Article
Chemistry, Physical
Srikrishna Pramanik, Laxmikanta Khamari, Saptarshi Mukherjee
Summary: Monitoring DNA dynamics in solution has great potential for developing new nucleic acid-based sensors and devices. This study utilizes spectroscopic approaches to differentiate single nucleotide mismatches and quantifies metal ions at lower concentrations, providing insights into mismatch-dependent metal-DNA interactions. Additionally, the study introduces Thioflavin T as a new fluorophore for monitoring the dynamics of DNA-metal composites.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Vishwesh Mishra, Nitish Kumar Sinha, Natesan Thirupathi
Summary: By reacting with Hg(OC(O)CF3)(2), separate reactions of cycloplatinated 2-tolyl- and 2-anisylguanidine complexes yielded a one-dimensional coordination polymer and a discrete tetrametallic complex with different structures and properties. The formation mechanisms and structural characteristics of these products were explained in detail, with important characterization information provided by multinuclear NMR spectroscopy and single-crystal X-ray diffraction studies.
INORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Katharigatta N. Venugopala, Sandeep Chandrashekharappa, Pran Kishore Deb, Christophe Tratrat, Melendhran Pillay, Deepak Chopra, Nizar A. Al-Shar'i, Wafa Hourani, Lina A. Dahabiyeh, Pobitra Borah, Rahul D. Nagdeve, Susanta K. Nayak, Basavaraj Padmashali, Mohamed A. Morsy, Bandar E. Aldhubiab, Mahesh Attimarad, Anroop B. Nair, Nagaraja Sreeharsha, Michelyne Haroun, Sheena Shashikanth, Viresh Mohanlall, Raghuprasad Mailavaram
Summary: A series of 1,2,3-trisubstituted indolizines were screened for anti-tubercular activity, showing effectiveness against susceptible and multidrug-resistant strains. In silico docking study identified potential molecular targets for the indolizines, while safety studies demonstrated their non-toxic nature. The findings suggest that these compounds could serve as promising inhibitors for combating drug-sensitive and drug-resistant MTB strains.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2021)
Article
Polymer Science
Xiang Shi, Pierre-Antoine Albouy, Pascale Launois
Summary: This study presents a different view that the evolution of X-ray patterns reflects changes in crystalline texture rather than polymorphism. This enables a quantitative description of X-ray fiber patterns but also highlights some fundamental structural issues.
Article
Chemistry, Organic
D. Aerssens, L. Miret-Casals, D. Gomez, D. Sousa-Neves, Y. Levy, M. De Vleesschouwer, A. Manicardi, A. Madder
Summary: We report the co-existence of parallel and antiparallel conformations of E3/K3 and E3/R3 heterodimeric coiled-coil systems in solution for the first time. Introducing a furanylated amino acid in the (EIAALEK)(3) sequence enabled the freezing of the respective coiled-coil complexes through photo-induced covalent crosslinking. Computational simulations and fluorescence experiments based on pyrene-pyrene stacking further confirmed the presence of both conformations in solution.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Applied
Johanna M. Alaranta, Khai-Nghi Truong, Maria Francisca Matus, Sami A. Malola, Kari T. Rissanen, Sailee S. Shroff, Varpu S. Marjomaki, Hannu J. Haekkienen, Tanja M. Lahtinen
Summary: In recent years, there has been a significant increase in the studies of RNA and the development of RNA based vaccines. While cyanine dyes are commonly used for studying nucleic acids, there is a growing need for better and brighter dyes. In this study, the structure of SYBR green-related cyanine dyes was systematically studied to gain a deeper understanding of their interactions with biomolecules, particularly nucleic acids, and the components that contribute to their strong fluorescence. Through synthesis, evaluation, and computational modeling, new dyes with enhanced photophysical properties were discovered, and their interactions with DNA were investigated using molecular docking and dynamics calculations.
