CrystalsPub Date : 2025-03-28DOI: 10.3390/cryst15040323
W. Zheng, Junni Ke, Kaerdun Liu, Rongrong Xue, Fenghua Chen
{"title":"Aqueous Solution Spray Drying Preparations of Binary Amorphous Solid Dispersions","authors":"W. Zheng, Junni Ke, Kaerdun Liu, Rongrong Xue, Fenghua Chen","doi":"10.3390/cryst15040323","DOIUrl":"https://doi.org/10.3390/cryst15040323","url":null,"abstract":"Spray drying of poorly water-soluble drugs in organic solvents is a mature process in the preparation of drugs amorphous solids dispersions (ASDs). The use of organic solvents is under increasing environmental protection and safety pressure and restricts the application of advanced polymers as proteins which are usually insoluble and unstable in organic solvents. Aqueous solution spray drying technology is a candidate method for preparing ASDs without the use of organic solvents. Increasing temperature and adding volatile additives can improve the solubility of poorly water-soluble drugs in water without introducing additional components and energy needed. In this work, ammonia assisted aqueous solution spray drying method was successfully used to prepare various ASDs of indomethacin (25%) with synthetic polymers as polyvinylpyrrolidone and proteins as β-lactoglobulin, lactalbumin hydrolysate, bovine serum albumin, with high yields, special micro golfs morphology, precise compositions and longtime stabilities, compared to high-temperature aqueous solution spray drying method. ASDs with lactalbumin hydrolysate and bovine serum albumin show better dissolution profiles than other ASDs. Aqueous solution spray drying is easily extended to prepare the ASDs of sulfamerazine and celecoxib, providing a possibility to avoid the use of organic solvents in advanced ASDs preparations via spray drying.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 4","pages":"323-323"},"PeriodicalIF":0.0,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2073-4352/15/4/323/pdf?version=1743156080","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147330752","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}
{"title":"In Situ Observation of Redox Dynamics and Surface Restructuring on Pt/CeO2 Catalysts","authors":"Yu‐Ye Li, Jianyu Cao, Zhongshi Zhang, Jing Xia, Xiangmin Meng","doi":"10.3390/cryst15030215","DOIUrl":"https://doi.org/10.3390/cryst15030215","url":null,"abstract":"Heterogeneous catalysis has significant applications in energy conversion, chemical production, and environmental treatment. Among them, the supported catalyst Pt/CeO2 has attracted much attention due to its high catalytic activity and stability. While the particle size of the catalyst strongly influences its performance, the dynamic behavior and the underlying mechanism of the particle size effect under realistic reactions have not been fully clarified. Using in situ transmission electron microscopy and mass spectrometry, we systematically investigated the size-dependent surface restructuring of Pt nanoparticles supported on CeO2 in high-temperature redox environments. Larger Pt nanoparticles exhibited significant surface fluctuations during oxidation, which could be reconstructed under reducing conditions, with a slight rotation after the reaction cycle. In contrast, smaller Pt particles demonstrated greater stability, maintaining a constant size after the reaction while their surface structures continuously restructured into low-index crystal planes during oxidation. Mass spectrometry revealed water production during the catalytic process, highlighting a correlation between surface restructuring and reactivity. These findings advance the understanding of redox dynamics in noble metal catalysts and provide a theoretical basis for the design of more efficient and stable catalytic systems.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 3","pages":"215-215"},"PeriodicalIF":0.0,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.mdpi.com/2073-4352/15/3/215/pdf?version=1740391713","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147334038","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}
CrystalsPub Date : 2025-02-04DOI: 10.3390/cryst15020158
Zhennan Yao, Enza Migliore, Massimiliano Galluzzi, Jingze Liu
