Article
Biochemical Research Methods
Nousheen Parvaiz, Asma Abro, Syed Sikander Azam
Summary: Protein Tyrosine Phosphatase 1B (PTP1B) is a negative regulator of insulin signaling pathways and has potential as a medicinal target. This study explores the binding and conformational orientation of zinc(II) complexes in PTP1B using advanced computational methods. The findings suggest that zinc(II) complexes can bind to important residues in the enzyme and inhibit its activity.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
Jerica Wilson, Bahrad A. Sokhansanj, Wei Chuen Chong, Rohan Chandraghatgi, Gail L. Rosen, Hai-Feng Ji
Summary: Fragment-based drug design is a computer-aided drug discovery method, however, it has limitations in processing time and success rate. In this study, a new method called Fragment Databases from Screened Ligands Drug Design (FDSL-DD) was proposed, which intelligently incorporates fragment characteristics into the drug design process to improve the binding affinity between drugs and protein targets.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
M. Chamani, G. H. Farrahi
Summary: This paper employs the Generalized Particle (GP) method to simulate nanoindentation and nanoscratching, showing that this method maintains consistent atomic properties across different scales and achieves results consistent with full atomic simulations.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(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
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
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)
Review
Crystallography
Soham Mukherjee, Joysurya Basu, Rajiv Kumar Mandal
Summary: Structural transformations in the solid state play a crucial role in the operation of engineering materials. Advanced characterization techniques, such as electron microscopy, have greatly enhanced our understanding of these transformations, particularly in metallic systems like titanium alloys. This article focuses on the formation of various phases in titanium alloys, including solid solution phases, intermetallic phases, quasicrystals, incommensurate structures, and metallic glasses, under different processing conditions. The formation of new phases at the nanoscale is also explored. The importance of studying the properties of nanostructured alloys and the need for a model to understand structural transformations are emphasized. The review concludes by discussing the potential influence of system size on phase formation, using Au-Cu nanostructures as an example.
PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS
(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
Kihyun Kim, Jan Franc, Aleksey E. Bolotnikov, Ralph B. James
Summary: The addition of 2% selenium in CdTe and CdZnTe (CZT) materials results in the generation of additional Cu impurity-bound exciton. Meanwhile, the high concentration of Sn in CdZnTeSe (CZTS) forms a deep level trap.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
S. P. Sikligar, N. N. Prajapati, H. M. Patel, P. D. Patel, P. B. Patel, H. N. Desai, J. M. Dhimmar, B. P. Modi
Summary: Indium Selenide (InSe) is a highly suitable material for photovoltaic conversion with narrow band gap. Its optical and transport properties have great potential in modern electronics and photo-electronic devices. The effects of antimony dopant concentration on the optical band gap and activation energy have been studied.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Crystallography
Thi-Hoai-Thu Nguyen, Jyh-Chen Chen, Chun-Chung Chen
Summary: This study investigates the effects of different quartz crucible geometries on continuous Czochralski growth of 8-inch silicon crystals in a double-crucible system. The numerical results show that a design in which the bottom and the side walls of the crucible are flat lowers the oxygen content, saves energy, and weakens the melt flow turbulence. Moreover, the lowest von Mises thermal stress in the crucible system was obtained with this crucible design.
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
Chemistry, Inorganic & Nuclear
Mehrnaz Aliahmadi, Ali Nemati Kharat, Jan Janczak
Summary: This study proposes a method for synthesizing allyl alcohol using cost-effective and renewable bio-resource glycerol. By utilizing catalysts, alcohol as a solvent, and a reducing agent, allyl alcohol with an efficiency of 100% was obtained. The structures of the newly synthesized complexes were determined using X-ray single crystallography.
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
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
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
Soeun Jang, Jeong Hun Park, Il Won Kim
Summary: The crystallization of active pharmaceutical ingredients (APIs) is crucial for their bioavailability, and polymeric additives have been found to modify the crystallization process. In this study, we examined the effects of different polymers on the cocrystallization of naproxen (API) and nicotinamide (coformer) during freeze drying. Poly(vinylpyrrolidone) and poly(vinylpyrrolidone-co-vinyl acetate) at the concentration level of 3-5% were effective in modulating the size and dispersion of the particles without affecting the cocrystal phase, leading to increased API dissolution. This research provides a foundation for further studies on the application of crystal-modulating additives in freeze drying.
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
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)
