Article
Chemistry, Physical
Hana M. Abumelha, Abrar Bayazeed, Amerah Alsoliemy, Aisha Hossan, Arwa Alharbi, Fawaz A. Saad, Nashwa M. El-Metwaly
Summary: The synthesized N-(thiazol-2-yl)thiophene-2-carboxamide derivatives showed good antioxidant activity, low energy gap, and strong nonlinear optical properties, making them promising candidates for various applications.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Noudjoud Houas, Salah Chafaa, Nadjib Chafai, Samira Ghedjati, Meriem Djenane, Siham Kitouni
Summary: The new molecule HMHP showed stronger antioxidant activity compared to HIN in most tests, particularly demonstrating better performance in the DPPH test. Theoretical calculations using DFT and FT-IR were in line with experimental results, confirming the effectiveness of the synthesized compounds as antioxidants.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Pratik Nariya, Sonal Thakore
Summary: Vanadium, ruthenium, and nickel complexes were synthesized using a tridentate (ONN) donor mannich base ligand derived from the bioactive molecule lawsone. The structures of these complexes were analyzed using various spectroscopic techniques and computational studies. The binding ability of the complexes with macromolecules and their biological activities were examined, showing notable effects on cancer cells and gram positive bacteria.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Yuzhen Fang, Rongzheng Liu, Shuangxin Dou, Qianqian Shang, Dongting Wang, Xiangjin Kong, Junhai Liu
Summary: A ternary composite photocatalyst consisting of nickel sulfide supported on the heterojunction of ultrathin cadmium sulfide-carbon based on g-C3N4 nanosheets was successfully prepared in a low-temperature aqueous-phase method. The chemical compositions and morphology of the catalyst were confirmed by various characterization techniques. The addition of nickel improved the specific surface area of the catalyst, promoting carrier migration and reactant diffusion. The electron structures analysis revealed the transfer of electrons from g-C3N4 to CdS at the heterojunction interface, with strong interaction between CdS and g-C3N4. The hydrogen evolution performance demonstrated that the ternary composite photocatalyst outperformed the single systems and binary systems. This study provides a solution to the high recombination rate of photo-electrons and holes, as well as the insufficient active sites in single materials.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Nesimi Uludag, Goncagul Serdaroglu
Summary: A novel method for the direct synthesis of 2-(cyanomethyl)indoles was reported, utilizing tetrafluoro-1,4-benzoquinone as the catalyst, enabling one-step synthesis without protecting the indole N-H. This approach not only increased the yield of the products but also explored the antioxidant activity of the intermediates and final products.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Cherifa Boulechfar, Hana Ferkous, Sihem Boufas, Malika Berredjem, Amel Delimi, Souad Djellali, Amel Djedouani, Rania Bahadi, Sihem Laamari, Krishna Kumar Yadav, Byong-Hun Jeon, Wahiba Bouchelaghem, Manawwer Alam, Yacine Benguerba
Summary: In this study, experimental and computational investigations were conducted on a Schiff base and its metal complexes. The azote atom coordinates with the metal according to the FT-IR spectra. Powder X-ray Diffraction experiments show that the crystalline nature of metal complexes is responsible for their enhanced crystallinity. X-ray photoelectron spectroscopy shows that the binding energy of the nitrogen atom's 1s electrons is increased in metal complexes due to complexation. Cyclic voltammograms and DPPH radical scavenging assay demonstrate that transition metal complexes are more effective at scavenging DPPH radicals compared to the free ligand. The theoretical analysis of the investigated complexes provides evidence of the metal's bonding potential in the environment.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Ladan Mohammadi, Reza Fazaeli, Zahra Khodadadi
Summary: Nanostructured SnS was synthesized using a facile microwave-assisted method, and its photocatalytic activity for degrading methylene blue under visible light was evaluated. The SnS showed high efficiency in degrading the pollutant, attributed to its high specific surface area. The adsorption process was described by the Fritz-Schlunder and Baudu models, and the pseudo-second-order adsorption kinetic model showed good agreement with experimental data. The electronic and structural properties of SnS were analyzed using density functional theory, confirming its non-magnetic property.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Spectroscopy
Anshita Varshney, A. P. Mishra
Summary: Cobalt, Copper, Nickel, and Zinc coordinated metal complexes were synthesized using a new thiazole Schiff base ligand. The synthesized compounds were characterized using various spectroscopic techniques and thermal analysis. Theoretical computational studies were performed to investigate the properties of the compounds, including their antimicrobial activity. The synthesized ligand and metal complexes showed good antifungal activity, as well as DNA binding, DNA cleaving, and antioxidant activity. They also exhibited potential fluorescence properties.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Physical
Bruna Nadia N. Silva, Heloise O. Pastore, Alexandre A. Leitao
Summary: This study examines the simulated structures of K-, Mg-, and Ca-magadiites based on Namagadiite. The results show that Na- and K-magadiites have longer coordinated bond lengths and higher basal spacing values, while solids containing divalent cations form the strongest hydrogen bonds between water molecules and layers. Vibrational analysis identifies different stretching and bending motions of water molecules, and simulated-experimental comparison suggests a sequential adsorption of water molecules in dehydrated samples. Thermodynamic analysis confirms the difficulty of achieving complete sodium-potassium exchange, except for Ca-magadiite which can form spontaneously.
