Article
Chemistry, Applied
Yan-Hua Lei, Jian-Hong Jiang, Xu Li, Qiang-Guo Li, Chuan-Hua Li
Summary: A new bismuth(III) Schiff-base complex was synthesized and characterized by various methods, showing the strongest inhibition effect among three compounds in terms of antimicrobial activity. The experimental and theoretical vibrational bands were discussed, along with obtaining thermokinetic parameters. The complex exhibited the highest inhibition effect.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Sudip Bhunia, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay
Summary: Two linear mixed-valence trinuclear centrosymmetric cobalt(III)-cobalt(II)-cobalt(III) complexes have been synthesized and their solid state structures have been determined by single crystal X-ray diffraction analysis. The supra-molecular assemblies observed in the solid state structures have been analyzed using DFT calculations, focusing on CH3...pi and Cl...Cl interactions.
INORGANICA CHIMICA ACTA
(2023)
Article
Chemistry, Inorganic & Nuclear
Sudip Bhunia, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay
Summary: Three linear mixed valence trinuclear cobalt complexes were synthesized using two N2O2 donor ligands and characterized by single crystal X-ray diffraction analysis. DFT calculations were performed to study the mixed valence nature, and the structure directing role of noncovalent interactions in the solid state was investigated.
Article
Chemistry, Organic
Maciej Skrodzki, Violetta Patroniak, Piotr Pawluc
Summary: A bench-stable cobalt(II) complex, with a 3N-donor socket-type benzimidazole-imine-2H-imidazole ligand, is reported as an efficient precatalyst for regioselective hydrosilylation of terminal alkynes, providing high yields with excellent selectivity. This catalyst loading range of 0.5-0.05 mol % is among the most efficient reported for cobalt-catalyzed alkyne hydrosilylation in the literature.
Article
Chemistry, Inorganic & Nuclear
Jian-Hong Jiang, Yan-Hua Lei, Xu Li, Yiyuan Pi, He Zhu, Qiang-Guo Li, Chuan-Hua Li
Summary: A new cobalt(II) Schiff-base complex was prepared and characterized, exhibiting stronger antibacterial activity compared to the Schiff base ligand alone. The structural analysis and evaluation of antibacterial properties were conducted, revealing the enhanced inhibitory effect of the complex.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Yulia Goldshtein, Yuri Glagovsky, Boris Tumanskii, Natalia Fridman, Dmitry Bravo-Zhivotovskii, Yitzhak Apeloig
Summary: This article reports the synthesis and characterization of the first isolated genuine germenyl lithiums. Several reactions and products of these compounds are described. Additionally, the structure and properties of the generated germenyl radicals are revealed through experiments and calculations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Inorganic & Nuclear
Eugeny P. Ivakhnenko, Pavel A. Knyazev, Yulia G. Vitkovskaya, Leonid D. Popov, Konstantin A. Lyssenko, Oleg P. Demidov, Andrey G. Starikov, Gennady S. Borodkin, Vladimir I. Minkin
Summary: A series of 2-(hydroxyphenyl)-1H-benzo[d]imidazols with readily oxidizable 2,6-di-tert-butyl-phenol substituents and their bis-chelate Cu(II) complexes were synthesized and characterized. The compounds exhibit stable phenoxyl-type radicals under oxidation and show antioxidant radical scavenging activity. Analysis using ESR spectra, cyclic voltammetry, and DFT calculations revealed the behavior of these compounds during oxidation and showed no exchange interaction between unpaired electrons in Cu(II) complexes.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Applied
Kuiyuan Wang, Kai Chen, Tiezheng Bian, Yimin Chao, Takehiko Yamato, Feng Xing, Timothy J. Prior, Carl Redshaw
Summary: The emission properties of [2 + 2] Schiff-base macrocycles in different solvents show that an increase in solvent polarity results in a larger energy level gap and hypochromic shifts can be observed.
