Article
Chemistry, Physical
Abdel Aziz Abu-Yamin, Abdel Aziz Qasem Mohammad Jbarah, Khaled Al Khalyfeh, Suzan Matar, Muawia Alqasaimeh, Tobias Rueffer, Heinrich Lang
Summary: A single-crystal X-ray diffraction investigation validated the chemical structure and spectroscopic data of (E)-ethyl-4-(5-bromo-2-hydroxybenzylidene amino)benzoate. Density functional theory calculations were used to study the molecular electronic structure and electrostatic potential features of the compounds. The compounds exhibited bactericidal activity and potential cytotoxicity against MCF-7 cells, suggesting their potential as anticancer agents.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Ehab M. M. Abdalla, Safaa S. S. Hassan, Hussein H. H. Elganzory, Samar A. A. Aly, Heba Alshater
Summary: New Pb(II), Mn(II), Hg(II), and Zn(II) complexes derived from a specific compound were synthesized and characterized through physicochemical and theoretical studies. Changes in physical and chemical properties under gamma irradiation were observed, with Mn(II) and Pb(II) complexes showing increased thermal stability. The complexes exhibited variations in antibacterial activity and cytotoxicity, with Hg(II) complex demonstrating excellent antibacterial activity. Molecular docking on MK-2 active site showed promising results.
Article
Chemistry, Physical
Busra Kaya, Tuncay Karakurt, Onur Sahin, Bahri Ulkuseven
Summary: The template reaction was used to synthesize cobalt complexes with different ligand structures, which were characterized experimentally and computationally to better understand their properties.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Hassan Keypour, Azar Tafazzoli, Seyed Hamed Moazzami Farida, Molood Abdollahi-Moghadam, Robert William Gable
Summary: A new hexaaza Schiff base ligand with a piperazine ring was synthesized and characterized. A novel complex of the ligand with nickel was prepared and characterized, showing a distorted octahedral environment around the nickel ion. The anti-cancer activity and antioxidant property of the ligand and complex were evaluated, and the binding mode of the ligand to nickel ion was investigated using DFT calculations. Theoretical and experimental findings were in agreement.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Applied
Dina A. Tolan, Tahani Kashar, Kazunari Yoshizawa, Ahmed M. El-Nahas
Summary: A novel hydrazide-hydrazone ligand derived from isonicotinic acid was synthesized and seven mononuclear complexes with Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), and Hg(II) were prepared and characterized. DFT studies were conducted to investigate the structures of the ligand and its complexes. The antimicrobial activities of the ligand and its complexes were compared, with the Hg(II) complex showing the best antibacterial and antifungal activity among all tested complexes.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Mohammed Bakir, Mark A. W. Lawrence, Junior Johnson, Colin McMillen
Summary: The study reported the structure characterization and electrochemical properties of fac-[Re(CO)(3)(kappa(2)-N-im,S-bptsc)Cl] (2) synthesized by reacting Re(CO)5Cl and benzophenone thiosemicarbazone in toluene with air. The authenticity of compound 2 was confirmed through elemental analysis, spectroscopic measurements, and X-ray crystallographic analysis, with findings of structural changes in its electrochemical behavior elucidated. Potential mechanisms for the oxidative and reductive electrochemical decomposition of 1 and 2 were proposed and found to be in good agreement with literature reports on related compounds.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Applied
Kiran Singh, Preeti Siwach
Summary: A new series of triazole-based Schiff base and its metal complexes were synthesized and investigated for biological activities through spectral analysis. Some of the metal complexes showed higher antibacterial activity against Escherichia coli compared to standard drugs.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Karthik Rajagopal, Saravanan Dhandayutham, Manivannan Nandhagopal, Mathivanan Narayanasamy, Mohamed Elzagheid, Lydia Rhyman, Ponnadurai Ramasami
Summary: 4-Mercaptopyridylthiazole derivatives were synthesized using simple and eco-friendly reaction conditions. The compounds were characterized and tested for their biological activities. Among the tested compounds, 2-((2-(piperidin-1-yl)ethyl)thio)-4-(pyridin-4-yl)thiazole showed the best antifungal activity and low hemolytic activity.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Haseeba Sadaf, Imtiaz-ud-Din, Mohammed Fettouhi, Wiktor Zierkiewicz, Mariusz Michalczyk, Ihsan-ul-Haq, Tayyaba Ahmad, Saeed Ahmad
Summary: Six palladium(II) complexes containing 2-phenylimidazole and 1,2-dimethylimidazole were synthesized and characterized in this study. The crystal structure of one of the complexes was determined. DFT calculations were used to predict the structures of the complexes. The complexes exhibited moderate antimicrobial activities and excellent anti-diabetic effects, but were not effective as antioxidants.
