Article
Chemistry, Physical
Jordan Lapp, Steve Scheiner
Summary: The study investigates the effects of electron-withdrawing substituents (EWS) on halogen bond (XB) properties, finding that increasing the number of triple bonds in alkynes enhances the strength of XB, while elongating alkene chains has minimal impact and the cyano group has a stronger effect than fluorine. In aromatic iodobenzene, it is observed that the effects of EWS diminish with distance, with EWS on the phenyl ring exhibiting the strongest effect and disubstitution having nearly additive effects.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Multidisciplinary
Shiqing Huang, Yedong Wang, Chubin Hu, Xiaoyu Yan
Summary: The study focuses on the electronic properties of 1,2,3-triazol-5-ylidenes, showing that introducing p-block elements can easily tune their electronic properties and introduce various interaction sites in multiple systems.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Kirill M. Kuznetsov, Ilya S. Kritchenkov, Julia R. Shakirova, Vladislav V. Gurzhiy, Vladimir V. Pavlovskiy, Vitaly V. Porsev, Viktor V. Sokolov, Sergey P. Tunik
Summary: Nine novel heteroleptic Ir(III) complexes were synthesized, with six of them displaying phosphorescence in the deep red and NIR regions. The variation in orthometalating ligands resulted in dramatic changes in photophysical behavior, affecting the emission characteristics of the compounds.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Na Li, Chunhong Tan, Yi Feng, Lu Cheng, Meng Cao, Yunkai Sun, Xiao-Feng Wang
Summary: Four luminescent di-copper(I) coordination compounds were synthesized and characterized in this study. X-ray crystallographic studies revealed two different Cue-core structural configurations induced by different sized halogen anions.
Article
Chemistry, Physical
Tian-Tian Wang, Han Yan, Zi-Wei Che, Wen-Bin Sun
Summary: A series of Zn-II-Dy-III complexes with similar structural cores bridged by a hexadentate salen-type ligand were synthesized and characterized. These complexes exhibit field-induced single-molecule magnet behavior.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Maria Azmanova, Laia Rafols, Patricia A. Cooper, Colin C. Seaton, Steven D. Shnyder, Anais Pitto-Barry
Summary: This study presents the synthesis, characterization, and evaluation of the in vitro cytotoxicity of five maleonitriledithiolate-based ruthenium metal complexes with various phosphine ligands. These complexes showed promising in vitro cytotoxicity against ovarian and lung cancer cell lines, as well as no toxicity in preliminary in vivo pilot studies. The mechanism of action suggests an apoptotic pathway based on ROS production.
Article
Biochemistry & Molecular Biology
Francesco Fagnani, Alessia Colombo, Graziella Malandrino, Claudia Dragonetti, Anna Lucia Pellegrino
Summary: Substituting the diglyme ligand with simple 1,10-phenanthroline in [Eu(hfa)(3)(diglyme)] results in a six-fold increase in mu beta(EFISH), as measured by EFISH technique. Similarly, [Eu(tta)(3)(1,10-phenanthroline)] shows a large second-order NLO response, indicating great potential for use as multifunctional materials for photonics.
Article
Chemistry, Multidisciplinary
Jin Tong, Li-Rong Zhao, Jin Zhang, Xia-Yan Wang, Yan-Min Yu, Shu-Yan Yu
Summary: A series of new heteroleptic copper(I) complexes have been successfully synthesized and their crystal structures have been determined by X-ray diffraction. These copper(I) complexes exhibit turn-on emission sensing for halogen ions, with the differences in fluorescence intensity easily distinguished by the naked eye under UV light illumination. The H-1 NMR titration and theoretical calculations further confirmed the hydrogen-bond interaction between the halide ions and the pyrazole groups.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Gianluca Ciancaleoni, Fabio Marchetti, Claudio Santi, Orsola Merlino, Stefano Zacchini
Summary: In this study, the interaction between N,N-dimethyl-selenobenzoamide and various Lewis acids of different strengths was analyzed using a combined experimental and theoretical approach. The increase of the rotational barrier for the C-NMe2 bond was observed in all cases and quantified using H-1 variable temperature-exchange NMR spectroscopy. The crystal structure of the adduct with B(C6F5)(3) was determined, revealing a lengthened Se-C bond and a double bond characteristic for the C-NMe2 bond. Computational studies provided valuable insights into the effect of different Lewis acids on the electronic structure of the compound. The advantages and limitations of this new method for characterizing chemical interactions were discussed.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Analytical
Anjli Hooda, Anuj Dalal, Kapeesha Nehra, Pawan Kumar, Devender Singh, Sumit Kumar, Rajender Singh Malik, Ramesh Kumar, Parvin Kumar
Summary: A series of lanthanide beta-diketonates with heteroaromatic auxiliary ligands were synthesized and characterized. The complexes exhibited high thermal stability and emitted light, making them potential emitting materials for organic light-emitting diodes.
