Article
Thermodynamics
Kosuke Shido, Mariko Noguchi, Ami Hayashi, Atsushi Nagoe, Hiroki Fujimori
Summary: The effect of precooling treatments on the phase behaviors of OHMBBA was investigated using DSC and DSC-XRD measurements. DSC-Raman spectroscopy was also performed to distinguish various crystalline phases and a glassy N phase. The results demonstrated the usefulness of DSC-Raman spectroscopy in detecting phase transitions and identifying phases.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Crystallography
Valeri V. Mossine, Steven P. Kelley, Thomas P. Mawhinney
Summary: The substance is triclinic with cell parameters: a = 9.0752(2) angstrom, b = 9.1969(2) angstrom, c = 9.9519(2) angstrom, alpha = 112.7059(8)degrees, beta = 92.4309(8)degrees, gamma = 115.2776(7)degrees. The volume is 671.16(3) angstrom(3) and the space group is P (1) over bar (no. 2) with 2 molecules per unit cell. The R-factor is 0.0347 and the weighted R-factor is 0.1113, with a measurement temperature of 100 K.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2022)
Article
Multidisciplinary Sciences
Tarun Kumar Pal, Mohammad Abdul Mumit, Jewel Hossen, Subrata Paul, Md Ashraful Alam, Md Al-Amin-Al-Azadul Islam, Md Chanmiya Sheikh
Summary: A new Schiff base compound was successfully synthesized and characterized through experimental and theoretical studies, showing low chemical reactivity and high kinetic stability. In silico studies predicted the absorption, distribution, metabolism, and excretion profiles of the compound, while molecular docking results suggested its potential as an antituberculosis agent compared to ethambutol.
Article
Crystallography
Sheng-Ting Zhang, Fei Zou, Ni Lai, Lin Yuan, Zhong-Yan Li
Summary: This is an article about the crystal structure of C19H18N2O4, which provides information about its cell parameters and structural features.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2023)
Article
Chemistry, Inorganic & Nuclear
Li Zhang, Zhonglu You, Heng-Yu Qian
Summary: A novel tetranuclear oxidovanadium(V) complex has been synthesized and characterized. The complex showed effective catalytic efficiency in the oxidation of various aliphatic and aromatic substrates.
INORGANIC AND NANO-METAL CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Aleksandra M. Dabrowska, Paulina Mech-Warda, Michal Wera, Marta Domzalska, Mariusz Makowski, Agnieszka Chylewska
Summary: A new Schiff base molecule, ScB-SAM, was synthesized and its solid state keto-enol tautomerism was found to exist as a complex equilibrium system. Experimental results were supported by computational calculations. The stability of complexes formed between ScB-SAM and trivalent metal ions in water solution was also confirmed through spectrophotometric titration methods.
Article
Chemistry, Physical
Gajanan Dongare, Anand Aswar
Summary: A new hydrazone Schiff base N'-(2-hydroxy-3-methoxybenzylidene)-4-oxopiperidine-1-carbohydrazide (H2L) and its mononuclear metal complexes [Mn(HL)(Cl)(H2O)2], [Co(HL)(Cl)(H2O)2], [Ni(HL)(Cl)(H2O)2] and [Cu(HL)(Cl)(H2O)2] were synthesized and characterized. The complexes showed good absorption properties and exhibited fluorescence emission. The thermal stability order of the complexes was determined as Ni(II) < Cu(II) < Mn(II) < Co(II). The metal complexes showed higher antibacterial and antifungal activity compared to the ligand.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Medicinal
Muhammad Shah, Muhammad Saeed Jan, Abdul Sadiq, Sara Khan, Umer Rashid
Summary: Metabolic disorders like Diabetes mellitus (DM) can be treated by targeting abnormally expressed key enzymes. A vanillin-thiazolidine-2,4-dione hybrid compound was reported as a multitarget inhibitor, but only showed good in-vitro DPP-4 inhibition. Current research aims to optimize this lead compound for diabetes treatment by manipulating multiple pathways simultaneously.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Zaixiang Zhang, Yulong Zhang, Qiuxiang Yin, Ling Zhou, Wei Du
