Article
Multidisciplinary Sciences
Tilman A. Grunewald, Stefano Checchia, Hamadou Dicko, Gilles Le Moullac, Manaarii Sham Koua, Jeremie Vidal-Dupiol, Julien Duboisset, Julius Nouet, Olivier Grauby, Marco Di Michiel, Virginie Chamard
Summary: This study utilizes nanobeam X-ray total scattering and reverse Monte Carlo modeling to spatially resolve the amorphous calcium carbonate compounds in mollusc shells. Three distinct amorphous compounds were discovered, and the presence of magnesium in the shell and its role in the amorphous-to-crystal transition were demonstrated. The findings contribute to the understanding of biomineralization and provide insights for bioinspired synthetic strategies.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Physical
Xin Zhang, Alan S. Lea, Anne M. Chaka, John S. Loring, Sebastian T. Mergelsberg, Elias Nakouzi, Odeta Qafoku, James J. De Yoreo, Herbert T. Schaef, Kevin M. Rosso
Summary: Understanding crystallization pathways at nanoscale under high pressure and temperature is challenging. This study used high-pressure atomic force microscopy to directly observe brucite carbonation in water-bearing supercritical carbon dioxide, revealing that the amorphous magnesium carbonate acts as a seed for the crystallization of nesquehonite. Additionally, in situ infrared and thermogravimetric-mass spectrometry analyses indicated the stoichiometry of the amorphous intermediate.
Article
Geochemistry & Geophysics
Jamie K. Lucarelli, Bettina Purgstaller, Robert N. Ulrich, Zeeshan Parvez, Albrecht Leis, Katja E. Goetschl, Robert A. Eagle, Martin Dietzel, Aradhna Tripati
Summary: The presence of amorphous precursors to minerals in laboratory materials and in nature has been observed, with implications in various disciplines. Little is known about the isotopic composition and evolution of isotopic values during the transformation of amorphous carbonates into minerals. This study investigated the evolution of isotopic values in amorphous carbonates and mineral transformation products, revealing the existence of disequilibrium isotopic compositions in the dissolved inorganic carbon pool. The results suggest the presence of a highly dynamic localized environment in biomineralizing organisms and abiotic systems. The isotopic values of carbonate minerals may not accurately represent the formation temperature.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2023)
Article
Engineering, Environmental
Pingli Jiang, Ruiqing Hou, Tao Chen, Lingchuang Bai, Jingan Li, Shijie Zhu, Liguo Wang, Regine Willumeit-Roemer, Shaokang Guan
Summary: Novel calcium carbonate (CaCO3) coatings were prepared via the hydrothermal method and optimized with the addition of glutamate acid (Glu) or dopamine (DOPA) to improve the degradation and biological performance of MgZnCa alloy.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Yi-Ming Ju, Fang Huang, Xin Ding, Li-Bo Mao, Shu-Hong Yu
Summary: This study investigates the mechanism of Mg2+ ion-regulated mineralization of CaCO3 by tracing Mg isotope fractionation. The different mineralization pathways of CaCO3 under different Mg2+ ion concentrations are clarified, and the detailed regulatory role of Mg2+ ions at different stages of mineralization is proposed. These results provide important insights for finely controlling the phase of crystalline products.
Article
Chemistry, Multidisciplinary
Phil Opitz, Laura Besch, Martin Panthoefer, Anke Kabelitz, Ronald E. Unger, Franziska Emmerling, Mihail Mondeshki, Wolfgang Tremel
Summary: This study reports a protein-free formation of bone-like apatite from amorphous precursors through ball-milling. Mg2+ ions are crucial to achieve complete amorphization of CaCO3, promoting cell growth through stimulating cell viability ex vivo.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Physical
Yi-Ming Ju, Fang Huang, Xin Ding, Li-Bo Mao, Shu-Hong Yu
Summary: This study clarifies the different mineralization pathways of CaCO3 under different Mg2+ ion concentrations by tracing Mg isotope fractionation. The detailed regulatory role of Mg2+ ions at different stages of mineralization is proposed.
