Review
Chemistry, Applied
Ivan J. Bazany-Rodriguez, Virginia Gomez-Vidales, Joanatan M. Bautista-Renedo, Nelly Gonzalez-Rivas, Alejandro Dorazco-Gonzalez, Pandiyan Thangarasu
Summary: A new ruthenium complex [RuL(PPh3)2][PF6] was synthesized and characterized. It was used as a molecular sensor for the quick and selective detection of ethyl parathion (EP) in aqueous solution. The complex was found to efficiently detect EP without interference from other pesticides. The fluorescence intensity of the complex decreased linearly with the concentration of EP, with a limit of detection of 2.05 μM.
Article
Engineering, Environmental
Maowei Luo, Xiaowei Hu, Zhu Fan, Shuaiming Ma, Guangtao Song, Liwu Jin, Chao Jie, Shengping Wang
Summary: The Heterogenized Ru (III) catalyst is synthesized by immobilizing molecular RuCl3 on a pyridine-functionalized covalent triazine framework (PY-CTF). The N sites in the PY-CTF support effectively donate electrons to the Ru (III), resulting in a catalyst with favorable catalytic activity. The as-synthesized RuCl3@PY-CTF catalyst exhibits a high turnover number (TON) of 2067 in 2 h for the hydrogenation of CO2 to formate.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Applied
Ismail Althagafi, Nashwa El-Metwaly
Summary: Five novel co-sensitizers were synthesized and studied for their co-sensitization effect with standard Ru(II) dye (N-719) in dye-sensitized solar cells (DSSCs). Among them, IS-11 and IS-12 showed the highest power conversion efficiencies of 8.32% and 8.09%, respectively, when co-sensitized with N-719. This improved performance can be attributed to their maximum J(SC) values, indicating the importance of efficient co-sensitizers in enhancing DSSC performance.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Polymer Science
Dejene Assefa Anito, Tian-Xiong Wang, Hai-Peng Liang, Xuesong Ding, Bao-Hang Han
Summary: The transformation of organic molecules into compounds of interest by the utilization of solar energy is an innovative approach that is attracting a lot of attention from material scientists. Introducing potent chelation sites onto a porous matrix is imperative for effectively recycling cost-prohibitive catalysts.
Article
Biochemistry & Molecular Biology
Seyda Aydogdu, Arzu Hatipoglu
Summary: This study investigated the degradation reaction of ampicillin with hydroxyl radical using the density functional theory (DFT) method. The most probable reaction path was found to be the addition of the hydroxyl radical to the carbonyl group of the beta-lactam ring. The overall reaction rate constant was calculated to be 1.36 x 10(11) M-1 s(-1). The toxicity of the degradation product was found to be higher than that of ampicillin.
JOURNAL OF MOLECULAR MODELING
(2023)
Article
Chemistry, Inorganic & Nuclear
Jan Chyba, Anna Hruzikova, Michal Knor, Petra Pikulova, Katerina Markova, Jan Novotny, Radek Marek
Summary: In recent years, there has been extensive research on the antitumor and antimetastatic activities of transition-metal coordination compounds. This study focused on synthesizing and investigating the structure, stability, and NMR properties of Ru(III) and Rh(III) coordination compounds. By analyzing NMR spectra and using relativistic density functional theory (DFT), the effects of various factors on the hyperfine NMR shifts of para-magnetic Ru(III) compounds were examined. The study also highlighted the significant influence of solvents on hyperfine NMR shifts and discussed the broader implications for paramagnetic NMR spectroscopy of transition-metal complexes.
