Article
Engineering, Chemical
Lucas Paul, Geradius Deogratias, Daniel M. Shadrack, Celestin N. Mudogo, Kelvin M. Mtei, Revocatus L. Machunda, Andrew S. Paluch, Fidele Ntie-Kang
Summary: This study investigates the physical properties of linamarin and how different solvents affect these properties. The results show that water exhibits the strongest interaction with linamarin, and DMSO is the best solvent.
Article
Materials Science, Multidisciplinary
Hailin Zhu, Xiaofen Li, Xiaomeng Lu, Xiaojie Chen, Jun Li, Xinghua Han, Xuemei Ma, Zhiyong Hu
Summary: The study found that both CHMT and CHT + MBT exhibited strong inhibition effects on the corrosion of carbon steel, indicating synergistic action between CHT and MBT. The mechanisms of intramolecular and intermolecular synergistic effects were proposed in the study.
Article
Chemistry, Physical
Luying Song, Biao Yang, Xing Fan, Yahui Mao, Huan Shan, Junbo Wang, Kaifeng Niu, Zhengming Hao, Zhiwen Zeng, Youyong Li, Aidi Zhao, Haiping Lin, Lifeng Chi, Qing Li
Summary: In this study, large-scale self-assembly of atomically precise organometallic supramolecules was achieved through cascaded on-surface chemical reactions and intermolecular interactions. Supramolecules with defined size and shape were built through intramolecular reactions and intermolecular metal coordination, followed by the formation of ordered two-dimensional arrays with the assistance of Br atoms. The mechanism of this process was investigated from the perspectives of thermodynamics and kinetics.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Luying Song, Biao Yang, Xing Fan, Yahui Mao, Huan Shan, Junbo Wang, Kaifeng Niu, Zhengming Hao, Zhiwen Zeng, Youyong Li, Aidi Zhao, Haiping Lin, Lifeng Chi, Qing Li
Summary: This study demonstrates the self-organization of atomically precise organometallic supramolecules through cascaded on-surface chemical reactions. The combination of intra- and inter-supramolecular interactions allows for the construction of supramolecules with defined size and shape. With the assistance of C-H···Br interactions, well-ordered two-dimensional arrays can be formed. This research is important for understanding and exploring the mechanism of self-assembled supramolecules.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Simona Baroni, Irene Maria Carnovale, Carla Carrera, Mariangela Boccalon, Nicol Guidolin, Nicola Demitri, Luciano Lattuada, Fabio Tedoldi, Zsolt Baranyai, Silvio Aime
Summary: The presence of two diastereoisomers in the solution of Eu(HP-DO3A) suggests the source of mobile protons for the CEST effect. The intramolecular catalysis of prototropic exchange was observed in two novel Eu-III complexes containing an amino or a carboxylate functionality. New insights into the role of intramolecular proton exchange on CEST properties have been gained through this study.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Zeno B. G. Fickenscher, Peter Loennecke, Anna K. Mueller, Wolfgang Baumann, Barbara Kirchner, Evamarie Hey-Hawkins
Summary: The catalytic activity of heterobimetallic complexes [M-0;Ir-III] (M = Cr, Mo, W) in homogeneous CO2 hydrogenation was studied. [Mo-0;Ir-III] showed the highest activity and an increase in reactivity compared to its monometallic counterparts. The homogeneous nature of the reaction was confirmed and the mechanism was explained by Pauli repulsion lowering the transition state of hydride transfer to CO2.
INORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Yang Liu, Hongzhi Hu, Huanhuan Qi, Meixia Lv, Zunqi Liu
Summary: A novel hydrogen-bonded supramolecular crown-ether-based inclusion compound was obtained by evaporation in a methanolic solution. The compound showed significant dielectric anisotropy in the three axes of the crystal, and its structure and properties were characterized using various methods.
Article
Chemistry, Multidisciplinary
Sudip Pan, Sai Manoj N. V. T. Gorantla, Devaborniny Parasar, H. V. Rasika Dias, Gernot Frenking
Summary: The synthesis of copper and gold complexes containing homoleptic carbonyl cations is reported, along with structural data on rare trimetallic complexes. Silver and gold cations exhibit linear structures, while copper cations show a bending angle due to strong interaction with anions. Fe(CO)(5) ligands adopt different orientations in the cations, with distinct symmetry for each metal cation. Bond dissociation energies and orbital interactions between the ligands and metal cations are also analyzed.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Inorganic & Nuclear
Sanya Pachisia, Ram Kishan, Samanta Yadav, Rajeev Gupta
Summary: This study reports the synthesis and characterization of two half-sandwich Ru(II) complexes supported with amide-phosphine based ligands, which serve as significant catalysts for the borohydride mediated reduction of various nitro-substrates. Mechanistic studies have confirmed the intermediacy of [Ru-H] in the reduction and asserted the involvement of several organic intermediates during the catalysis.