Summary: The polymorphic transition behavior of two forms of N-(4'-chlorosalicylidene)-4-chloroaniline in solution-state and solid-state was investigated in this study. It was found that the two forms exhibited different transition patterns during heating and recrystallization, as well as different crystallization tendencies and speeds in solution. Molecular conformation analysis revealed lower energy conformers and crystal parking in one form, indicating a priority in solution crystallization.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Aihua Gao, Meishan Wang
Summary: The ultrafast photoisomerization of N-(2-methoxybenzylidene)aniline in the gas phase excited into the second singlet state was investigated via nonadiabatic surface-hopping dynamics calculations. Two trans isomers were considered with three conical intersections playing key roles in the isomerization process, leading to the formation of different cis isomers.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Biochemistry & Molecular Biology
Artem S. Agarkov, Anna A. Nefedova, Elina R. Gabitova, Dilyara O. Mingazhetdinova, Alexander S. Ovsyannikov, Daut R. Islamov, Syumbelya K. Amerhanova, Anna P. Lyubina, Alexandra D. Voloshina, Igor A. Litvinov, Svetlana E. Solovieva, Igor S. Antipin
Summary: A series of new 2-hydroxy-3-methoxybenzylidenethiazolo[3,2-a]pyrimidines with different aryl substituents at the 5 position were synthesized and characterized. The role of hydrogen bonding in chiral discrimination of these compounds in the crystalline phase was investigated. The cytotoxicity of these compounds against various tumor cells in vitro was also studied, showing high efficiency against cervical adenocarcinoma cells and low cytotoxicity against normal liver cells.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Analytical
Nilima Patil, R. B. Dhake, Umesh Fegade, Kannan Gokulakrishnan, Chennan Ramalingan, Inamuddin, Tariq Altalhi, Suvardhan Kanchi
Summary: A novel Schiff base, S1, was synthesized and found to exhibit fair selectivity and sensitivity towards Ni2+. It showed no significant interference from co-existing cations and anions. The complexation ratio of S1 and Ni2+ was confirmed as 1:1, and the binding constant (Kb) was calculated. A paper test strip kit using S1 was successfully designed for the recovery of Ni2+ from real water samples in the environmental monitoring assessment laboratory.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Hakan Bulbul, Sehriman Atalay, Aliye Gediz Erturk
Summary: A novel thiosemicarbazone derivative, N-(3-chloro-2-methyl phenyl)-2-(4-methoxybenzylidene)hydrazine-1-carbothioamide (3), was synthesized and purified by condensation of 4-methoxy benzaldehyde with (3-chloro-2-methyl phenyl)-3-thiosemicarbazide. The structure of the synthesized compound was elucidated using various spectroscopic methods and compared with calculated results. Additionally, MEP, FMO, and Hirshfeld analysis, as well as thermal and nonlinear optical properties, were investigated.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
H. M. Pallavi, Fares Hezam Al-Ostoot, Hamse Kameshwar Vivek, Shaukath Ara Khanum
Summary: New derivatives of N'(2-phenoxyacetyl)nicotinohydrazide and N'(2-phenoxyacetyl)isonicotinohydrazide were designed and synthesized as potent anti-inflammatory and analgesic agents. Among them, compound (10e) showed the highest COX-1 inhibition, while compounds (9e) and (10e) exhibited the highest COX-2SI. Molecular Docking Studies were conducted to examine the three-dimensional binding of the ligand to the targeted enzymes.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Wenjie Xue, Yaling Wang, Xu Lian, Xueyao Li, Jing Pang, Johannes Kirchmair, Kebin Wu, Zunsheng Han, Xuefu You, Hongmin Zhang, Jie Xia, Song Wu
Summary: Emerging drug resistance highlights the need for new and effective antibiotics. This study used a 4-hydroxy-2-quinolone fragment to search for potential GyrB inhibitors and identified a novel and potent inhibitor, f1, with promising activity against drug-resistant bacteria. Further structural modification resulted in two more potent GyrB inhibitors, f4 and f14. Compound f1 exhibited superior antibacterial activity against MRSA, low toxicity to cells, and metabolic stability.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2022)