Article
Chemistry, Multidisciplinary
Marcel Mirel Popa, Sergiu Shova, Mihaela Dascalu, Mino R. R. Caira, Florea Dumitrascu
Summary: Single crystal X-ray diffraction analysis and Hirshfeld analysis were used in this study to investigate the supramolecular properties of five 5-brominated pyrazoles. The results revealed the formation of Br·O or Br·Br type halogen contacts in these compounds. Structural analysis showed the isostructurality of compounds 2 and 3, while compound 5 was found to be isostructural with its iodo-analogue, indicating the importance of halogen contacts in these compounds.
Article
Chemistry, Inorganic & Nuclear
Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson
Summary: By tuning the oxidation potential and introducing electron-withdrawing ligands, the stability of quad-ruply bonded dimolybdenum paddlewheel complexes towards atmospheric oxygen can be increased, making them more suitable for use in functional materials.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Joshua J. Sutton, Dan Preston, Philipp Traber, Johannes Steinmetzer, Xue Wu, Surajit Kayal, Xue-Z Sun, James D. Crowley, Michael W. George, Stephan Kupfer, Keith C. Gordon
Summary: The optical properties of two Re(CO)(3)(bpy)Cl complexes with different substituents were studied, revealing distinct charge transfer bands in their absorption spectra and two emissive states in their excited-state spectroscopy which are modulated by solvent. Time-resolved infrared spectroscopy identified the nature of the excited states in different solvents, with DFT calculations suggesting that the switching of properties induced by solvent is controlled by spin-orbit coupling.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Nataliya Glinyanaya, Gennady F. Rayenko, Nikolai Korotkikh, Eduard B. Rusanov, Alexey B. Ryabitsky, Oles P. Shvaika
Summary: A series of new stable halogenated carbenes have been synthesized, with one carbene showing the least basic properties. Heating these carbenes in organic solvents leads to the formation of new compounds. Reactions of the carbenes with various compounds result in the formation of zwitterionic compounds. Data on the X-ray diffraction studies of these carbenes and their complexes are provided.
Article
Chemistry, Inorganic & Nuclear
Guilhem Claude, Erika Kulitzki, Adelheid Hagenbach, Maximilian Roca Jungfer, Joshua S. Figueroa, Ulrich Abram
Summary: The reactions of [Re(NPhF)Cl-3(PPh3)(2)] with various alkyl and aryl isocyanides were investigated. Different reactivity patterns and products were obtained depending on the steric and electronic properties of the ligands. The stability of the products was correlated with the substitution pattern of the isocyanide ligands. The products were studied using X-ray diffraction, spectroscopic methods, and mass spectrometry, and the reactions were monitored using F-19 NMR.
DALTON TRANSACTIONS
(2023)
Article
Oncology
Jerneja Kladnik, James P. C. Coverdale, Jakob Kljun, Hilke Burmeister, Petra Lippman, Francesca G. Ellis, Alan M. Jones, Ingo Ott, Isolda Romero-Canelon, Iztok Turel
Summary: Ovarian cancer is a common cancer in the developing world, and resistance to platinum-based anticancer agents is a growing concern in treatment. A new family of organoruthenium(II) pyrithione complexes were explored for their efficacy towards platinum-resistant ovarian cancer cells, showing high potency and a unique mechanism of action compared to platinum agents. This study highlights the development of next-generation anticancer agents that can overcome resistance to existing therapies and the potential of transition metal complexes in multi-targeting mechanisms.