INORGANIC CHEMISTRY
(2021)
Review
Chemistry, Inorganic & Nuclear
Sudhanshu Naithani, Tapas Goswami, Franck Thetiot, Sushil Kumar
Summary: This review highlights the major and recent developments in the field of luminescent anion sensing probes based on imidazo-phen scaffolds using transition metal and lanthanide complexes. The review also discusses the challenges and knowledge gaps in the field.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Environmental Sciences
Prashant Bhardwaj, G. P. Biswas, Nibedita Mahata, Susanta Ghanta, Biswanath Bhunia
Summary: The goal of this study is to investigate the protein binding patterns of TCS and proteins from various cancer signaling pathways. Through molecular docking and molecular dynamics simulation, it was found that AIF and JNK proteins may play a key role in TCS-mediated reactions.
Article
Environmental Sciences
Xiaoyue Huang, Minghui Chang, Lei Han, Jie Li, Shi-Wei Li, Hong-Bo Li
Summary: This study assessed the bioaccessibility of lead (Pb) in 4 commonly used standard reference materials (SRMs). The results showed that the measurements of Pb bioaccessibility were repeatable and reproducible within and between laboratories. The use of these SRMs as quality control samples is reliable for Pb bioaccessibility analysis.
Article
Plant Sciences
Alessandra Zombardo, Stefano Meneghetti, Giacomo Morreale, Antonio Calo, Angelo Costacurta, Paolo Storchi
Summary: This study used molecular markers to investigate the biotypes and genetic variability of two common grape varieties in Italy. The results identified three different genotypes belonging to Sangiovese, Sanforte, and Montepulciano. The study demonstrated the importance of DNA marker-based methods for varietal identification and studying genetic variability in grapevines.
Article
Chemistry, Physical
Maria C. Buta, Bogdan Frecus, Mirela Enache, Ionel Humelnicu, Ana M. Toader, Fanica Cimpoesu
Summary: The study investigated inter-molecular binding in phenalenyl dimers using computational methods and phenomenological models, revealing an interesting pattern not discovered in previous reports. The research provides insight for potential applications in spintronics and organic magnetism, opening up new pathways for realizing such promises.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Physical
Riju Karmakar, Subhojyoti Sinha, Amit Kumar Das, Bilwadal Dutta, Subhamay Pramanik, Probodh Kumar Kuiri, Ajit Kumar Meikap
Summary: In this article, the water molecules mediated charge transportation kinetics in Polyvinyl alcohol (PVA)-Cobalt Oxide (CO3O4) flexible nanocomposite films were explored. The comprehension of surface and interface chemistry is crucial for understanding the chemical interactions at the aqueous hydrophilic PVA-Co3O4 interface. The dissociation of water molecules following the fragmentation of inter/intramolecular dangling bonds is correlated with the water diffusion kinetics and saturation in the sorption capacity of water-swollen PVA-Co3O4 nanocomposite films. The trap-states development due to the interfacial charge accumulation, after absorption of water molecules, are favourable for the trap-assisted space charge limited current conduction (TA-SCLC) mechanism and increase current density.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Organic
Ramaiah Konakanchi, Prashanth Jyothi, Laxma Reddy Kotha
Summary: In this study, the FT-Raman and FTIR spectra of synthesized molecules were characterized using density functional theory. The results showed that the Cu(II)APC complex exhibited significant anti-inflammatory activity and had good binding energy values against the target protein COX-2.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Chemistry, Organic
Ramamurthy Katikireddy, Ramu Kakkerla, M. P. S. Murali Krishna, Gandamalla Durgaiah, Y. N. Reddy
LETTERS IN ORGANIC CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Moideen Musthafa, Ramaiah Konakanchi, Rakesh Ganguly, Perumal Pandikumar, Anandaram Sreekanth
RESEARCH ON CHEMICAL INTERMEDIATES
(2020)
Article
Biochemistry & Molecular Biology
Moideen Musthafa, Ramaiah Konakanchi, Rakesh Ganguly, Chandrasekar Balachandran, Shin Aoki, Anandaram Sreekanth
Summary: A series of aroyl selenourea ligands and their Ru(II) complexes were synthesized and characterized, with the molecular structures confirmed by single XRD crystal method. The cytotoxic study revealed that complexes 1 and 2 showed promising cytotoxic activity against HeLa S3 cells, while the in vitro DNA interaction studies indicated an intercalative mode of binding in the order of 1 > 2 > 3.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Inorganic & Nuclear
V. O. Yadhukrishnan, Mathiyan Muralisankar, Ramachandran Dheepika, Ramaiah Konakanchi, Nattamai S. P. Bhuvanesh, Samuthira Nagarajan
JOURNAL OF COORDINATION CHEMISTRY
(2020)
Article
Chemistry, Organic
Ramamurthy Katikireddy, Ramu Kakkerla, M. P. S. Murali Krishna, Gandamalla Durgaiah, Narasimha Reddy Yellu
Summary: A series of compounds were synthesized and evaluated for their antioxidant and anti-inflammatory activities. Compounds 6b and 6e showed potential antioxidant and anti-inflammatory activities, which were further supported by molecular docking studies revealing their binding pattern in the active site of COX-2.
