Article
Chemistry, Inorganic & Nuclear
Masoume Malmir, Majid M. Heravi, Zahra Yekke-Ghasemi, Masoud Mirzaei
Summary: In this study, a tri-component composite consisting of Fe3O4 nanoparticles, Keggin-type polyoxometalate, and graphene oxide was prepared and investigated as a catalyst for the oxidation of sulfides to sulfoxides. The catalyst showed excellent stability, high yields, and recyclability, making it a promising choice for organic-inorganic hybrid catalytic reactions conducted under mild conditions.
Article
Chemistry, Inorganic & Nuclear
Samuel D. Juarez-Escamilla, Sriloy Dey, Bruno Donnadieu, T. Keith Hollis
Summary: In this study, a bidentate Mo complex was synthesized using metalation and transmetalation methodology. The synthesis was optimized to achieve a high yield. The crystal structure of the bidentate complex was determined. Additionally, alternative forms of ligands were discovered in the reaction.
Article
Chemistry, Inorganic & Nuclear
Qiaofang Fu, Fangyu Tan, Wu Ying
Summary: This study successfully prepared vermiculite/g-C3N4/TiO2 composites and found that under specific conditions, the composites exhibited excellent degradation effects, with a high degradation rate for methylene blue. Additionally, the composites were able to enhance surface area, reduce carrier loading rate, improve light energy utilization, and enhance durability.
Article
Chemistry, Inorganic & Nuclear
Maitrey Travadi, Rajendrasinh N. Jadeja, Ray J. Butcher
Summary: In this study, the structures and properties of six distorted square antiprismatic eight coordinated dysprosium acylpyrazolone complexes were investigated using multiple techniques. The crystal structure analysis of DyL4A revealed an eight coordinated structure and hypersensitivity in the solid-state emission spectra. The comparison of experimental and simulated data confirmed the structures of other complexes. The solvent effect on the electronic spectra was examined, revealing its influence on the spectroscopic properties.
Article
Chemistry, Inorganic & Nuclear
Ji-Yan Gao, Nan Zhang, Dong-Sheng Huang, Xiang-Rong Liu, Zai-Wen Yang, Shun-Sheng Zhao
Summary: Two new transition metal complexes I and II were synthesized and characterized. The complexes exhibited strong thermal stabilities and showed effective binding to CT-DNA and BSA. Complex II exhibited stronger inhibition activity against P. aeruginosa than gentamicin sulfate. These complexes have potential applications in drug research.
Article
Chemistry, Inorganic & Nuclear
Annabelle G. W. Hodson, Robert T. Mason
Summary: Functionalised polystyrene resins have been found to be efficient catalysts in the synthesis of specific complexes, with the conversion rate controlled by the polymer structure. The addition of amines or amino acids can further yield substituted 13-butadienyl complexes, which have been analyzed by NMR.
Article
Chemistry, Inorganic & Nuclear
C. Kavitha, S. Anbarasan, P. Subramaniam
Summary: The sulfoxidation of PMAAs by the oxo(salen)chromium(V) complex in aqueous acetonitrile medium was studied. The rate of the reaction is influenced by the polarity of the medium and the substituents on PMAA, with electron donating substituents accelerating the reaction and electron withdrawing substituents retarding the reaction.
Article
Chemistry, Inorganic & Nuclear
Aleksandr S. Sukhikh, Samara Urkasym Kyzy, Asiya E. Turgambaeva, Denis P. Pishchur, Vladislav V. Krisyuk
Summary: An approach to design new lithium MOCVD precursors by modifying minor ligands is proposed. It is found that beta-ketoiminate ligand can greatly enhance the properties of volatile lithium complexes compared to beta-diketonate analogues. The structure and properties of two similar volatile lithium complexes with bulky ligands are compared, and it is discovered that they have similar molecular structures composed of tetrameric aggregates with a cubane-like Li4O4 core.
Article
Chemistry, Inorganic & Nuclear
Mohamed H. Abdel-Rhman, Ghada Samir, Mostafa A. Hussien, Nasser M. Hosny
Summary: This study investigated the dissolution performance of hydrazine carbonate solution on zirconium dibutyl phosphate (Zr-DBP), and found that hydrazine carbonate solution could promote the dissolution of Zr-DBP. The effects of dissolution temperature and hydrogen peroxide concentration on the dissolution efficiency were also explored, and the corrosion effect on stainless steel by hydrazine carbonate solution was studied.
Article
Crystallography
M. Toderas, Faizah S. Aljohani, Mostafa El-Khatib
Summary: The aluminum industry is versatile and relevant to the development of the entire production chain. Nano alumina products were prepared in two phases with different sizes and shapes using a solid-liquid plasma reactor. The electrical current has a significant impact on the size and crystal structure of the nanoparticles.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Chemistry, Inorganic & Nuclear
Ledja B. O. Davi, Aryanna S. P. N. Costa, Mariana S. Silva, Adriana S. Ribeiro, Cintya D. A. E. S. Barbosa, Julio C. S. Da Silva, Dimas J. P. Lima, Daniela S. Anunciacao
Summary: In this study, a dansyl derivative sensor called o-PDDS was prepared and used for the detection of Al3+ ions in water. The o-PDDS sensor exhibited high sensitivity and linear response towards Al3+ ions. Experimental and computational studies confirmed a 1:1 stoichiometry ratio between o-PDDS and Al3+ ions. Real sample analysis demonstrated the selectivity and detection performance of the sensor, indicating its potential for field use.
