Article
Biochemistry & Molecular Biology
Budimir S. Ilic, Mihajlo Gajic, Bojan P. Bondzic, Zdravko Dzambaski, Gordana Kocic, Andrija Smelcerovic
Summary: Two 1-(pyrrolidin-2-yl)propan-2-one derivatives showed promising inhibitory properties against DNase I, with predicted favorable pharmacokinetic profiles. Molecular docking and dynamics simulations indicated that interactions with specific amino acids play a key role in the inhibitors' affinity towards DNase I.
CHEMISTRY & BIODIVERSITY
(2021)
Article
Chemistry, Multidisciplinary
Sohee Jeong, Kyung Sik Yoon, Jin-Moo Lee, Eun Sung Jo, Dojung Kim, Sun Ok Choi
Summary: This study evaluated the safety of MNA and prolintane compounds on the nerves and cardiovascular systems. The results showed that these compounds may have harmful effects, including increased spontaneous motion and body temperature, reduced motor coordination, abnormal immune response, and the potential for ventricular arrhythmia.
DRUG AND CHEMICAL TOXICOLOGY
(2023)
Article
Engineering, Chemical
K. Hanna Karlsson, Hatoon Makhool, Magnus Karlsson, Helena Svensson
Summary: Non-aqueous amine systems using AMP and DMSO were studied for post-combustion carbon capture, showing low loading solubility of CO2 at lower temperatures for more energy efficiency. Precipitation occurred at 25wt% AMP in DMSO, increasing the overall capacity of the carbon capture system.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Mikhail Krasavin, Alexey Lukin, Ilya Sukhanov, Andrey S. Gerasimov, Savelii Kuvarzin, Evgeniya V. Efimova, Mariia Dorofeikova, Anna Nichugovskaya, Andrey Matveev, Kirill Onokhin, Konstantin Zakharov, Maxim Gureev, Raul R. Gainetdinov
Summary: This study screened an in-house library of compounds for agonistic activity towards TAAR1, resulting in the discovery of a potent TAAR1 agonist. Further in vivo tests demonstrated its efficacy in schizophrenia-related experiments. More preclinical studies are needed to evaluate its potential as a pharmacotherapy option for schizophrenia and other psychiatric disorders.
Article
Engineering, Chemical
Ramesh Tellagorla, Sweta C. Balchandani, Sasidhar Gumma, Bishnupada Mandal
Summary: This study investigates the equilibrium CO2 solubility in a novel activator (TAEA) and its blends with commercial solvents (MDEA and AMP) through experimental measurements and theoretical analysis. The data is modeled using Kent-Eisenberg equilibrium model and neural network model, and C-13 NMR and FTIR-ATR analysis are conducted to understand the reaction products in CO2-loaded solvents.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Inorganic & Nuclear
Yao Tan, Yan Lei
Summary: Five new copper(II), nickel(II), and zinc(II) complexes were successfully synthesized and characterized. The structural analysis revealed that the copper complexes were tetranuclear, the nickel complexes were trinuclear, and the zinc complex was mononuclear. Biological studies showed that the copper and zinc complexes exhibited significant antimicrobial activity against both gram-positive and gram-negative bacteria.
Article
Energy & Fuels
Sang Jun Han, Jung-Ho Wee
Summary: Two CO2 chemical absorption systems using AMP and MEA aqueous solutions were compared in terms of absorption performance and electrical properties. The study found that the absorption capacity in the AMP system increases linearly with C-ini, while the absorption rate in the MEA system is affected by concentration and primary reaction changes. The differences in performance can be attributed to the molecular structures and sizes of the two systems.
Article
Chemistry, Physical
Raosaheb S. Patil, Atul S. Patil, Vikas S. Patil, Pramod P. Mahulikar
Summary: A series of derivatives were synthesized using a novel method, and their spectral properties in different solvents were studied to understand the solvent effect on molecular spectroscopy. A rational relationship between fluorescence quantum efficiencies and molecular electronic energy levels was established through theoretical calculations and experimental studies. Electrochemical methods were used for characterization of the derivatives.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Environmental Sciences
Tianci Li, Congning Yang, Puttipong Tantikhajorngosol, Teerawat Sema, Huancong Shi, Paitoon Tontiwachwuthikul
Summary: New data on the solubility of CO2 in three types of aqueous amine blends were reported in this study. The effect of MEA concentration on CO2 solubility was investigated, and new predictive models were developed. Both models showed good agreement with the experimental data.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
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
Crystallography
Wenxiang Wang, Chao Zhu
Summary: The compound is C22H20N2O, with an orthorhombic crystal system and cell parameters a = 11.677 Å, b = 13.999 Å, c = 11.171 Å, and volume 1826.2 Å^3. It has a space group of Pna2(1) (no. 33) and was studied at a temperature of 293 K.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2021)
Article
Biochemistry & Molecular Biology
Anum Masood, Mohsin Abbas Khan, Irshad Ahmad, Breena, Asim Raza, Farhat Ullah, Syed Adnan Ali Shah
Summary: This study aimed to evaluate a new class of angiotensin-II receptor antagonists based on 2-(N-((2 '-(2H-tetrazole-5-yl)-[1,1 '-biphenyl]-4yl)-methyl)-pentanamido)-3-methyl butanoic acid-based ester derivatives. Chemical characterization of the synthesized compounds was established using FTIR, HNMR, and CNMR techniques. The compounds showed significant antioxidant potentials, antihypertensive properties, urease inhibition, and antibacterial activities. Molecular docking studies were performed to understand the binding details with the receptors of the enzyme's active site.
Article
Chemistry, Applied
Chaomin Li, Fredrik Haeffner, Shujun Wang, Cuicui Yuan, Deju Shang, Xianglin Shi, Bin Ma, Brian T. Hopkins, Erin M. O'Brien
Summary: The paper discusses the route evaluation, process development, and large-scale manufacturing of 4-chloro-N-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine (1). The improved route involves two linear chemical steps and allows for efficient production of the target compound. Density functional theory (DFT) calculations were performed to enhance the understanding of reactivity and selectivity.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2022)
Article
Crystallography
Juan Luo, Jie Wang, Gao-Yan Qiu, Wan-Ming Xiong, Da-Yong Peng
Summary: The crystal structure of the substance is monoclinic, with lattice parameters a = 19.762 Å, b = 24.690 Å, c = 12.106 Å, and β = 113.696 degrees, with a volume of 5408.8 ų at a temperature of 296 K. The data also includes values for R-gt(F) and wR(ref)(F-2).
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2021)
Article
Multidisciplinary Sciences
Saharish Khaliq, Mohsin Abbas Khan, Irshad Ahmad, Imtiaz Ahmad, Javed Ahmed, Farhat Ullah
Summary: The goal of this work was to create structural analogues of a beta lactam antibiotic to combat bacterial resistant strains. The spectroscopic study on compounds M1-8 using FTIR, H-1 NMR, C-13 NMR, and CHNS analyses showed that two molecules, M-2 and M-3, had stronger antibacterial activity. The findings are significant for the search for effective drugs against antibiotic-resistant bacteria.