Review
Chemistry, Inorganic & Nuclear
Kanisha Kar, Diya Ghosh, Bikash Kabi, Arpita Chandra
Summary: Research on metal-based chemotherapeutics, particularly cobalt complexes, as potential anticancer agents has gained attention due to the limited applicability of platinum coordination complexes. Cobalt(III) Schiff base complexes, such as Doxovir, show promise in antiviral clinical trials and provide insights for the design of novel and safer anticancer drugs.
Review
Crystallography
Bogdan Istrate, Corneliu Munteanu, Iulian-Vasile Antoniac, Stefan-Constantin Lupescu
Summary: Biodegradable magnesium-based alloys are considered promising materials for medical applications due to their biocompatibility and excellent mechanical properties. They have been used in the production of implants for small bones and joints, showing high biocompatibility, adequate mechanical properties, and rapid degradation without the need for a second surgery.
Article
Chemistry, Multidisciplinary
Suraj N. Mali, Anima Pandey, Bapu R. Thorat, Chin-Hung Lai
Summary: This study focuses on the common pharmacophore and QSAR analysis of 38 imidazopyridine analogues as anti-TB agents using theoretical tools. Several molecules were identified to have high anti-TB potency and good pharmacokinetic properties.
STRUCTURAL CHEMISTRY
(2022)
Review
Chemistry, Multidisciplinary
Xiang-Bin Han, Chao-Yang Chai, Bei-Dou Liang, Chang-Chun Fan, Wen Zhang
Summary: This article highlights the recent developments in ferroic phase transition molecular crystals (FPTMCs), including ferroelectrics and ferroelastics, and discusses the current challenges and opportunities in this field. The ferroelectricity and ferroelasticity of FPTMCs are fundamentally associated with structural phase transitions, which account for numerous interesting and important emergent and switching properties of these materials.
Article
Crystallography
Mohamad M. Ahmad, Hicham Mahfoz Kotb, Shehla Mushtaq, Mir Waheed-Ur-Rehman, Christopher M. Maghanga, Mir Waqas Alam
Summary: This article describes the synthesis of manganese-doped copper nanoparticles using Vinca rosea leaf extract, highlighting its convenience and environmentally friendly nature. The synthesized nanoparticles were found to be monodispersed and spherical, with an average size of 412 nm. They exhibited antioxidant and antibacterial properties, and showed potential for dye degradation and catalysis. The green synthesis approach offers a promising solution for various applications.
Article
Crystallography
Emiliano Laudadio, Pierluigi Stipa, Luca Pierantoni, Davide Mencarelli
Summary: This study presents a detailed computational analysis of four HfO2 polymorphs, revealing their intrinsic properties and response characteristics. The obtained results provide important insights into the excited states phenomena of HfO2 polymorphs.
Article
Chemistry, Multidisciplinary
Yujuan Zhang, Lingling Gao, Sai Ma, Tuoping Hu
Summary: A sensitive method for detecting pesticide residues carbaryl was achieved by designing and synthesizing 3D Cd-MOF and constructing a stable MB@Cd-MOF composite with dual-emitting characteristics. The MB@Cd-MOF showed rapid fluorescence response, good stability, and excellent sensing accuracy for carbaryl.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Caijin Lei, Hongwei Yang, Wei Yang, Qinghua Zhang, Guangbin Cheng
Summary: This study demonstrated a series of energetic compounds featuring intramolecular hydrogen bonds, with compound 6 identified as an ideal insensitive HEDM candidate due to its high density, good detonation properties, simple preparation, good thermostability, and insensitivity.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Zemin He, Ping Yu, Yuzhen Zhao, Qing Yang, Yang Zhao, Huimin Zhang, Shuai Zi, Zongcheng Miao, Haiquan Zhang, Wenbo Shen
Summary: Improving the electro-optical performance of polymer-dispersed liquid crystal (PDLC) films was achieved by implanting polyhedral oligomeric silsesquioxane (POSS) microstructure into the polymer matrix. The size of polymer meshes increased with the content of POSS microstructure, leading to higher static water contact angles. The anchoring effect of the polymer matrix containing POSS microstructure was weakened, resulting in a dramatic regulation effect on the electro-optical properties of the PDLC films.
Article
Chemistry, Multidisciplinary
Fafa Wu, Qingyin Wei, Xiaoqi Li, Yi Liu, Weiqi Huang, Qin Chen, Bingxuan Li, Junhua Luo, Xitao Liu
Summary: Exploration of nonlinear optical crystalline materials is a hot topic in the field of modern optoelectronics and laser technology. The study focuses on the emerging organic-inorganic hybrid metal halides, which have the potential to provide infinite opportunities. In this study, a non-centrosymmetric organic-inorganic hybrid antimony halide was developed by combining an inorganic second-order Jahn-Teller distorted octahedron with an organic pi-conjugated aromatic amine. The crystals showed a remarkable second harmonic generation response and moderate birefringence, indicating their potential for applications in the field of nonlinear optics. The crystal structure analysis and theoretical calculations revealed that the large second harmonic generation response is primarily due to the cooperative coupling between the highly asymmetric distorted octahedron and the pi-conjugated aromatic amine.