Article
Chemistry, Multidisciplinary
Nikita A. Korobeynikov, Andrey N. Usoltsev, Boris A. Kolesov, Pavel A. Abramov, Pavel E. Plyusnin, Maxim N. Sokolov, Sergey A. Adonin
Summary: This article describes a chlorine-rich complex where dichlorine units are incorporated into a chlorometalate matrix via halogen bonding. The complex exhibits relatively high thermal stability with the release of Cl-2 at temperatures above 180 degrees Celsius.
Article
Chemistry, Physical
Filiz oeztuerk
Summary: A new cadmium(II) complex was synthesized by reacting the nitrogen donor ligand sulfamethox-azole with the ligand 2,2'-bipyridine. The structure of the complex was determined using single-crystal X-ray diffraction. The complex exhibited octahedral geometry with coordination of the Cd(II) ion by monodentate sulfamethoxazole anions and bidentate bipy ligands. Theoretical calculations and experimental data confirmed the agreement of observed and calculated IR frequencies. The intermolecular interactions within the crystal structure and the thermal behavior of the compound were further studied.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Richa, Sunil Kumar, Jayant Sindhu, Poonam Choudhary, Sundeep Jaglan, Ennio Zangrando, Rakesh Kumar, Subash C. Sahoo, Vinod Kumar, Surinder K. Mehta, Ramesh Kataria
Summary: A copper (II) complex with a novel ligand possessing antibacterial activity was synthesized and characterized in this study. The crystal structure and chemical properties of the complex were analyzed, revealing its potential applications in pathogenic Gram-positive and Gram-negative bacteria.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Tarun Kumar Pal, Subrata Paul, Jewel Hossen, Ashraful Alam, Chanmiya Sheikh, Arkajyoti Paul, Ryuta Miyatake
Summary: A new crystal compound, Compound 1, was characterized and studied for its structure, optical properties, and molecular geometry. Experimental and calculated data were compared and discussed, revealing the compound's keto-amine form and stabilizing crystal structure.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Cen Chen, Ziyuan Fang, Zhen Huang
Summary: Crystallization phasing and obtaining high-quality crystals are major challenges for X-ray crystallographic analysis of nucleic acids. In this study, the authors addressed these challenges by incorporating selenium atoms into DNA duplexes, which resulted in larger and higher quality crystals compared to standard DNA crystals. These findings provide a simple strategy to overcome crystallization challenges in nucleic acid crystallography.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Materials Science, Ceramics
Nitin Kumar, Alok Shukla, Nripesh Kumar, Ravi Agarwal, R. N. P. Choudhary
Summary: The synthesis and study of polycrystalline Bi(Ni2/5Ti2/5Fe1/5)O3 nano-ceramic showed that replacing NiTiO3 into BiFeO3 enhanced properties and reduced electrical leakage current. The average crystallite size was calculated to be 29 nm, with uniform grain distribution on sample surfaces. Dielectric and impedance spectroscopy parameters at different temperatures and frequencies offer promising features for further device applications.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
P. Karthiga Devi, P. Viswanathan, A. Ali Fathima Sabirneeza
Summary: A slow evaporation method was used to prepare an organic single crystal of PBTCA, which was characterized by various analytical and spectroscopic techniques. The crystal showed good optical properties, thermal stability, and response to an electric field. DFT studies were also performed for the compound.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Ziyan Lv, Rukang Li
Summary: In this study, a tantalum phosphate crystal Na11Ta8P7O43 with a moderate second harmonic response was synthesized using self-fluxes method. The crystal was found to have unique structural features and moderate nonlinear effects. It exhibits phase-matchable second harmonic generation, a shorter cutoff edge than known materials LiTaO3 and KTiOPO4, and high transmittance in the visible to near infrared band, suggesting its potential as a nonlinear optical crystal.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Ziyan Lv, Rukang Li
Summary: In this study, a tantalum phosphate crystal with a moderate second harmonic response and unique structural features was successfully synthesized. It has the potential to serve as a nonlinear optical crystal.
DALTON TRANSACTIONS
(2023)