Article
Chemistry, Inorganic & Nuclear
Bahareh Dashtipour, Saeed Dehghanpour, Masoomeh Sharbatdaran
Summary: In this study, various metal-organic frameworks were synthesized and evaluated as catalysts for the conversion of glycerol to solketal. Among them, the sulfonated defective MOF-808 showed the highest conversion and selectivity. The correlation between the acidic properties of catalysts and the selectivity of solketal was investigated, revealing two different reaction mechanisms.
Article
Chemistry, Inorganic & Nuclear
Marcelo Carpes Nunes, Thais Zaboenco, Vinicius Kemper Melara, Gabriel Barros Baptistella, Andre Luiz Barboza Formiga, Andersson Barison, Fabio Souza Nunes
Summary: A new luminescent molecular thermometer has been developed, which uses the spin-crossover equilibrium of a nickelcyclen derivative to measure temperature. The sensor shows high sensitivity and accuracy.
Article
Chemistry, Inorganic & Nuclear
Qiang-Qiang Liu, Mithun Kumar Ghosh, Shu-Lan Cai, Xiao-Hong Liu, Lu Lu, Mohd. Muddassir, Tanmay Kumar Ghorai, Jun Wang
Summary: Three newly developed coordination polymers (CPs) with semiconducting properties were synthesized using hydrothermal methods. These CPs exhibit superior photocatalytic activity and can degrade organic pollutants effectively.
Article
Crystallography
Shiwei Zhang, Nan Jia, Leilei Zhang, Huaishu Hou, Mingxu Su
Summary: Crystallization is crucial in fine chemical processes for purification and separation, and the variation in crystal size and temperature is important. In this study, an online measurement system combining ultrasonic spectrometer and image analysis was developed to monitor and understand key parameters during sodium sulfate solution crystallization.
JOURNAL OF CRYSTAL GROWTH
(2024)
Article
Biochemical Research Methods
Rafael Lopes Almeida, Vinicius Gonsalves Maltarollo, Frederico Gualberto Ferreira Coelho
Summary: This research explores the application of Graph Neural Networks (GNNs) in drug development to overcome cost and time limitations. By comparing different datasets and GNN architectures, it provides benchmarking research to guide future investigations and enhance the effectiveness of GNNs in drug discovery and design. While oversampling technique shows potential on imbalanced datasets, further research is needed to optimize its usage and explore alternative solutions for class imbalance.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
Wei Zhao, Wenjie Zou, Fengyang Liu, Fang Zhou, N. Emre Altun
Summary: The effect of grafting rate on the water solubility of chitosan-grafted polyacrylamide (Chi-gPAM) was investigated using molecular dynamics simulations. The results showed that the intramolecular hydrogen bonding of Chi-gPAM played a dominant role in its water solubility. Additionally, the interaction between Chi-gPAM and water increased with grafting rate.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
Farid Faraji Chanzab, Saber Mohammadi, Fatemeh Alemi Mahmoudi
Summary: A comprehensive study using molecular dynamics technique was conducted to investigate the behavior of PAP molecules in a n-heptane/toluene solution and the role of SWCNTs, both bare and functionalized with carboxyl groups, in the aggregation of PAP molecules. The study found that the CNTs hindered the association of PAP molecules through steric hindrance and adsorption mechanisms. The presence of carboxyl groups on the CNTs improved the stability and adsorption of PAP molecules. The results have implications for future research on controlling asphaltene precipitation in the oil industry.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
Kun Lv, Jin Zhang, Xiaohua Liu, Yuqiao Zhou, Kai Liu
Summary: In this paper, the authors propose a robust method for evaluating the interactions between chiral catalysts and substrates using computer simulations. The method involves constructing 3D models from point cloud data, filtering out non-interacting points, determining interacting points, and accurately calculating interacted volumes. Experimental results demonstrate the effectiveness of the method in removing non-interacting points and calculating interacted volumes with low errors.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
Article
Biochemical Research Methods
Peng Cui, Shideng Yuan, Heng Zhang, Shiling Yuan
Summary: Understanding the mechanisms of viscosity enhancement in crude oil phases is crucial for optimizing extraction and transportation processes. This study employed molecular dynamics simulations to investigate the behavior and viscosification mechanism of asphaltene molecules in complex oil phases. The research suggests that electrostatic interactions and interactions between asphaltene and crude oil molecules contribute to the enhanced viscosity. The findings provide insight into the viscosity enhancement mechanisms in crude oil phases.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