{"title":"Innovative Hygroscopic Material for Humidity Regulation: Diatomaceous Earth Composite Porous Ceramic","authors":"Zhennan Yao, Enza Migliore, Massimiliano Galluzzi, Jingze Liu","doi":"10.3390/cryst15020158","DOIUrl":"https://doi.org/10.3390/cryst15020158","url":null,"abstract":"Urbanization in hot and humid regions such as southern China has increased the demand for comfortable indoor environments. In order to design a material for efficient passive indoor humidity regulation, this study investigates a composite material that combines the hygroscopic properties of salt and the adsorption capacity of diatomaceous earth (DE). Firstly, we prepared DE and boehmite into moisture-absorbing porous materials. Then, the initial DE-based sample was innovatively doped with SiO2 nanomaterials and loaded with LiCl to enhance the humidity regulation ability of the composite, especially in the adsorption and desorption ability of water vapour. The microstructure and phase composition of the composite samples were analysed, and we observed an increase in porosity, filling performance and capillary condensation upon the introduction of SiO2 nanoparticles. The hygroscopic salt loaded into the pores can absorb more water when exposed to the ambient humidity. This synergic effect can effectively improve the hygroscopic performance of the composite material while maintaining the stability of the physical and chemical properties. The optimized samples showed a moisture absorption rate of 28% in high-humidity environments, meeting moisture buffer value evaluation standards. The study’s findings lay the foundation for the future integration of these materials through advanced manufacturing technologies.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"15 2","pages":"158-158"},"PeriodicalIF":0.0,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147330765","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}
CrystalsPub Date : 2024-09-18DOI: 10.3390/cryst14090818
Numair Elahi, Constantinos D. Zeinalipour-Yazdi
{"title":"Recent Advances in Ammonia Synthesis Modeling and Experiments on Metal Nitrides and Other Catalytic Surfaces","authors":"Numair Elahi, Constantinos D. Zeinalipour-Yazdi","doi":"10.3390/cryst14090818","DOIUrl":"https://doi.org/10.3390/cryst14090818","url":null,"abstract":"In this review, we explore the recent progress in catalytic materials for the ammonia syntheses that are based on metal nitrides and other catalytic surfaces. It comprises a detailed overlook of the various techniques used in ammonia synthesis research and the state-of-the-art modeling techniques employed to investigate new reaction mechanisms and more efficient processes for sustainable ammonia synthesis production. The review is discussed in the context of the reaction mechanisms developed and the recent progress that has been made with respect to thermal, electrochemical, and photocatalytic ammonia synthesis.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"17 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CrystalsPub Date : 2024-09-18DOI: 10.3390/cryst14090817
Shoroog Alraddadi
{"title":"Crystal Structure, Microstructure, and Dielectric and Electrical Properties of Ceramic Material Prepared Using Volcanic Ash","authors":"Shoroog Alraddadi","doi":"10.3390/cryst14090817","DOIUrl":"https://doi.org/10.3390/cryst14090817","url":null,"abstract":"In the present work, the electrical and dielectric properties of ceramic samples prepared from volcanic ash were investigated. For this purpose, ceramic samples were prepared using milled volcanic ash with a binder material at a sintering temperature of 950 °C for 2 h. The chemical content of the milled volcanic ash was investigated using XRF. Differential thermal analysis and thermogravimetry were performed to determine the firing conditions. The crystalline phases and microstructures of the ceramic samples were investigated using XRD and SEM, respectively. Finally, the electrical and dielectric properties of the obtained samples were evaluated at a frequency ranging from 1 × 102 to 4 × 106 Hz and temperatures ranging from room temperature to 800 °C. The XRD results revealed that the ceramic samples contained three main phases: albite, hematite, and augite. Moreover, the microstructures of the samples exhibited a large crystal size with a dense surface. The conductivities and dielectric constants of the samples remained stable up to 500 °C. The real and imaginary parts of the dielectric constant decreased with an increase in frequency and increased with an increase in temperature. The results indicated that ceramics based on volcanic ash are promising for use in technological applications such as high-voltage power insulators.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"10 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CrystalsPub Date : 2024-09-17DOI: 10.3390/cryst14090815