Article
Chemistry, Physical
S. Manivel, Bhavya S. Gangadharappa, N. Elangovan, Renjith Thomas, Ola A. Abu Ali, Dalia Saleh
Summary: A new Schiff base compound was synthesized and characterized using various spectroscopic techniques. The electronic structure of the compound and its interaction with solvent water were studied computationally. The compound was found to exhibit antibacterial and antifungal activity, which was confirmed by predictions and experimental studies.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
K. J. Rajimon, N. Elangovan, Ali Amir Khairbek, Renjith Thomas
Summary: Schiff bases with salicylaldehyde were successfully synthesized and characterized using various spectroscopic techniques. The compounds showed fluorescence properties and exhibited significant antimicrobial activity. Molecular docking studies revealed their binding interactions with a protein of Staphylococcus aureus, confirming their potential as biological agents.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Medicinal
G. Prakasha, H. D. Revanasiddappa, B. Jayalakshmi, B. T. B. Prabhakar, Chandan Shivamallu, Prashant M. Viswanath, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Natalia Manturova, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Sanja J. Armakovic, Stevan Armakovic, Shiva Prasad Kollur
Summary: The emerging interest in coordination chemistry and their biological applications has had a novel impact in chemical biology. In this study, a novel benzimidazole derived imine ligand and its Co(III) and Cu(II) complexes were synthesized. The structural elucidations of the compounds were performed, and computational investigations on their properties were conducted. The compounds showed significant anti-proliferative activity against cancer cell lines, and the effect of one compound on neovascularization was evaluated.
Article
Biochemistry & Molecular Biology
T. M. Dhanya, Aravind Krishnan, G. Anjali Krishna, Shijo Francis, P. V. Aswathy, Maria Augustine, A. A. Shanty, K. M. Divya, D. P. Savitha, P. V. Mohanan
Summary: A novel fluorogenic sensor BTMPD was synthesized and characterized by spectroscopic methods. The sensor showed high selectivity, sensitivity, and low detection limit for the sensing of amino acid Serine. The detection range was linear and the detection limit was found to be 1.74+/- 0.02 nM under optimal conditions. The theoretical calculations using DFT provided information about the system arrangement and features, which was in good agreement with experimental results. The practical applicability of BTMPD in fluorescence sensing and real sample analysis was demonstrated.
BIOORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Mahak Dalal, Nidhi Antil, Binesh Kumar, Jai Devi, Sapana Garg
Summary: This research study focuses on the biological efficacy of a newly synthesized Schiff base ligand and its aryltellurium(IV) complexes. The synthesized compounds were characterized using various physical and spectral investigations, and theoretical chemical estimations were also conducted. The results showed that the complexes exhibited mild to strong antimicrobial activity, with higher activity than the Schiff base. Molecular docking experiments revealed the ability of the compounds to bind to receptors. ADMET results indicated favorable drug-like behavior of the synthesized compounds. Overall, these complexes may serve as promising candidates for infection ailments.
INORGANIC CHEMISTRY COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Angelo Frei, A. Paden King, Gabrielle J. Lowe, Amy K. Cain, Francesca L. Short, Hue Dinh, Alysha G. Elliott, Johannes Zuegg, Justin J. Wilson, Mark A. T. Blaskovich
Summary: Resistance to current antifungal drugs is increasing, with little attention given to the threat of drug-resistant fungal infections compared to antibacterial resistance. A series of cobalt(III) Schiff base complexes show broad-spectrum antifungal activity with no cytotoxicity to bacterial and human cells, and initial in vivo toxicity data in Galleria mellonella suggest toleration of high doses, paving the way for further studies.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Applied
Shyam Sundar Mondal, Namita Jaiswal, Partha Sarathi Bera, Ranjay K. Tiwari, Jogendra Nath Behera, Nripen Chanda, Subhas Ghosal, Tanmoy Kumar Saha
Summary: A series of copper and cobalt complexes with different imino-phenolate ligands were synthesized and their interaction with DNA, albumin, and cancer cells were studied, showing significant cytotoxic potential and involvement in inducing apoptosis mechanism.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Electrochemistry
Stephan den Hartog, Mohammad Samanipour, H. Y. Vincent Ching, Sabine Van Doorslaer, Tom Breugelmans, Annick Hubin, Jon Ustarroz
Summary: The study validates a method combining electrochemical and electron paramagnetic resonance (EPR) techniques for investigating oxygen reduction reaction (ORR) intermediates at Pt nanoparticles. The results demonstrate the detection and identification of free radicals produced during ORR, providing a functional proof-of-concept for further research. The proposed procedure could enable a more rigorous quantification of free radicals in other electrochemical reactions.