Article
Spectroscopy
Neha Mehta, Juliette Gaetan, Paola Giura, Thierry Azais, Karim Benzerara
Summary: While the formation of intracellular amorphous calcium carbonate (ACC) by organisms is common, it is challenging to detect ACC in prokaryotes due to its susceptibility to transformation or dissolution during sample preparation. This study identifies diagnostic spectral markers of ACC-forming prokaryotes that enable their detection in the environment.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Micah P. Prange, Sebastian T. Mergelsberg, Sebastien N. Kerisit
Summary: Water plays a crucial role in directing mineralization pathways and stabilizing amorphous intermediates in hydrous carbonate mineral systems. This study uses atomistic models derived from molecular dynamics simulations to investigate the behavior of different cations and hydration levels. The results suggest that water dissociation is thermodynamically driven during dehydration, and proton mobility is primarily due to water dissociation and proton transfer reactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Fujun Yao, Xun Liu, Chaoqun Wu, Xin Yang, Yan Wang, Wenyuan Hu, Chonghua Pei
Summary: This study investigates the biomimetic potential of using amorphous CaCO3 (ACC) to mimic crustacean exoskeletons and optimize their physical and chemical properties. The researchers prepared monodisperse ACC microspheres with high sphericity and hardness using the gas diffusion method in the presence of Mg2+. The stability of ACC was found to be affected by environmental conditions, but the microspheres showed high stability under ambient conditions. This research provides guidance for the preparation of ACC biomimetic composites and enhances the understanding of biomineralization mechanisms.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
C. P. Lamas, J. R. Espinosa, M. M. Conde, J. Ramirez, P. Montero de Hijes, E. G. Noya, C. Vega, E. Sanz
Summary: The seeding method is an approximate approach that combines molecular dynamics simulations with classical nucleation theory to study crystallization. By following a mislabelling criterion to select the threshold, consistency between seeding and rigorous methods can be achieved. This work supports the use of seeding for fast and reasonably accurate nucleation rate estimates in crystallization studies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Yi-Ming Ju, Yang Zhao, Qing-Fang Guan, Si-Yao Yang, Wei Wang, Bei-Bei Yan, Yu-Feng Meng, Si-Cheng Li, Pei-Ping Tang, Li-Bo Mao, Shu-Hong Yu
Summary: This article reports the synthesis of amorphous calcium carbonate (ACC) nanospheres in a water-deficient organic solvent system and reveals the structural characteristics and formation mechanism of ACC nanospheres.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Materials Science, Multidisciplinary
Li-Mei Shang, Jun Jiang, Shu-Hong Yu
Summary: This study reports a facile method to synthesize corn-like Mg-calcite mesocrystals using only Ca2+ and Mg2+ from pure ACC. The resulting mesocrystals consist of many nanocubes with common crystallographic orientation, displaying excellent single crystal features. In the crystallization process, ACC nanospheres rapidly agglomerate into Mg-calcite corn-like mesocrystals through oriented attachment in a certain direction, shedding new light on the role of seawater in the formation of biological Mg-calcite.
SCIENCE CHINA-MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Beibei Xie, Huichao Zhao, Yuan-Fu Ding, Ziyi Wang, Yan Wang, Cheng Gao, Ruibing Wang
Summary: Chemotherapy based on molecular drugs is commonly used for tumor therapy, but its lack of specificity, severe side effects, and tumor resistance hinder its applications. This study introduces a drug-free tumor therapy approach involving spermine-responsive intracellular biomineralization. By designing calcium carbonate nanoparticles capped with folic acid and supramolecular peptides, these nanoparticles can target tumor cells and self-aggregate into micron-sized CaCO3 aggregates in tumor cells with overexpressed spermine. The extended intracellular retention of CaCO3 aggregates can induce intracellular biomineralization and Ca2+ overload, leading to mitochondrial damage and cellular apoptosis, effectively inhibiting tumor growth without serious side effects seen in conventional chemotherapy.
JOURNAL OF CONTROLLED RELEASE
(2023)
Article
Materials Science, Multidisciplinary
Pingli Jiang, Zihao Zeng, Ruiqing Hou, Di Mei, Shijie Zhu, Liguo Wanga, Shaokang Guan
Summary: In this study, a CaCO3 coating on Mg alloy was developed to control the corrosion of Mg2Zn0.2Ca alloy. The presence of MgSO4 in the coating preparation electrolyte affected the morphology and anti-corrosion property of the CaCO3 protective coating. Increasing the concentration of MgSO4 enhanced the corrosion protection property of the coating by increasing its compactness, but further increase in MgSO4 concentration led to a decrease in resistance for the Mg substrate.