Article
Biochemistry & Molecular Biology
Tomaz Trobec, Kristina Sepcic, Monika Cecilija Zuzek, Jerneja Kladnik, Nina Podjed, Catarina Cardoso Pascoa, Iztok Turel, Robert Frangez
Summary: The study demonstrates the significance of different structural elements of organoruthenium complexes for their inhibitory activities against ChEs and GSTs. Some compounds show potential as drugs for further testing.
Article
Pharmacology & Pharmacy
Alexandra Kostelidou, Franc Perdih, Jakob Kljun, Foteini Dimou, Stavros Kalogiannis, Iztok Turel, George Psomas
Summary: A series of complexes of divalent transition metals with the quinolone antibacterial agent fleroxacin were prepared and characterized. The complexes showed higher antibacterial activity than free quinolone and exhibited tight binding to serum albumin and DNA.
Article
Biochemistry & Molecular Biology
Marko Novinec, Primoz Bembic, Milica Jankovic, Marija Kisilak, Jakob Kljun, Iztok Turel
Summary: Heavy metal ions, such as gallium and cerium, can inhibit the activity of human papain-like cysteine endopeptidases, while zinc and lead ions are known inhibitors of thiol enzymes. The inhibition constants of Ga3+, Ce3+, and Ce4+ ions are comparable to Zn2+ ions, indicating their potential as cysteine cathepsin inhibitors. These ions also inhibit the degradation of elastin, suggesting their possible application in treating inflammatory diseases.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Jerneja Kladnik, Ana Dolinar, Jakob Kljun, David Perea, Judith Grau-Exposito, Meritxell Genesca, Marko Novinec, Maria J. Buzon, Iztok Turel
Summary: The study synthesized and evaluated zinc pyrithione and its analogues, as well as a ruthenium pyrithione complex, for their stability and anti-SARS-CoV-2 activity in biologically relevant media. Zinc pyrithione showed potent inhibition of cathepsin L and PLPro, enzymes involved in SARS-CoV-2 entry and replication, as well as antiviral activity in ex vivo system derived from human lung tissue.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2022)
Article
Pharmacology & Pharmacy
Jakob Kljun, Renata Pavlic, Eva Hafner, Tanja Lipec, Sara Moreno-Da Silva, Primoz Tic, Iztok Turel, Tomaz Budefeld, Jure Stojan, Tea Lanisnik Rizner
Summary: This study presents the synthesis and kinetic studies of organoruthenium compounds with different ligands and their inhibitory activity towards AKR1C enzymes. It also examines their potential as anticancer agents for chemoresistant ovarian cancer. Results show that these compounds are potent inhibitors of AKR enzymes and exhibit a unique inhibitory mechanism. Additionally, they demonstrate moderate yet better anti-proliferative and anti-migration effects on chemoresistant ovarian cancer cells.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Chemistry, Physical
Darinka Darmanovic, Dusanka Radanovic, Mima Jevtovic, Iztok Turel, Andrej Pevec, Milos Milcic, Maja Gruden, Matija Zlatar, Natasa Dordevic, Katarina Andelkovic, Bozidar Cobeljic
Summary: Two Co(III) complexes with condensation products of thiosemicarbazide and 2-acetylthiazole and the condensation product of 2-acetylpyridine and Girard's P reagent have been synthesized and characterized. The coordination preferences of these ligands towards Co(III) ion have been investigated using single-crystal X-ray diffraction, NMR, IR spectroscopy, and elemental analysis. DFT calculations were also performed to further elucidate the coordination modes of the ligands.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Tomaz Trobec, Monika C. Zuzek, Kristina Sepcic, Jerneja Kladnik, Iztok Turel, Robert Frangez
Summary: Butyrylcholinesterase (BChE) is a therapeutic target for Alzheimer's disease. The organoruthenium(II) complex C1 was designed to selectively inhibit horse serum BChE. C1 showed no significant effect on nerve-evoked contractions but decreased the amplitude of miniature end-plate potentials (MEPP) and shortened the half-decay time of MEPPs and end-plate potentials (EPP). The results suggest a weak inhibitory effect on muscle-type nicotinic acetylcholine receptors (nAChR), but do not significantly affect neuromuscular transmission and skeletal muscle contraction.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Tina P. Andrejevic, Ivana Aleksic, Jakob Kljun, Marta Pockaj, Matija Zlatar, Sandra Vojnovic, Jasmina Nikodinovic-Runic, Iztok Turel, Milos I. Djuran, Biljana D. Glisic
Summary: Dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz) was used as a ligand to synthesize new copper(II) and silver(I) complexes. The structures of the complexes were determined by single crystal X-ray diffraction analysis, revealing the bidentate coordination mode of py-2pz to the metal ions. Silver(I) complexes showed good antimicrobial activity against bacteria and fungi. The binding affinity of the complexes with DNA and protein was studied to understand their antimicrobial mechanism. The copper(II) complexes exhibited biomimetic catalytic activity.