ELECTROCHEMISTRY COMMUNICATIONS
(2021)
Article
Physics, Atomic, Molecular & Chemical
Ilenia Serra, Ines Garcia Rubio, Sabine Van Doorslaer
Summary: This study systematically investigates the impact of various factors on the EPR spectrum of myoglobin, focusing on the use of high-pH buffers to induce alkaline transition. The findings show that specific pairs of buffers and cryoprotectants can significantly alter the sample's pH, with ethylene glycol being more effective than glycerol as a cryoprotectant. Additionally, the effect of experimental factors is enhanced at cryogenic temperatures, highlighting the importance of careful selection in EPR studies of metalloproteins.
APPLIED MAGNETIC RESONANCE
(2022)
Article
Chemistry, Physical
Thomas Richards, Jonathan H. Harrhy, Richard J. Lewis, Alexander G. R. Howe, Grzegorz M. Suldecki, Andrea Folli, David J. Morgan, Thomas E. Davies, E. Joel Loveridge, David A. Crole, Jennifer K. Edwards, Paul Gaskin, Christopher J. Kiely, Qian He, Damien M. Murphy, Jean-Yves Maillard, Simon J. Freakley, Graham J. Hutchings
Summary: A new study shows that reactive oxygen species formed over a AuPd catalyst during the synthesis of hydrogen peroxide are more effective in eliminating bacteria and viruses compared to preformed hydrogen peroxide and chlorination. This approach could potentially serve as an alternative method for water disinfection in communities lacking access to traditional means of water remediation.
Article
Physics, Atomic, Molecular & Chemical
Michael Barter, Giuseppina Magri, Jaafar Harari, Heungjae Choi, Andrea Folli, Daniel R. Slocombe, Emma Richards, Damien M. Murphy, Adrian Porch
Summary: This paper describes the design considerations for a dual mode X-band continuous wave (CW) Electron Paramagnetic Resonance (EPR) cavity, which allows for simultaneous EPR measurement and microwave heating. The chosen elliptical cavity geometry splits the degeneracy of the TM110 mode, providing effective EPR signal resolution. The use of copper clad laminates for the cavity walls ensures sufficient penetration of the modulation field and maintains a high cavity Q factor. The heating port and low pass filter compensate for the decrease in EPR signal strength.
APPLIED MAGNETIC RESONANCE
(2022)
Article
Chemistry, Inorganic & Nuclear
William J. M. Blackaby, Katie L. M. Harriman, Samuel M. Greer, Andrea Folli, Stephen Hill, Vera Krewald, Mary F. Mahon, Damien M. Murphy, Muralee Murugesu, Emma Richards, Elizaveta Suturina, Michael K. Whittlesey
Summary: A new series of homoleptic Ni(I) bis-N-heterocyclic carbene complexes with different torsion angles between the ligands have been reported. The complexes exhibit a strongly anisotropic g-tensor and the first excited state energy ranges from 270 to 650 cm(-1). The magnetic relaxation is dominated by Raman and direct processes, and the temperature dependence of the relaxation does not correlate with the torsion angle.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Yu Zhang, Shaowei Qin, Nathalie Claes, Waldemar Schilling, Prakash Kumar Sahoo, H. Y. Vincent Ching, Aleksander Jaworski, Filip Lemiere, Adam Slabon, Sabine Van Doorslaer, Sara Bals, Shoubhik Das
Summary: In this study, a metal-free heterogeneous photocatalyst was developed for the direct hydroxylation of tertiary benzylic C(sp(3))-H bonds using oxygen as the key reagent. The gram-scale reaction was achieved with high product yield using direct solar energy. The high stability of the catalyst was proven through catalyst recycling and spectroscopic analyses, and a possible mechanism was proposed based on experimental evidence.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Correction
Electrochemistry
Sander Neukermans, Mohammad Samanipour, H. Y. Vincent Ching, Jonas Hereijgers, Sabine Van Doorslaer, Annick Hubin, Tom Breugelmans
Article
Chemistry, Analytical
Liselotte Neven, Hanan Barich, H. Y. Vincent Ching, Shahid U. Khan, Christopher Colomier, Hemantbhai H. Patel, Sergiu M. Gorun, Sammy Verbruggen, Sabine Van Doorslaer, Karolien De Wael