LETTERS IN ORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Ramaiah Konakanchi, Geetha Swarupa Pamidimalla, Jyothi Prashanth, Togati Naveen, Laxma Reddy Kotha
Summary: In this study, complexes of a specific ligand with cobalt, nickel, copper, zinc, and palladium were synthesized and characterized. Experimental and quantum chemical calculations were used to determine their structures, properties, and activities. The results showed that two of the complexes exhibited significant anticancer activity.
Article
Chemistry, Inorganic & Nuclear
M. Lavanya, J. Haribabu, K. Ramaiah, C. Suresh Yadav, Ramesh Kumar Chitumalla, Joonkyung Jang, R. Karvembu, A. Varada Reddy, M. Jagadeesh
Summary: In this study, several heterocyclic thiophene thiosemicarbazones and their metal complexes were synthesized and characterized, including crystal structures, EPR spectra, and DNA binding properties. Additionally, the anticancer activity of these complexes was assessed against different cancer cell lines, showing potential for further development in cancer treatment.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Organic
Natte Kavitha, Munagala Alivelu, Ramaiah Konakanchi
Summary: The optimal structure and properties of 2-mercapto benzimidazole were calculated using density functional theory, and compared with experimental results. The compound shows higher drug-likeness and molecular docking affinity, suitable for Covid-19 treatment.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Chemistry, Organic
Ramamurthy Katikireddy, Srinivas Marri, Ramu Kakkerla, M. P. S. Murali Krishna, Durgaiah Gandamalla, Y. N. Reddy
Summary: The study synthesized benzimdazolyl 2-amino-1,3,4-oxadiazole derivatives and evaluated their anticancer activities against multiple cancer cell lines. Some compounds showed promising anticancer effects with low toxicity to normal cells, and exhibited good molecular docking results with the target EGFR protein.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Chemistry, Physical
K. Srishailam, K. Ramaiah, K. Laxma Reddy, B. Venkatram Reddy, G. Ramana Rao
Summary: The Fourier transform infrared spectra of two molecules and their Raman counterparts were measured and analyzed. The dihedral angles and barrier heights around various rotating bonds were computed for geometry optimization. The vibrational fundamentals, potential energy distribution, and intensities were determined using DFT/B3LYP/6-311++G(d,p) method. The measured spectra showed good agreement with the simulated spectra, and accurate assignments of vibrational frequencies were obtained.
MOLECULAR SIMULATION
(2022)
Article
Chemistry, Physical
Ramaiah Konakanchi, Koya Prabhakara Rao, G. Naaresh Reddy, Jyothi Prashanth
Summary: The spectroscopic and physicochemical properties of a synthesized Zn(II)-2-amino-3-pyridinecarboxaldehyde complex were investigated in this article. The complex was optimized using various methods and its Fourier transform infrared and Raman spectra were compared to theoretical parameters. The compound exhibited significant anti-inflammatory potency and showed binding energy towards a protein receptor related to inflammation.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Engineering, Electrical & Electronic
T. Ramesh, B. Sravanthi, G. Umadevi, K. Ramaiah, B. Anna Tanuja Safala, T. Suneetha
Summary: The aim of this study is to synthesize ZnO nanostructures and investigate their gas-sensing, cytotoxicity, and antibacterial activity. Three different synthesis methods were employed: sol-gel, chemical co-precipitation, and microwave heating. Structural, morphological, and optical features of the synthesized materials were analyzed using X-ray diffraction, field effective scanning electron microscopy, and UV-Visible spectroscopy. The synthesized samples exhibited a hexagonal wurtzite structure, and their morphology and absorption varied depending on the synthesis method. Gas-sensing tests showed that the synthesized powders had a strong capability to sense NH3. The compounds also exhibited antimicrobial and anticancer activity, with significant activity observed against certain cancer cell lines.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Chemistry, Multidisciplinary
K. Srishailam, K. Ramaiah, K. Laxma Reddy, B. Venkatram Reddy, G. Ramana Rao
Summary: The synthesis of APHT was attempted, and its anticancer activity was measured experimentally. Various experimental techniques and theoretical calculations were used for comprehensive analysis, revealing the potential of both molecules for NLO applications, substantiated by NBO analysis. The existence of bifurcated intramolecular hydrogen bond was predicted for both APHT and APMHT.