MATERIALS & DESIGN
(2022)
Article
Crystallography
Jie Zhang, Yuzhu Sun, Jianguo Yu
JOURNAL OF CRYSTAL GROWTH
(2017)
Article
Crystallography
Jie Zhang, Chunhua Dong, Yuzhu Sun, Jianguo Yu
CRYSTAL RESEARCH AND TECHNOLOGY
(2018)
Article
Chemistry, Medicinal
Peng Gao, Jun Zhang, Qian Peng, Jie Zhang, Vassiliki-Alexandra Glezakou
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2020)
Article
Chemistry, Medicinal
Jie Zhang, Rocio Mercado, Ola Engkvist, Hongming Chen
Summary: This study introduces a novel metric based on chemical space coverage for evaluating and comparing the performance of deep molecular generative models. Experimental results show significant performance variations among different generative models when using limited training data, allowing for clear differentiation of models with stronger generalization capabilities.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Medicinal
Jie Zhang, Hongming Chen
Summary: This paper proposes a novel molecular deep generative model that adopts a recurrent neural network architecture and ligand-protein interaction fingerprint as constraints for generating compounds with similar binding modes.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Physical
Peng Gao, Jie Zhang, Hongbo Qiu, Shuaifei Zhao
Summary: In this study, a fragment-based graph convolutional neural network (F-GCN) was developed for the prediction of atomic/inter-atomic properties. The results were comparable to experimental measurements, with reduced computational cost. F-GCN showed efficient structural prediction capabilities and performed well in tests.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Peng Gao, Jie Zhang, Yuzhu Sun, Jianguo Yu
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2020)
Article
Chemistry, Physical
Peng Gao, Jie Zhang, Yuzhu Sun, Jianguo Yu
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Crystallography
Jianzheng Hu, Long Yan, Ning Zhou, Yao Chen, Xiaoni Yang, Lianqiao Yang, Shiping Guo
Summary: The effect and mechanism of carrier gas velocity, V/III ratio, and carrier gas velocity match on the growth rate of AlN were investigated in this study. The results showed that the growth rate of AlN initially increased with hydrogen flow rate, reached saturation, and then decreased monotonically. The turning point value depended on the equipment and process. By increasing the MO VM, the growth rate of AlN could be improved, but the uniformity deteriorated due to turbulence and loss of uniform boundary layer. High quality AlN films were successfully grown on nano-patterned sapphire substrates with improved crystalline quality and atomic smooth surfaces.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Tingting Ma, Yang Li, Kangning Sun, Qinglin Cheng, Sen Li
Summary: This study investigates the melting process and nucleation behavior of sodium crystals using molecular dynamics simulation. The results show good agreement between simulated and experimental values for the melting temperature, density, and radial distribution function of sodium. The diffusion coefficient of liquid sodium increases linearly with temperature, and the homogeneous nucleation rate of melting in superheated sodium crystal exponentially increases with temperature. The findings provide theoretical support for applications involving heat and mass transfer in sodium-related systems.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Hisato Nishii, Shintarou Iida, Akira Yamasaki, Takumi Ikenoue, Masao Miyake, Toshiya Doi, Tetsuji Hirato
Summary: Epitaxial V2O3 films were fabricated on sapphire substrates using mist chemical vapor deposition (mist CVD) method, eliminating the need for high vacuum conditions. The films can be grown on sapphire substrates even under atmospheric pressure, with the optimal growth temperature at 823 K. The films grown at 823 K exhibit a metal-insulator transition at approximately 155 K. The film on C-plane sapphire exhibits a lower transition temperature compared to those on R- and A-plane sapphire substrates.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Jani Jesenovec, Kevin Zawilski, Peter Alison, Stephan J. Meschter, Sambit K. Saha, Andrew J. Sepelak, Peter G. Schunemann
Summary: In this study, NiSb needles were successfully formed in InSb by manipulating the growth rate and adding NiSb. These needle structures in InSb can be used to tune the magnetoresistance of devices. Additionally, undoped InSb crystals demonstrated good infrared transmission at low growth rates.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
D. Joseph Daniel, P. Karuppasamy, H. J. Kim
Summary: The 2-amino 4-methyl pyridinium oxalate (2A4MPO) compound was synthesized and its crystal structure, functional groups, thermal stability, electrical properties, and third-order nonlinear optical properties were studied. The results demonstrate that the synthesized crystal has good structural integrity, thermal stability, and potential for third-order nonlinear optical applications.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
C. W. Lan
