Article
Chemistry, Multidisciplinary
Sevde Demir, Tugba Alp Arici, Hakan Erer
Summary: A novel 2D coordination polymer with remarkable adsorption performance for methyl orange was synthesized through solvothermal reaction.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Inorganic & Nuclear
Hao Wang, Jiang-Yang Shao, Ran Duan, Ke-Zhi Wang, Yu-Wu Zhong
Summary: The properties of cyclometalated diruthenium complexes bridged by H-tbibp have been investigated through experiments and computational analysis, revealing the high effectiveness of H-tbibp in mediating Ru-Ru coupling. The combination of different terminal ligands shows variations in electronic transfer efficiency.
DALTON TRANSACTIONS
(2021)
Article
Biochemistry & Molecular Biology
Nesreen T. El-Shamy, Ahmed M. Alkaoud, Rageh K. Hussein, Moez A. Ibrahim, Abdulrahman G. Alhamzani, Mortaga M. Abou-Krisha
Summary: This paper investigates the pharmaceutical properties of a novel pyrimidine molecule. Computational techniques were applied to elucidate its chemical nature, drug likeness, and antibacterial function. The molecule was found to be relatively stable and possess a high electrophilic nature. It demonstrated a high affinity for binding within the active sites of antibacterial and antimalarial proteins, indicating potential as a promising drug candidate for the development of novel antimicrobial agents.
Article
Chemistry, Physical
Jialin Bi, Yan Liu, Fengjun Gao, Shengsong Ge, Zeinhom M. E-LBahy, Mina Huang, Gaber A. M. Mersal, A. Alhadhrami, Mohamed M. Ibrahim, Ben Bin Xu, Hassan Algadi, Qian Shao, Zhanhu Guo
Summary: A waterborne acrylic resin modified by 3,3',5,5'-tetramethyl-4,4'-biphenyl diglycidyl ether (TMBPDGE) was synthesized with excellent water resistance and mechanical properties. Optimized experimental conditions were determined, and the resin showed enhanced properties when the TMBPDGE amount was 10 wt%. The modified resin has great potential in wood coatings due to its improved water resistance and mechanical properties.
SURFACES AND INTERFACES
(2022)
Article
Crystallography
Jin-Bo Guo, Long Zhang
Summary: The crystal structure data of the compound C18H14N6O6Cd is reported, which belongs to the monoclinic system.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2023)
Article
Chemistry, Inorganic & Nuclear
Pierre Thuery, Jack Harrowfield
Summary: In this study, three complexes of varying periodicity of 1,1 '-Biphenyl-3,3 ',4,4 '-tetracarboxylic acid dianhydride were synthesized under solvo-hydrothermal conditions with different counterions. The complex structures varied due to the different forms of ligands used, leading to different periodicity frameworks.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Agronomy
Jiayao Wang, Huihui Liu, Jiazhen Jiang, Xuelian Liu, Tianyou Zhou, Jia-Qi Li, Yumei Xiao, Zhaohai Qin
Summary: By optimizing the lead compound, the contribution of biarylamine in CBUA-TPP (1) analogs to the fungicidal activity is clarified. Several compounds, represented by 2-1, have great potential as fungicide candidates.
PEST MANAGEMENT SCIENCE
(2023)
Article
Chemistry, Inorganic & Nuclear
Bin-Bin Qian, Peng-Chao Song, Hong-Xiang Nie, Bo Zhang, Jin-Yu Zheng, Mei-Hui Yu, Ze Chang
Summary: By regulating the solvent used for synthesis, two porous Ni-MOFs materials were obtained, with compound 1 having a rigid 3D framework and selective adsorption of CO2, and compound 2 showing a flexible 3-fold interpenetrated framework with higher adsorption capacity for CO2 and n-C4H10 after desolvation.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Multidisciplinary
Rongbin Xie, Xingming Zeng, Zhi-Heng Jiang, Yi Hu, Shern-Long Lee
Summary: In this study, the molecular self-assembly of biphenyl-3,3',5,5'- tetracarboxylic acid (BPTC) at the octanoic acid/graphite interface was investigated using scanning tunneling microscopy (STM). It was found that BPTC molecules formed stable bilayers and monolayers under high and low sample concentrations, respectively. The stability of the bilayers was attributed to molecular pi-stacking, while the monolayers relied on solvent co-adsorption. Mixing BPTC with coronene (COR) resulted in the formation of a thermodynamically stable Kagome structure, but kinetic trapping of COR in the co-crystal structure was observed when COR was subsequently deposited onto a preformed BPTC bilayer on the surface. Force field calculation was performed to compare the binding energies of different phases, which helped explain the structural stability formed through kinetic and thermodynamic pathways.
Article
Chemistry, Medicinal
Yong Zheng, Paul M. Stafford, Kurt R. Stover, Darapaneni Chandra Mohan, Mayuri Gupta, Eric C. Keske, Paolo Schiavini, Laura Villar, Fan Wu, Alexander Kreft, Kiersten Thomas, Elana Raaphorst, Jagadeesh P. Pasangulapati, Siva R. Alla, Simmi Sharma, Ramana R. Mittapalli, Irina Sagamanova, Shea L. Johnson, Mark A. Reed, Donald F. Weaver
Summary: IDO1 is a promising therapeutic target for cancer immunotherapy and neurological diseases, and there is ongoing research and development efforts to find highly active inhibitors for human cancers. This study reports the design of novel IDO1 inhibitors based on previous research, with one compound showing strong inhibitory activity. Computational simulations suggest that a hydroxyl group interacts favorably with a specific residue in the protein structure, improving inhibitory potency, and several compounds were found to be brain penetrant with promising pharmacokinetic profiles.