Article
Chemistry, Inorganic & Nuclear
Qumars Poladian, Onur Sahin, Tuncay Karakurt, Berat Ilhan-Ceylan, Yasemin Kurt
Summary: A new unsymmetrical N2O2-tetradentate Schiff-base complex of zinc(II) was synthesized and characterized by various analytical techniques. Experimental and theoretical data were compared comprehensively, with molecular docking studies and antioxidant capacity evaluation conducted to support in vitro studies.
Article
Chemistry, Multidisciplinary
Fathy A. El-Saied, Mohamad M. E. Shakdofa, Mayada S. Ali, Reham M. W. Faried, Ahmed El-Asmy, Metwally Madkour
Summary: In this study, complexes of N-ethyl-2-(2-hydroxybenzylidene) hydrazine-1-carbothioamide with Pd2+, Pt2+, Ni2+ and Cu2+ were prepared and characterized. Ni2+, Pd2+ and Pt2+ complexes were used as single precursors for noble metal/metal oxide nanoparticles, with Pt/NiO exhibiting the highest photocatalytic activity.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Chemistry, Inorganic & Nuclear
E. S. Cakmakci, E. Subasi, E. Ozturk, A. Sahiner, B. Sen Yuksel
Summary: Metal(II) complexes including Co(II), Ni(II), Pd(II) and Zn(II) were synthesized and characterized. These complexes were obtained by reacting metal(II) chlorides with the ligand. The structures and properties of these complexes were determined by various characterization techniques including elemental analysis, FT-IR, 1H NMR, and single crystal X-ray diffraction.
INORGANICA CHIMICA ACTA
(2023)
Article
Chemistry, Inorganic & Nuclear
Berat Ilhan-Ceylan, Olcay Bolukbasi, Ayberk Yilmaz, Kerem Kaya, Yasemin Kurt, Bahri Ulkuseven
Summary: The new compounds and their complexes were synthesized and characterized using various analytical techniques, including single crystal X-ray diffraction. The molybdenum atom in the complex exhibits a distorted octahedral coordination, with the sixth coordination site occupied by a methanol molecule.
Article
Chemistry, Applied
Nimya Ann Mathews, M. R. Prathapachandra Kurup
Summary: This study synthesized new ternary complexes derived from multisubstituted thiosemicarbazone ligands and characterized their properties using various spectroscopic and analytical methods. The complexes showed strong interactions with DNA, cleaving DNA without external agents, and exhibited potential cytotoxicity against human breast cancer cells.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Mohamed Ismael, Esraa Eladel, Mahmoud Abd El-Daim El-Taher, Aleya Abd El Moneam M. Gad
Summary: A series of complexes based on NPICC ligand with Co2+, Ni2+, Cu2+ and Zn2+ metal ions were synthesized and characterized. The complexes showed good inhibition activity against bacteria and fungi, and exhibited potential anti-tumor activity. Quantum mechanics calculation and docking study supported the experimental results and provided insights into the mechanism of action.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Organic
G. Ramesh, B. Venkatram Reddy
Summary: In this study, spectroscopic tools were used to analyze the properties of pyridine-3-carboxylic acid. DFT computations were conducted to obtain the structural conformation and vibrational frequencies, and the chemical reactivity of the compound was evaluated. The results showed that the compound exhibited inter-molecular and intra-molecular hydrogen bonding, forming a supramolecular network.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Organic
G. Ramesh, B. Venkatram Reddy
Summary: The structural conformation of pyrrole-2-carboxaldehyde was evaluated using DFT computations, and the molecule was found to exhibit a more stable cis form compared to the trans form. Hydrogen bonding due to intra- and inter-molecular interactions was observed. The computational results were in good agreement with experimental data, and the molecule showed suitability for non-linear optical applications.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Organic
K. Srishailam, L. Ravindranath, B. Venkatram Reddy, G. Ramana Rao
Summary: In this study, the UV-Visible spectral data of biphenyl-4-carboxaldehyde, biphenyl-3-carboxaldehyde, and biphenyl-2-carboxaldehyde were analyzed using experimental and theoretical methods. The global reactivity descriptors and non-linear optical properties of the molecules were evaluated. The analysis of NBO and MESP surfaces provided insights into the NLO behavior and reactive sites of the molecules.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Physics, Multidisciplinary
Gaddam Ramesh, P. Venkata Ramana Rao, K. Srishailam, B. Venkatram Reddy
Summary: The article focuses on the structural, energetic, and vibrational properties of three monosubstituted pyridines with aldehyde groups. Experimental spectra were recorded and compared with quantum chemical calculations, which showed good agreement. The article also includes a theoretical evaluation of nonlinear optical properties, frontier molecular orbital parameters, natural bond orbital characteristics, and molecular electrostatic potential surface analysis for a comprehensive characterization of the molecules. Additionally, dimeric structures caused by intermolecular hydrogen bonding were computed.
