.98. Bond-valence calculations reveal that the reduction of the average Al/Zn/Si–O bond valence weakens octahedral rigidity, systematically tuning τf toward zero. These results demonstrate that ZAZS ceramics, with a reduced sintering temperature of 1400 °C, exhibit excellent potential for application in low-loss microwave devices.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 7","pages":"623-623"},"PeriodicalIF":0.0,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2073-4352/15/7/623/pdf?version=1751623817","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147913011","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0