INORGANIC CHEMISTRY
(2023)
Article
Energy & Fuels
Haoyu Tian, Jin Tang, Shirui Yuan, Laishun Yang, Fengyin Wang, Guangxi Yue, Cuiping Wang
Summary: Composite phase change materials composed of hydrated salts for heat storage are important, and the carrier plays a decisive role in preventing phase separation. By mixing sawdust into municipal sludge, hydrolysis residue was prepared and used as a carrier for loading sodium acetate trihydrate. The study investigates the influence of hydrolysis temperature and pressure on the characteristics of the residue carrier and the heat storage performance of the composite phase change materials.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Chemistry, Physical
Hong-Yan Ma, Gui-Chang Wang
Summary: This study reveals a strong relationship between the Ru-Ru coordination number and the CO2 methanation reactivity/selectivity. The selectivity for CH4 increases as the Ru coordination number increases from 3 to 5.5, with Ru4/Ru(0001) showing almost 100% selectivity for CH4. However, the selectivity for CO is higher on Ru ensembles with lower coordination numbers. Metal nanoparticles with more five-coordinated Ru-Ru configurations are suggested to be beneficial for CO2 methanation.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Li-Xiang Guo, Yao Gao, Pei Zhang, Jian-Hui Yang, Bin Liu
Summary: A family of edge-sharing bi-octahedral (ESBO) diruthenium(III,III) compounds has been prepared by reacting Ru-2(R'CO2) (+)(4). These compounds have a similar ESBO structure, with the Ru atoms bridged by two mu-O2CR' and two mu-OR in a trans manner, and each Ru atom coordinated with an eta(2)-L ligand. The Ru-Ru distances fall in the range of 2.4560(9)-2.4771(4) angstrom. The compounds exhibit strong absorption bands at around 345 cm(-1) in the Raman spectrum, which can be assigned to the stretching of the Ru-Ru single bond.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Stefano Scoditti, Gloria Mazzone, Emilia Sicilia
Summary: Gold(III) complexes have been identified as new versatile and efficacious metal containing anticancer agents. This study focuses on a new series of cyclometalated Au(III)-hydride complexes proposed as photoactivatable anticancer prodrugs. The computational exploration of photophysical properties and reactivity of the first member of the series, named 1 a, has revealed interesting insights into its potential as a controlled detachment of the hydride ligand through photoactivation pathways.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Thomas Eichhorn, Franz Kolbe, Stefan Misic, Dusan Dimic, Ibrahim Morgan, Mohamad Saoud, Dejan Milenkovic, Zoran Markovic, Tobias Rueffer, Jasmina Dimitric Markovic, Goran N. Kaluderovic
Summary: Ruthenium(II)-arene complexes have attracted attention for their potential use in cancer therapy. Two new complexes were characterized by IR, NMR, and elemental analysis. The crystal structure and intramolecular interactions of one complex were determined using X-ray crystallography and Hirshfeld surface analysis. Theoretical analysis was performed on the cationic part of the complexes, and the chosen level of theory was validated by reproducing experimental spectra. The compounds exhibited radical scavenging activity and high activity against prostate and colon cancer cell lines.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Sirilak Kongkaew, Maneeporn Puripat, Thanawit Kuamit, Waraporn Parasuk, Vudhichai Parasuk
Summary: In this study, DFT calculations were used to gain theoretical insight into the mechanism of CO2 conversion to methanol. The tandem catalysis of the Ru-Macho-BH complex and ethylenediamine (EDA) was found to play a crucial role in the process. Among the three possible routes explored, Route B was proposed as the most favorable route for CO2 conversion to methanol due to its lowest energetic span.
MOLECULAR CATALYSIS
(2022)
Article
Chemistry, Physical
Ludmila Cristine Abreu de Azeredo, Victor Hugo Malamace da Silva, Marcelo Monteiro Marques, Glaucio Braga Ferreira, Sergio de Paula Machado
Summary: This study presents a complete characterization of tris(O-propryldithiocarbonate)cobalt(III) using experimental and theoretical methods, confirming its octahedral structure and color properties. Comparison with the O-ethyldithiocarbonate analog complex showed good agreement between experimental and calculated properties. The analysis included IR, Raman, UV-Vis spectra, and crystallographic analysis.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Irena Kostova, Jan Mojzis, Vasile Chis
Summary: The neodymium(III) complex of orotic acid was synthesized and its structure was determined. Vibrational analysis confirmed the suggested metal-ligand binding mode and significant differences were observed in the spectra of the complex compared to the ligand. Cytotoxicity testing on tumor cell lines revealed that the compounds exerted cytotoxic activity.
Article
Chemistry, Applied
Imtiyaz Yousuf, Masrat Bashir
Summary: A new organoruthenium(II) complex was designed, synthesized, and evaluated for cytotoxicity. The complex exhibited significant intermolecular interactions in the crystal structure, and showed preferential affinity toward minor groove in DNA photocleavage activity. Cytotoxic studies revealed moderate but selective activity against pancreatic and cervical cancer cell lines.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