BRAZILIAN JOURNAL OF PHYSICS
(2023)
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, Physical
Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Jebiti Haribabu, Vipin Manakkadan, Puthiyavalappil Rasin, Roslin Elsa Varughese, Dasararaju Gayathri, Nattamai Bhuvanesh, Cesar Echeverria, Anandaram Sreekanth
Summary: In this study, we synthesized and evaluated the biological activity of new thiosemicarbazones and their cyclized heterocyclic compounds through in silico and in vitro examinations. Two pyrene-based thiosemicarbazone compounds were prepared and two new compounds were obtained through cyclization reactions. The structure of the compounds was characterized using various analytical techniques. Among them, PP2 exhibited strong cytotoxicity and inhibited the growth of HepG-2 and T24 cells.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Milosz Frydrych, Bogna Sztorch, Dariusz Brzakalski, Daria Pakula, Robert E. Przekop, Kanugula Srishailam, Byru Venkatram Reddy, Bogdan Marciniec
Summary: The research presented in this paper investigates the reactivity of unsaturated borasilsesquioxanes under organometallic transformations. The catalytic hydrosilylation reaction was explored using silanes, siloxanes, and silsesquioxanes with a platinum catalyst. High yields (>90%) of the products were obtained and their structures were confirmed using spectroscopy and spectrometry. The significant focus of the study is the spontaneous redistribution reaction of the alkoxy group from silane to borane moiety, which goes beyond heterosilsesquioxane chemistry. The formation of silicon-boron hybrid molecules was confirmed using GC-MS, ESI-MS methods, and B3LYP exchange-correlation.
Article
Chemistry, Applied
Dorothy Priyanka Dorairaj, Jebiti Haribabu, Dharmasivam Mahendiran, Rahime Eshaghi Malekshah, Sodio C. N. Hsu, Ramasamy Karvembu
Summary: We synthesized five new Cu(I) acylthiourea complexes (C1-C5) and characterized them using analytical and spectroscopic tools. The complexes exhibited a distorted tetrahedral geometry as observed from a single crystal X-ray diffraction study. Complex C4 showed the highest binding efficacy with biomolecules and demonstrated high cytotoxicity against breast cancer cell lines. It induced apoptosis through a reactive oxygen species (ROS)-mediated mitochondrial signaling pathway.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Srividya Swaminathan, Jebiti Haribabu, Mahendiran Dharmasivam, Nikhil Maroli, Jayachandra Prakasan Jayadharini, Nithya Balakrishnan, Nattamai Bhuvanesh, Cesar Echeverria, Ramasamy Karvembu
Summary: We designed and synthesized bipodal ligands with varying substitution on the phenyl group spacer. Ligands and complexes with different arene units were successfully synthesized and characterized. The coordination behavior of the ligands was minimally influenced by substitution change, but differences were observed in the anticancer activity of the complexes. DFT and X-ray diffraction studies revealed structural variations between the different substitutions, and UV-visible spectroscopy determined the correlation between anticancer activity, hydrolysis rate, and lipophilicity index of the complexes. Staining assays, flow cytometry, and Western blot analysis confirmed the apoptotic cell death mechanism of the active complexes.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Applied
Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Jebiti Haribabu, Vaishnu Suresh Kumar, Vipin Manakkadan, Puthiyavalappil Rasin, Nattamai Bhuvanesh, Cesar Echeverria, Juan F. Santibanez, Anandaram Sreekanth