Oliver Tschauner
{"title":"General Trends in the Compression of Glasses and Liquids","authors":"Oliver Tschauner","doi":"10.3390/cryst14090815","DOIUrl":"https://doi.org/10.3390/cryst14090815","url":null,"abstract":"The present work relates the isothermal volumes of silicate glasses and melts to the combined ionic volumes of their chemical constituents. The relation is an extension of a relation that has already been established for crystalline oxides, silicates, alumosilicates, and other materials that have O2− as a constituent anion. The relation provides constraints on bond coordination, indicates pressure-induced changes in coordination in melts and glasses and interatomic distances, and quantifies the extent of transitory regions in pressure-induced coordination changes.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"203 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257053","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CrystalsPub Date : 2024-09-17DOI: 10.3390/cryst14090816
Mile Djurdjevic, Srecko Manasijevic, Aleksandra Patarić, Srecko Stopic, Marija Mihailović
{"title":"Impact of Mg on the Feeding Ability of Cast Al–Si7–Mg(0_0.2_0.4_0.6) Alloys","authors":"Mile Djurdjevic, Srecko Manasijevic, Aleksandra Patarić, Srecko Stopic, Marija Mihailović","doi":"10.3390/cryst14090816","DOIUrl":"https://doi.org/10.3390/cryst14090816","url":null,"abstract":"The demand for high-performance Al–Si casting alloys is driven by their mechanical properties, making them popular in automotive, aerospace, and engineering industries. These alloys, especially hypoeutectic Al–Si–Mg, offer benefits like high fluidity, low thermal expansion, and good corrosion resistance. Silicon and magnesium primarily define their microstructure and mechanical properties. Silicon enhances fluidity, while magnesium improves strength and fatigue resistance. However, challenges like shrinkage porosity persist during solidification. Understanding solidification feeding regions is crucial, influenced by factors such as chemical composition, solidification characteristics, and casting design. This study investigates magnesium’s influence on feeding ability in hypoeutectic Al–Si7–Mg alloys through experimental tests. Increasing magnesium content from 0% to 0.6% affects the interdendritic and burst feeding regions. This could impact shrinkage porosity formation. The “Sand Hourglass” test results indicate a rise in porosity levels with higher magnesium content, which is linked to the narrowing of interdendritic channels and the formation of magnesium-rich intermetallic compounds. These changes hinder the liquid metal flow, worsening shrinkage porosity. Therefore, magnesium’s role in expanding the interdendritic region is a key factor in developing porosity in cast hypoeutectic Al–Si7–Mg alloys. This study highlights that porosity levels increase from 0% in magnesium-free Al–Si7 to 0.84% in Al–Si7–Mg0.6, underscoring magnesium’s significant impact on the occurrence of porosity in these alloys.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"119 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CrystalsPub Date : 2024-09-14DOI: 10.3390/cryst14090811
Abdulrahman Mohabbat, Jasmin Salama, Philipp Seiffert, István Boldog, Christoph Janiak