CRYSTAL GROWTH & DESIGN
(2022)
Review
Chemistry, Inorganic & Nuclear
Yani Wang, Jingwei Huang, Lei Wang, Houde She, Qizhao Wang
Summary: This article reviews the application of ferrites in photoelectrochemical water splitting, including their structures, preparation methods, characteristics, and modification strategies. Ferrites, as a type of metal oxide, show potential in PEC conversion, but are troubled by issues of charge recombination and low carrier transport efficiency.
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Li Jinqian, Yuzhen Zhao, Hong Gao, Dong Wang, Zongcheng Miao, Hui Cao, Zhou Yang, Wanli He
Summary: This study investigates the effects of crosslinking agent TMPTA content, liquid crystal content, and CeO2 content on the polymer structures and electro-optical properties of PDLC films. It was found that by doping a small amount of CeO2 nanoparticles, the electro-optical properties of PDLC films can be optimized, showing a significant decrease in V-th and increase in CR. This work provides a valuable approach to optimize the electro-optical properties of PDLC films, laying a solid foundation for their wide application.
Article
Chemistry, Inorganic & Nuclear
Shi-Zhen Li, Lin Dou, Ying Huang, Peng Li, Wen-Kui Dong
Summary: The multinuclear Co(II) and Zn(II) salamo-based complexes were successfully isolated and characterized structurally. These complexes exhibit unique structures and chemical properties, and show fluorescence enhancement.
Article
Biochemical Research Methods
Muhammad Waqas, Javed Iqbal, Rana Farhat Mehmood, Sahar Javaid Akram, Ahmed M. Shawky, Muhammad Raheel, Ehsan Ullah Rashid, Rasheed Ahmad Khera
Summary: Density functional theory and computational methods were used to fine tune the photovoltaic attributes and efficiency of the MO-IDIC-2F molecule. The effects of various photovoltaic properties on the efficiency of organic chromophores were studied, and new molecules with improved outcomes were designed.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
Article
Chemistry, Inorganic & Nuclear
Ruiyan Chen, Guanghui Chen, Yanping He, Jian Zhang
Summary: In this study, a series of Ti4L6-based compounds with different structures were successfully synthesized and characterized by coordinating the tetrahedral Ti4L6 cages with alkaline-earth metal ions. The thermal stability, phase purity, UV-vis absorption spectrum, fluorescent, and third-order nonlinear-optical properties of these compounds were also investigated.
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Misbah Asif, Hasnain Sajid, Khurshid Ayub, Adnan Ali Khan, Rashid Ahmad, Muhammad Ans, Tariq Mahmood
Summary: The C4N's sensing affinity and adsorption properties towards carbamate insecticides were investigated using density functional theory calculations. The results showed that the insecticides are physically adsorbed via noncovalent interactions, leading to changes in the electronic structure of C4N. This suggests that C4N has potential as a sensitive sensor for toxic pesticides.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
Article
Chemistry, Inorganic & Nuclear
Shi Cheng, Qianqian Xiong, Chengxiao Zhao, Xiaofei Yang
Summary: This study reports an integrated CdS nanorod/oxygen-terminated Ti3C2Tx MXene nanosheet heterojunction with high catalytic hydrogen evolution reaction (HER) activity. The heterojunction achieved a hydrogen-evolving rate much higher than bulk CdS and CdS/unmodified MXene hybrid catalysts. The enhanced HER activity and stability are attributed to the presence of oxygen-containing terminal groups, extended light absorption spectra, and the precisely constructed intimate Schottky contact.
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
(2022)
Review
Crystallography
Hualong Wu, Kang Zhang, Chenguang He, Longfei He, Qiao Wang, Wei Zhao, Zhitao Chen
Summary: Ultrawide bandgap (UWBG) semiconductor materials have attracted great attention recently, and wurtzite aluminum nitride (AlN) is a typical representative with many advantages. However, due to the lack of low-cost, large-size, and high-ultraviolet-transparency native AlN substrate, heteroepitaxial AlN film grown on sapphire substrate is usually used. This review summarizes the recent advances in fabricating wurtzite AlN film on sapphire substrate, discussing control principles of AlN polarity, ways to control threading dislocations and strain, achieving high thermal conductivities, and future challenges.
Article
Chemistry, Multidisciplinary
Artur Glavic, Matts Bjorck
Summary: This article presents the evolution and new features of the GenX software over the past 15 years. The software has improved the ability to analyze X-ray and neutron reflectometry data through features like a simplified model builder and statistical error analysis.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Biochemical Research Methods
Vishakha Singh, Poonam Dhankhar, Vikram Dalal, Shailly Tomar, Pravindra Kumar
Summary: This study aimed to investigate the drug target for Klebsiella pneumonia and identify potential antibacterial compounds. Through in-silico analysis and bioinformatics tools, HP CP995_08280 was identified as a drug target and five potent antibacterial molecules were discovered. Molecular dynamics and MMPBSA confirmed the stability of the complexes.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