Summary: Electron-withdrawing perfluoroalkyl peripheral groups grafted on phthalocyanine macrocycles improve their properties for catalytic applications, with a high degree of fluorination enhancing reducibility and potentially altering singlet oxygen photoproduction. The use of a specific solvent mixture was found to dissolve perfluorinated complexes and minimize aggregation, while solid-state studies showed potential for developing efficient sensors based on these complexes. The most efficient generator of singlet oxygen was determined to be F52PcZn, highlighting the importance of the value of n and structural features in their applications.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Giuseppina Magri, Andrea Folli, Damien M. Murphy
Summary: This study investigates the ground state changes of (R,R-')-N,N-'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino Co(II) complex upon coordination of different pyridyl substrates. The results show a tentative dependency on the pKa-H of the substrates for the spin distribution in the resulting adducts.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Daniel Schmidt, Nikolaus Falb, Ilenia Serra, Marzia Bellei, Vera Pfanzagl, Stefan Hofbauer, Sabine Van Doorslaer, Gianantonio Battistuzzi, Paul G. Furtmuller, Christian Obinger
Article
Chemistry, Inorganic & Nuclear
Roberta Sgammato, Niels Van Brempt, Roy Aerts, Sabine Van Doorslaer, Sylvia Dewilde, Wouter Herrebout, Christian Johannessen
Summary: Protoglobin from Methanosarcina acetivorans (MaPgb) is a dimeric globin belonging to the same lineage as globin-coupled sensors. It has a putative role in scavenging reactive nitrogen and oxygen species. Through various spectroscopic techniques, the unusual reaction of ferric MaPgb with nitrite was revealed. Unlike other globins, nitrite did not induce the formation of a nitriglobin form in MaPgb. Instead, it led to the formation of a stable nitric-oxide ligated ferric form of the protein (MaPgb-NO) in mildly acidic pH. The changes in the optical and vibrational properties of MaPgb upon nitric-oxide ligation provide insights into its gas-binding mechanism.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Giuseppina Magri, Michael Barter, Jack Fletcher-Charles, Heungjae Choi, Daniel Slocombe, Emma Richards, Andrea Folli, Adrian Porch, Damien M. Murphy
Summary: A custom-built dual-mode EPR resonator was used to study the radical chemistry of AIBN thermal decomposition. The results showed that the distribution of radicals observed by EPR varied under different heating conditions. Microwave-induced heating provided faster and easier heating capabilities but may lead to the non-detection of radical intermediates.
RESEARCH ON CHEMICAL INTERMEDIATES
(2023)
Article
Chemistry, Physical
Kavipriya Thangavel, Paolo Cleto Bruzzese, Matthias Mendt, Andrea Folli, Katharina Knippen, Dirk Volkmer, Damien M. Murphy, Andreas Poeppl
Summary: The chemical bonding between NO and open-shell Ni-II ions within a metal-organic framework is fully characterized by EPR spectroscopy and computational methods. High-frequency EPR experiments reveal the presence of unsaturated Ni-II ions with five-fold coordination. Through advanced EPR methodologies and DFT/CASSCF modeling, the covalency of the metal-NO and metal-framework bonds are directly quantified, providing insights into the complex electronic structure and microscopic arrangement of Ni-II-NO species.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Rebekah L. Taylor, Duncan Housley, Michael Barter, Adrian Porch, Keith Whiston, Andrea Folli, Damien M. Murphy
Summary: This study investigated the influence of varying water/acetic acid ratios on the structure and coordination environment of Co/Mn/Br catalyst, suggesting tetrahedral Co2+ species form with 2 or 3 Br- ligands at low water content. EPR linewidth changes in Mn2+ signals were correlated with water content, showing variations in coordination sphere. Findings provide insight into the relationship between solvent composition and catalyst structure.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Jacob N. Spencer, Andrea Folli, Hong Ren, Damien M. Murphy
Summary: CW EPR spectroscopy was used to study defect structure and electron transfer mechanism in LiBO2-V2O5 mixed conductive glasses. Different signal features and activation energy consistent with other conducting glasses were observed, indicating distinct electron transfer mechanisms with increasing V2O5 content.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)