Summary: The past two decades have witnessed a significant transformation in solar silicon crystal growth, especially in the competition between multi-crystalline silicon (Multi-Si) and mono-crystalline silicon (Mono-Si). The demand for this crucial material has exponentially surged, with silicon solar panels capturing over 95% of the global PV market share. The advancements in crystal growth technology during this period have set historical benchmarks, with the market share shifting from high-performance multi-crystalline silicon (HPM-Si) to CZ silicon.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Peiyao Hao, Lili Zheng, Hui Zhang
Summary: A novel design of argon gas tube for removing impurities during silicon ingot growth was developed, and numerical simulations showed that it can effectively extract SiO.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Geetika Sahu, Chanchal Chakraborty, Subhadeep Roy, Souri Banerjee
Summary: This article discusses the novel fractal nature of hydrothermally synthesized MoS2 QDs. By adjusting the reaction time, the study found that the average size of QDs increases and then decreases with longer reaction times. STEM images indicate that shorter reaction times lead to sheet formation, while extended reaction times cause sheets to fragment into QDs.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Pengjian Lu, Wei Huang, Junjun Wang, Haitao Yang, Shiyue Guo, Bin Li, Ting Wang, Chitengfei Zhang, Rong Tu, Song Zhang
Summary: A systematic study on the tetramethylsilane-hydorgen (TMS-H-2) system for the deposition of pure single-crystal SiC by high-temperature chemical vapor deposition (HTCVD) method is conducted. The study investigates the effect of temperature, pressure, and H-2:TMS ratio on the deposition conditions and provides a theoretical basis and guidance for improving the quality and cost of industrial production of single-crystal SiC.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Xinyu Jiang, Liangliang Liu, Yanqing Liu, Yan Wang, Zhaoping Hou
Summary: Investigation on the preparation of anisometric templated textured high entropy or multi-element doped ferroelectric ceramics was conducted using A-site disordered niobate microcrystals. The effects of process parameters on the morphology and chemical composition were studied, and the photocatalytic properties of the microcrystals were evaluated.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Mobashsara Tabassum, Md. Ashraful Alam, Sabrina Mostofa, Raton Kumar Bishwas, Debasish Sarkar, Shirin Akter Jahan
Summary: In this study, high crystallinity copper nanoparticles were synthesized by altering the reaction medium at low temperatures. The results show that changing the reaction medium can reduce the surface energy of precursors and promote the formation of highly crystalline copper nanoparticles.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Ivan Bodnar, Vitaly V. Khoroshko, Veronika A. Yashchuk, Valery F. Gremenok, Mohsin Kazi, Mayeen U. Khandaker, Tatiana I. Zubar, Daria I. Tishkevich, Alex Trukhanov, Sergei Trukhanov
Summary: This work presents the production of single crystals of Cu2ZnGeSe4, a semiconducting quaternary compound, using a gas chemical method with iodine as a transporter. The phase state, crystal structure, and lattice constants of the synthesized samples were refined and determined. The band gap of Cu2ZnGeSe4 was calculated using transmission spectrum and it was found that the band gap increases by 12% with decreasing temperature in the range of 20-300 K.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Timur Malin, Igor Osinnykh, Vladimir Mansurov, Dmitriy Protasov, Sergey Ponomarev, Denis Milakhin, Konstantin Zhuravlev
Summary: The effect of growth temperature on the buffer leakage currents of GaN-on-Si layers was investigated. It was found that higher growth temperature results in lower leakage currents. The defects in GaN layers grown at different temperatures were studied using photoluminescence technique, and a correlation between leakage currents, structural perfection, and donor concentration in GaN-on-Si layers was established. It was also observed that reduced growth temperature leads to the formation of inversion domains.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Thi-Hoai-Thu Nguyen, Jyh-Chen Chen
Summary: The effect of heater power control on heat, flow, and oxygen transport for CCz crystal growth was studied. Shorter upper side heater design could improve crystal quality and growth, but with higher power consumption.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Peter Rudolph
Summary: This article presents an overview of selected contributions to the development of crystal growth technology by the Laudise Prize awardee 2023. It discusses various aspects such as shaped crystal growth, the correlation between melt structure and crystal quality, control of intrinsic defects and inclusions, prevention of dislocation cell patterns, and melt growth experiments under a travelling magnetic field.
JOURNAL OF CRYSTAL GROWTH
(2024)