Article
Biochemistry & Molecular Biology
Jakob Kljun, Mihaela Rebernik, Lucia M. Balsa, Jerneja Kladnik, Uros Rapus, Tomaz Trobec, Kristina Sepcic, Robert Frangez, Ignacio E. Leon, Iztok Turel
Summary: Organoruthenium pyrithione complexes, such as [(eta(6)-p-cymene)Ru(pyrithionato)(pta)]PF6, show promise as a new class of anticancer drugs. Our study focuses on finding alternatives to the pta ligand and discovering new structural elements to improve the biological properties of ruthenium anticancer drugs. By replacing the pta ligand with different phosphine, phosphite, and arsine ligands, we identified improved inhibitory potency against the enzyme glutathione S-transferase, as well as investigated cytotoxicity in breast, bone, and colon cancers.
Article
Chemistry, Multidisciplinary
Andrea Geri, Lara Massai, Marko Novinec, Iztok Turel, Luigi Messori
Summary: Medicinal gold compounds exert their pharmacological effects by binding to protein targets. In this study, the reactions between seven representative gold compounds and the cysteine protease cathepsin B were explored, revealing strong interactions with the free cysteine in the enzyme. The findings suggest that the chemical nature of the gold compound plays a significant role in its interaction with proteins.
Correction
Biochemistry & Molecular Biology
Jerneja Kladnik, Ana Dolinar, Jakob Kljun, David Perea, Judith Grau-Exposito, Meritxell Genesca, Marko Novinec, Maria J. Buzon, Iztok Turel
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2022)
Article
Oncology
Angelika Vizintin, Stefan Markovic, Janez Scancar, Jerneja Kladnik, Iztok Turel, Damijan Miklavcic
Summary: The study found that equivalent nanosecond pulses are equally effective in electrochemotherapy as standardly used 8 x 100 mu s pulses. The number of intracellular cisplatin molecules strongly correlates with cell survival for B16F1 cells, but less for CHO cells, implying the possible involvement of other mechanisms in electrochemotherapy. High-voltage electric pulses do not alter the structure of cisplatin.
RADIOLOGY AND ONCOLOGY
(2022)
Article
Chemistry, Inorganic & Nuclear
Tina P. Andrejevi, Ivana Aleksic, Jakob Kljun, Bojana Pantovic, Dusan Milivojevic, Sandra Vojnovic, Iztok Turel, Milos Djuran, Biljana D. Glisic
Summary: In this study, two isostructural ferrocene complexes were synthesized and evaluated for their antimicrobial and cytotoxic activities. Complex 1 showed moderate activity against Candida strains and higher cytotoxicity compared to complex 2. Both complexes had no effect on the survival rate of C. elegans. Complex 2 inhibited filamentation of C. albicans, while complex 1 was more effective in inhibiting biofilm formation. Additionally, the binding affinity of the complexes with DNA and protein was studied.
Article
Chemistry, Inorganic & Nuclear
Nevena Lj. Stevanovic, Jakob Kljun, Ivana Aleksic, Sanja Skaro Bogojevic, Dusan Milivojevic, Aleksandar Veselinovic, Iztok Turel, Milos I. Djuran, Jasmina Nikodinovic-Runic, Biljana D. Glisic
Summary: This study synthesized and evaluated a series of gold(III) complexes, which exhibited strong antimicrobial and antifungal activities. Furthermore, these complexes were able to inhibit ergosterol biosynthesis, reduce the production of virulence factors in Pseudomonas aeruginosa, and improve cell survival after bacterial exposure.
DALTON TRANSACTIONS
(2022)