Article
Chemistry, Applied
Lixin Niu, Jinming Fan, Bo Liu, Ding Wang, Tao Wang, Zunting Zhang
Summary: A concise method for the synthesis of furan and benzene fused 2-tetralones via photo-induced rearrangement has been developed. The reaction mechanism involves several key steps including electrocyclization, [1,5]-H shift, [1,3]-H shift and keto-enol isomerization.
ADVANCED SYNTHESIS & CATALYSIS
(2023)
Article
Chemistry, Inorganic & Nuclear
M. A. Lavrova, A. M. Lunev, V. E. Goncharenko, I. Taidakov, V. D. Dolzhenko, Yu A. Belousov
Summary: A new complex was synthesized and characterized in this study. The optical and luminescence properties of the complex were investigated. It shows potential as a photosensitizer.
RUSSIAN JOURNAL OF COORDINATION CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Jin Hu, Xin-Hua Lu
Summary: Two new metal-organic frameworks (MOFs) were synthesized using different metal salts and mixed organic ligands, showing complex structures. One exhibits a layered structure while the other has a rare (3, 4)-connected topology.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS
(2022)
Article
Chemistry, Organic
Arunachalam Prabakaran, Veeraragavan Vijayakumar, Narayanaswamy Radhakrishnan, Rameshkumar Chidambaram, Sambanthan Muthu
Summary: The aim of this research is to investigate the structural and chemical behavior of the novel compound NNDMTA using experimental and computational methods. The compound was characterized by several spectroscopic techniques and its geometry was optimized using density functional theory. Theoretical calculations were compared with experimental results and found to be in agreement. The study also explored the compound's vibrational frequency assignments, electronic absorption behavior, chemical reactivity descriptors, and molecular interactions. Additionally, molecular physicochemical analysis, ADME, and molecular docking analysis were conducted.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Crystallography
Xi-Ting Xu, Tong-Min Dong, Wei Song, Kai-Long Zhong
Summary: The compound is C36N12NiSiF6 with a trigonal crystal system, and lattice parameters of a=9.5965 Å and c=11.8821 Å. The volume is 947.65 Å^3, and the temperature is 223 K.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2021)
Article
Chemistry, Multidisciplinary
Abu Talha Aqueel Ahmed, Sankar Sekar, Shubhangi S. Khadtare, Nurul Taufiqu Rochman, Bathula Chinna, Abu Saad Ansari
Summary: In this study, MnCo2S4 nanosheet catalyst was successfully synthesized and found to exhibit superior performance in hydrogen evolution. Compared to MnCo2S4, MnCo2S4 showed low overpotentials, moderate Tafel slope, and excellent sustainability. The outstanding performance can be attributed to the increased number of electrochemically active sites and enhanced electronic conductivity on the catalyst surface.
Article
Chemistry, Multidisciplinary
Victor V. Maltsev, Elena A. Volkova, Elizaveta V. Koporulina, Diana D. Mitina, Vladimir L. Kosorukov, Anna I. Jiliaeva, Daniil A. Naprasnikov, Konstantin N. Gorbachenya, Viktor E. Kisel
Summary: The phase relationships, crystal properties and luminescence kinetics of two complex systems were studied, including unit cell parameters, segregation coefficients of impurities, and lifetimes of energy levels.
Article
Chemistry, Multidisciplinary
Xiaoman Zhang, Wangwang Xu, W. J. Meng, Andrew C. Meng
Summary: This study successfully grew high-quality single crystal AlScN nanowires through ultra-high vacuum reactive sputtering technique and characterized their structure and properties. The nanowires exhibit significantly reduced mosaic spread and predominantly single ferroelectric domains, as well as a high piezoelectric constant.
Article
Chemistry, Multidisciplinary
Tom E. de Vries, Elias Vlieg, Rene de Gelder
Summary: Networks are important for describing relationships between people, roads between cities, reactions between chemicals, and other interactions. Bipartiteness, dividing the network into two groups, can facilitate the study of the network's structure. We have developed an algorithm that can find a near-optimal bipartisation within a reasonable time frame and used it to uncover the hidden structure of the CSD cocrystal network.
Article
Chemistry, Multidisciplinary
Chuchu Han, Jing Yang, Xin Zhang, Aisen Li, Jiang Peng
Summary: An elastic crystal based on a photo-reactive acylhydrazone derivative is reported, which exhibits reversible bending behavior under UV irradiation and heating. The crystal undergoes reversible E<->Z isomerization under light and heating conditions. The crystal demonstrates excellent elastic properties and the bending can be controlled to control the output direction of red light.
Article
Chemistry, Multidisciplinary
Lingfeng Zhang, Yu Wang, Yefeng Wang, Shuai Liu, Na Zhang, Mingmin Yang, Haixia Ma, Zhaoqi Guo
Summary: This study designs and synthesizes a series of high-energy salts compounds without heavy metal ions and azide groups. The molecular structures and stability of the compounds are confirmed through single-crystal X-ray diffraction and intermolecular interaction analysis. Furthermore, the thermal stability, energetic properties, and electrical initiation properties of the compounds are investigated, suggesting their potential as primary explosives.