Article
Physics, Multidisciplinary
K. Eswar Srikanth, K. Ramaiah, D. Jagadeeswara Rao, K. Prabhakara Rao, J. Laxman Naik, A. Veeraiah, J. Prashanth
INDIAN JOURNAL OF PHYSICS
(2020)
Article
Chemistry, Inorganic & Nuclear
Angela Lis, Viorica Gladchi, Gheorghe Duca, Sergey Travin
Summary: This work presents studies on the photochemical transformations of TU and Cys with the addition of Cu(II) or Fe(III) ions. The results show that the oxidation rate of the thiols increases significantly when Cu(II) or Fe(III) ions are added to the system. It has also been found that TU and Cys can form stable complex compounds with the studied metal ions. The oxidation rates of the thiols are found to depend on the radiation intensity and emission spectrum of the irradiation sources.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Cristiane F. A. Teixeira, Estefane I. Teixeira, J. P. C. Nascimento, M. Amilcar Junior, L. M. C. Pinto, Anderson R. L. Caires, G. B. Alcantara, Ana C. Micheletti, Victor M. Deflon, Davi F. Back, Heveline Silva, Lucas Pizzuti, Gleison Antonio Casagrande
Summary: Novel binuclear heteroleptic copper(I) complexes based on mixed DPPE/thiocarbamoyl-pyrazoline ligands were synthesized and structurally characterized. These complexes exhibited similar structural behavior around the Copper(I) atoms and showed promising antimicrobial and anticancer activities.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Chen Chen, Li Liu, Xin-Xin Zhong, Fa-Bao Li, Hai-Mei Qin
Summary: Thermally activated delayed fluorescent (TADF) Cu(I) halide complexes with short lifetimes and intense emissions were synthesized and characterized. These complexes exhibit intense green to yellow-green delayed fluorescence and are suitable for OLED devices.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Tian-Yu Zhang, Xue-Qian Wu, Heng-Yu Ruan, Yi Yuan, Le Wang, Ya-Pan Wu, Qing-Wen Han, Ruan Chi, Dong-Sheng Li
Summary: In this study, a novel Ni(II)-based metal-organic framework with good electrocatalytic oxidation performance was successfully synthesized, showing potential for direct alcohol fuel cells.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Susanta Das Baishnab, R. N. Dutta Purkayastha, Waldemar Maniukiewicz, Rosa M. Gomila, Antonio Frontera
Summary: The synthesis, structure, and DNA binding ability of three decavanadate complexes containing cationic organic moieties were reported. The complexes were characterized by various techniques and their solid-state structures were analyzed. The complexes showed interesting assembly patterns and exhibited moderately strong intercalative binding with CTDNA. Additionally, their micellization behavior in the presence of the surfactant CTAB was studied.