Summary: A series of thiosemicarbazones were synthesized and evaluated for their anticancer activity. One compound (CFM) showed potent inhibitory effects against breast adenocarcinoma and urinary bladder cancer cells, while exhibiting negligible cytotoxicity against normal cells. Molecular docking studies suggested effective binding of these compounds with cancer proteins and serum proteins. These findings provide insights into the bioactivities of thiosemicarbazones.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Dorothy Priyanka Dorairaj, Jebiti Haribabu, Mahendiran Dharmasivam, Rahime Eshaghi Malekshah, Mohamed Kasim Mohamed Subarkhan, Cesar Echeverria, Ramasamy Karvembu
Summary: Half-sandwich Ru(II) complexes containing nitro-substituted furoylthiourea ligands were synthesized and characterized. These complexes exhibited good interactions with biomolecules and showed high cytotoxicity against breast cancer cells while remaining non-toxic on normal cells. The apoptosis mode of cell death was confirmed through staining and western blot analysis. In vivo experiments on mice also demonstrated the high activity of these complexes.
INORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Mathiyan Muralisankar, Jun-Ru Chen, Jebiti Haribabu, Shyue-Chu Ke
Summary: In this study, a series of water-soluble ruthenium-arene complexes were synthesized and characterized. Biophysical and chemical studies showed that these complexes have good anticancer activity. Cell experiments demonstrated that the complexes have stronger toxicity against bladder cancer cells compared to normal cells. This study provides new insights for the rational design of organoruthenium drugs.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Vipin Manakkadan, Jebiti Haribabu, Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Puthiyavalappil Rasin, Manas Mandal, Vaishnu Suresh Kumar, Nattamai Bhuvanesh, Rednam Udayabhaskar, Anandaram Sreekanth
Summary: In this study, a series of thiosemicarbazones were synthesized and their structures were confirmed using various spectroscopic techniques. The compounds showed interactions with CT-DNA and BSA, with TL3 exhibiting stronger binding and interaction. Computational evaluations revealed TL2 to have higher structural stability. All compounds showed potential as oral drug candidates. TL3 exhibited good anticancer activity in liver and endothelial carcinoma cells.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Review
Chemistry, Multidisciplinary
Rahime Eshaghi Malekshah, Mojtaba Moharramnejad, Sajjad Gharanli, Mehrnaz Shahi, Ali Ehsani, Jebiti Haribabu, Hassan Ouachtak, Babak Mirtamizdoust, Khanita Kamwilaisak, Mika Sillanpaa, Hadi Erfani
Summary: Catalysts have played a crucial role in advancing human civilization throughout history. Metal-organic frameworks (MOFs) have emerged as promising candidates for heterogeneous catalysis due to their unique physicochemical properties and hybrid structures. MOFs offer tunable porosity and control over catalyst properties, making them versatile for various reactions. This review focuses on the use of MOFs in value-added compound production and highlights their potential in CO2 fixation, reduction, and water splitting reactions. Overall, MOFs have great potential as versatile catalysts for diverse applications in the future.
Article
Chemistry, Multidisciplinary
Jebiti Haribabu, Nithya Balakrishnan, Srividya Swaminathan, Dorothy Priyanka Dorairaj, Mohammad Azam, Mohamed Kasim Mohamed Subarkhan, Yu-Lun Chang, Sodio C. N. Hsu, Pavel Starha, Ramasamy Karvembu
Summary: Three Pd(II) complexes containing tridentate chromone-based thiosemicarbazones were synthesized via in situ Michael addition reaction. The complexes exhibited potent anticancer activity against HeLa cancer cells, with IC50 values of 2.87 and 4.01 μM for complexes 2 and 3, respectively. Furthermore, the active Pd(II) complexes showed minimal damage to normal tissues in mice compared to cisplatin.
NEW JOURNAL OF CHEMISTRY
(2023)