APPLIED CLAY SCIENCE
(2023)
Article
Chemistry, Physical
N. Mechbal, M. Bouhrim, M. Bnouham, B. Hammouti, Y. Karzazi, S. Kaya, G. Serdaroglu
Summary: This study aims to promote the use of Cistus monspeliensis L (CM) plant extract as a green inhibitor for mild steel in hydrochloric acid solution, providing high performance at a lower cost. The study evaluated the inhibition efficiency, antioxidant activity, and properties of the inhibitors using various analytical methods, discussing the reactivity performances of phenolic and flavonoid contents in the extract.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Applied
Camila R. S. Bertallo, Leonardo S. Berlim, Danilo S. Olivier, Thais R. Arroio, Amando S. Ito, Giuliano C. Clososki
Summary: In this study, 20 novel fluorescent 5-carbonylated 2-arylindolizines derivatives were synthesized through the reaction between organolithium intermediates with different electrophiles. The photophysical properties, including electronic absorption spectra, fluorescence emission, quantum yield, and Stokes shift, were evaluated to investigate the effects of substituents. The results showed variations in absorbance peaks, fluorescence emission, decay times, quantum yield values, and Stokes shifts, with DFT calculations also performed for further analysis.
Article
Chemistry, Inorganic & Nuclear
S. Sukkur Saleem, M. Sankarganesh, P. Adwin Jose, J. Dhaveethu Raja
Summary: This study synthesized and characterized a morpholine-based Schiff base ligand and its metal(II) complexes. They exhibited good free radical scavenging and antimicrobial activities, with the metal complexes showing stronger antimicrobial effects. In addition, L and its complexes may interact with DNA through an intercalative mode.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Goncagul Serdaro Glu, Nesimi Uludag, Paramasivam Sugumar, Parthasarathi Rajkumar
Summary: The study investigated the spectroscopic characteristics, antioxidant activity, and molecular docking of tubifolidine, a type of Strychnos indole alkaloid. The results showed that tubifolidine exhibited strong antioxidant activity and possibly interacted with the topoisomerase receptor. Additionally, calculations on the molecular structure and spectroscopic properties revealed low stability of tubifolidine and a dominant electro-donating power over electroaccepting capability.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Steven Giese, Katrin Klimov, Antal Mikehazi, Zsolt Kelemen, Daniel S. Frost, Simon Steinhauer, Peter Mueller, Laszlo Nyulaszi, Christian Mueller
Summary: The yet unknown 2-amino-substituted lambda(3),sigma(2)-phosphinines are phosphorus-containing aniline derivatives. Our experimental and theoretical investigations reveal that 2-aminophosphinines are missing links in the series of known 2-donor-functionalized phosphinines. These compounds show high pi-density at the phosphorus atom due to strong interaction with the pi-donating NR2 group.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Inorganic & Nuclear
Athulya Das, Ravichellam Sangavi, Shanmugaraj Gowrishankar, Rajesh Kumar, Muniyandi Sankaralingam
Summary: WHO has listed antimicrobial resistance as a top ten global public health issue. This study focuses on developing efficient antimicrobial drugs using earth-abundant transition-metal complexes. Aminoquinoline-based copper-(II) pincer complexes 1-3 were designed, synthesized, and characterized, showing low toxicity and effective inhibition of Gram positive MRSA and Candida albicans. Complex 2 exhibited promising antimicrobial activity against MRSA, with better performance than kanamycin. In silico studies indicated inhibition of cell wall biosynthesis and dysfunction of antibiotic sensing proteins as the most probable mechanism of action.
INORGANIC CHEMISTRY
(2023)