INORGANICA CHIMICA ACTA
(2024)
Review
Chemistry, Inorganic & Nuclear
Jubaraj B. Baruah
Summary: Isomorphous series are generated by replacing atoms or molecules to form materials with similar compositions. They allow modulation of structure and properties, and generate equivalent compositions with novel material properties. The study of stereo-electronic aspects of different equivalent compositions can improve the utility of the original composition.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Kamelah S. Al-Rashdi, Bandar A. Babgi, Ehab M. M. Ali, Bambar Davaasuren, Abdul-Hamid M. Emwas, Mariusz Jaremko, Mark G. Humphrey, Mostafa A. Hussien
Summary: Tridentate ligands were used to synthesize a set of palladium complexes, which were characterized and found to have DNA and BSA binding abilities. The complexes also showed differences in anticancer activities.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Diane Isaacs, Chandler Cox, Mark A. Bezpalko, W. Scott Kassel, William G. Dougherty
Summary: The structure and electrochemical properties of zinc(II) complexes with a face-capping ligand have been investigated, revealing the effect of the ligand on bound semiquinonate (SQ) radicals. The substitution pattern of the SQ ring plays a crucial role in determining the fate of the bound SQ radicals. Additionally, the protective pocket formed by the ligand's phenyl substituents is unable to prevent decomposition of SQ radicals with minimal steric bulk, suggesting that substitution of the SQ ring is the main contributor to their stabilization.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Xingliang Chen, Zhiqiang Jiang
Summary: Here, a series of zinc tetrahedral tetrazolate frameworks (Zn-TTFs) are presented, and it is demonstrated that rotation of carboxyl group can generate structural diversity. Compound 3 exhibits a unique zeolite-like structure, while compound 4 shows both super acid and alkali resistance.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Ankita Puri, Allison Mcaninch, Sheng Shu, Khashayar Rajabimoghadam, Maxime A. Siegler, Marcel Swart, Isaac Garcia-Bosch
Summary: In this article, the synthesis and characterization of copper, nickel, and palladium complexes bound by bidentate ligands derived from ortho-phenylenediamine are described. The complexes contain tunable H-bond donors and their crystal structures reveal intramolecular H-bonding interactions between the ligand scaffolds. Variations in the coordination sphere led to the isolation of the complexes in square-planar or twisted pseudo-tetrahedral geometries. Structural analysis showed that intramolecular H-bonding interactions can be altered by disrupting the bonds between countercations, solvent of crystallization, and ligand scaffold, resulting in changes in the geometry of the complexes. DFT calculations confirmed that Cu complexes prefer twisted geometries while Ni and Pd complexes favor square-planar geometries.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Laiane dos Santos Oliveira, Pedro Henrique de Souza Guarda, Leticia Bazilio Rosa, Gustavo Clauss Rodrigues, Daniele Daiane Affonso, Joao Ernesto de Carvalho, Igor Andrade Santos, Mark Harris, Douglas Hideki Nakahata, Jose Ricardo Sabino, Danilo Ciccone Miguel, Ana Lucia Tasca Gois Ruiz, Ana Carolina Gomes Jardim, Camilla Abbehausen
Summary: Chalcones are chemical precursors of flavonoids that have various biological properties. In this study, novel copper(II)-2'-hydroxy-4-benzyloxychalcone complexes were synthesized and evaluated for their antileishmanial, antiproliferative, and antiviral activities. The results demonstrated that these complexes showed potential effects against tumor cells, leishmania parasites, and SARS-CoV-2 virus. The study also highlighted the influence of ligand structure on biological activity.
INORGANICA CHIMICA ACTA
(2024)
Review
Chemistry, Inorganic & Nuclear
Archana Thakur, Harpreet Kaur, Vishal Tyagi
Summary: This review article discusses the findings of research on the 13C NMR spectra of di- and tri-butyltin carboxylates, highlighting the importance of 13C NMR chemical shifts in determining the chemical surroundings of carbon nuclei and their role in structure elucidation.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Qiang Zhao, Qi-Yang Li, Zhi Shen, Guo Zang, Wen-Jun Lv
Summary: In this study, five metal complexes were synthesized using a solvothermal reaction and their structures were analyzed by single crystal X-ray diffraction. Fluorescence and magnetic properties of some complexes were also investigated.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Jeremy Erb, Darcy Setter, Jake Swavey, Frederick Willits, Shawn Swavey
Summary: Three BODIPY-Ru(II) complexes were synthesized by coordinating [Ru(bpy)2Cl]+ complexes to BODIPY ligands. The spectroscopic and electrochemical properties of the complexes were characterized. The complexes exhibited intense absorption peaks due to the pi pi* transitions localized on the BODIPY core, and additional charge transfer transitions associated with the metal center. The complexes showed significant singlet oxygen generation and were able to induce photo-nicking of DNA.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Sahin Reja, Dilip Sarkar, Kaushik Sarkar, Deboshmita Mukherjee, T. K. S. Fayaz, Palash Sanphui, Rajesh Kumar Das
Summary: A promising bioinspired metallocatalyst has been produced and characterized, showing high catalytic activity in oxygen dependant enzymatic radical pathway. The catalyst also exhibits inter and intra molecular H-bonding and C-H-pi interactions.
INORGANICA CHIMICA ACTA
(2024)