{"title":"Single-Crystal Structure Analysis of Dicarboxamides: Impact of Heteroatoms on Hydrogen Bonding of Carboxamide Groups","authors":"Abdulrahman Mohabbat, Jasmin Salama, Philipp Seiffert, István Boldog, Christoph Janiak","doi":"10.3390/cryst14090811","DOIUrl":"https://doi.org/10.3390/cryst14090811","url":null,"abstract":"This research examines how heteroatoms in a six- or five-membered pyridine, thiophene or furan ring spacer between two carboxamide groups influence the hydrogen bonding for advancements in supramolecular chemistry and drug development. The solvent-free crystal structures of 3,5-pyridinedicarboxamide (PDC), 2,5-thiophenedicarboxamide (TDC) and 2,5-furandicarboxamide (FDC-subl, crystallized by sublimation), and the monohydrate structure of FDC-solv (crystallized from methanol) are described with the hydrogen-bonding analyzed by the Etter graph-set notation. The carbon atoms of the amide groups form an angle of 121° in PDC, 151° in TDC, 137° in FDC-solv and 135° in FDC-subl with the ring centroid. Only in the structure of PDC does the heteroatom act as an H-bond acceptor as part of a C11(6) chain. In TDC and FDC, the heteroatoms do not interact with the amide -NH2 groups.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"1 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CrystalsPub Date : 2024-09-14DOI: 10.3390/cryst14090814
Violeta Jevtovic, Luka Golubović, Odeh A. O. Alshammari, Munirah Sulaiman Alhar, Tahani Y. A. Alanazi, Violeta Rakic, Rakesh Ganguly, Jasmina Dimitrić Marković, Aleksandra Rakić, Dušan Dimić
{"title":"The Counterion (SO42− and NO3−) Effect on Crystallographic, Quantum-Chemical, Protein-, and DNA-Binding Properties of Two Novel Copper(II)–Pyridoxal-Aminoguanidine Complexes","authors":"Violeta Jevtovic, Luka Golubović, Odeh A. O. Alshammari, Munirah Sulaiman Alhar, Tahani Y. A. Alanazi, Violeta Rakic, Rakesh Ganguly, Jasmina Dimitrić Marković, Aleksandra Rakić, Dušan Dimić","doi":"10.3390/cryst14090814","DOIUrl":"https://doi.org/10.3390/cryst14090814","url":null,"abstract":"New Cu(II) complexes with pyridoxal-aminoguanidine (PLAG) ligands and different counterions (SO42− and NO3−) were prepared and their crystal structures were solved by the X-ray crystallography. The geometries of the obtained complexes significantly depended on the counterions, leading to the square-pyramidal structure of [Cu(PLAG)NO3H2O]NO3 (complex 1) and square-planar structure of [Cu(PLAG)H2O]SO4 (complex 2). The intermolecular interactions were examined using the Hirshfeld surface analysis. The theoretical structures of these complexes were obtained by optimization at the B3LYP/6-311++G(d,p)(H,C,N,O,S)/LanL2DZ(Cu) level of theory. The Quantum Theory of Atoms in Molecules (QTAIM) was applied to assess the strength and type of the intramolecular interactions and the overall stability of the structures. The interactions between the complexes and transport proteins (human serum albumin (HSA)) and calf thymus DNA (CT-DNA) were examined by spectrofluorometric/spectrophotometric titration and molecular docking. The binding mechanism to DNA was assessed by potassium iodide quenching experiments. The importance of counterions for binding was shown by comparing the experimental and theoretical results and the examination of binding at the molecular level.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"21 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142269156","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CrystalsPub Date : 2024-09-14DOI: 10.3390/cryst14090812
Turgut Yilmaz, Xiao Tong, Zhongwei Dai, Jerzy T. Sadowski, Genda Gu, Kenya Shimada, Sooyeon Hwang, Kim Kisslinger, Elio Vescovo, Boris Sinkovic
{"title":"Surface Electronic Structure of Cr Doped Bi2Se3 Single Crystals","authors":"Turgut Yilmaz, Xiao Tong, Zhongwei Dai, Jerzy T. Sadowski, Genda Gu, Kenya Shimada, Sooyeon Hwang, Kim Kisslinger, Elio Vescovo, Boris Sinkovic","doi":"10.3390/cryst14090812","DOIUrl":"https://doi.org/10.3390/cryst14090812","url":null,"abstract":"Here, by using angle-resolved photoemission spectroscopy, we showed that Bi2−xCrxSe3 single crystals have a distinctly well-defined band structure with a large bulk band gap and undistorted topological surface states. These spectral features are unlike their thin film forms in which a large nonmagnetic gap with a distorted band structure was reported. We further provide laser-based high resolution photoemission data which reveal a Dirac point gap even in the pristine sample. The gap becomes more pronounced with Cr doping into the bulk of Bi2Se3. These observations show that the Dirac point can be modified by the magnetic impurities as well as the light source.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"43 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257056","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}