Article
Biochemistry & Molecular Biology
Luca Bagnarelli, Alessandro Dolmella, Carlo Santini, Riccardo Vallesi, Roberto Giacomantonio, Serena Gabrielli, Maura Pellei
Summary: The newly synthesized dimeric copper(II) bromide complex exhibited efficient catalytic performance in allylic functionalization through a Kharasch-Sosnovsky reaction, achieving up to 90% yield of allylic benzoates. The complex features a distorted square pyramidal geometry with five-coordination, demonstrating significant improvements in reaction rate and reagent amounts compared to traditional Kharasch-Sosnovsky reactions.
Article
Chemistry, Inorganic & Nuclear
Francesca Velluti, Ana Acevedo, Gloria Serra, Javier Ellena, Graciela Borthagaray, Gianella Facchin, Laura Scarone, Natalia Alvarez, Maria H. Torre
Summary: A novel bisthiazole ligand and its copper(II) complex were synthesized and characterized in terms of structure and antimicrobial activity. The ligand forms pentacoordinated copper(II) center with intermediate geometry, showing potential antimicrobial properties.
Article
Engineering, Chemical
Periyasamy Durainatarajan, Mallaiah Prabakaran, Subbaratnam Ramesh
Summary: This paper reports the use of APMI self-assembled monolayers on copper surfaces to enhance anticorrosion properties. Various surface analyses were conducted to study the structure, bonding, chemical compositions, wettability, and morphology of APMI SAMs on copper surfaces. The results showed that APMI SAMs effectively prevented corrosion reactions on copper surfaces.
JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Inorganic & Nuclear
Suffora Akhter, Salman Khursheed, Farukh Arjmand, Sartaj Tabassum
Summary: In this study, bio-compatible water-soluble conjugates of Co(II), Cu(II), and Zn(II) were synthesized and characterized. The spectroscopic techniques and crystallography confirmed the structure of the complexes. The DNA binding interaction studies revealed the mode of binding, DNA cleavage, chemical shift changes, EPR parameter alterations, SOD mimetic activity, and cytotoxicity of the complexes. Molecular docking studies further confirmed the electrostatic interaction of the complexes with DNA groove region.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Mei-Juan Xie, Wen-Fei Wang, Bao-Yi Li, Juan Gao, Yun-Fan Yan, Jian Lu, Fa-Kun Zheng, Guo-Cong Guo
Summary: Lead(II)-based coordination polymers (CPs) materials have attracted great interest in the field of radiation detection due to their strong X-ray attenuation and beneficial optoelectronic properties. In this work, a X-ray responsive scintillating 1D Pb(II)-CP material was synthesized by the self-assembly approach and showed competitive sensitivity and detection limit towards X-ray compared to classical scintillators PbWO4 (PWO), anthracene and some reported SMOFs.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Salman A. Khan, Qasim Ullah, Humaira Parveen, Sayeed Mukhtar, Khalid Ahmed Alzahrani, Mohammad Asad
Summary: The designed and synthesized aminophenylbenzimidazole derivative of theonyl trifluoro acetone has shown selective colorimetric and ratiometric fluorescence changes with copper(II), as well as turn-on fluorescence behavior with fluoride ions. The probe can detect copper ions via electrochemical detection and has high sensitivity towards fluoride ions among other anions, with detection limits found to be 23 nM for Cu(II) and 0.54 nM for fluoride ions.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Raheel Ahmad, Alexei M. Tyryshkin, Lingjun Xie, William. A. Hansen, Brahm J. Yachnin, Ashraf Mashrai, Sagar D. Khare, Spencer Knapp
Summary: Precise metal-protein coordination by design is challenging. A new method involving the irreversible attachment of bis(1-methylimidazol-2-yl)ethene (BMIE) to cysteine has been developed. This method allows for compact imidazole-based metal-coordinating ligands. The utility of this method has been confirmed through the modification of a model protein, carboxypeptidase G2 (CPG2).
JOURNAL OF INORGANIC BIOCHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Victor Garcia-Lopez, Niccolo Giaconi, Lorenzo Poggini, Joaquin Calbo, Amelie Juhin, Brunetto Cortigiani, Javier Herrero-Martin, Enrique Orti, Matteo Mannini, Miguel Clemente-Leon, Eugenio Coronado
Summary: The synthesis and characterization of a new Co(II) spin-crossover (SCO) complex based on a 4'-(4-carboxyphenyl)-2,2':6',2''-terpyridine ligand are described. The complex can be successfully grafted on the surface of silver while maintaining the spin-crossover behavior. Various techniques including AFM, MALDI-TOF MS, Raman spectroscopy, and XPS measurements confirmed the formation of a monolayer of intact molecules grafted onto the Ag surface through carboxylate groups. Raman spectroscopy, XPS, and XAS supported by first-principles calculations demonstrated a gradual spin transition of the deposited molecules with temperature, which is unprecedented for a monolayer of molecules directly grafted onto a metallic surface.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Ghodrat Mahmoudi, Ennio Zangrando, Barbara Miroslaw, Atash V. Gurbanov, Maria G. Babashkina, Antonio Frontera, Damir A. Safin
Summary: A new Hg(II) coordination compound with a unique pentacoordinated structure was synthesized, forming a 1D polymeric chain and a 2D layer with a binodal 3,4-connected hcb topology. The crystal packing is mainly characterized by intermolecular contacts, including H?H, H?C, H?N, H?S and C?C interactions.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
Ganesh S. Hegde, Satish S. Bhat, Sandeep P. Netalkar, Pooja L. Hegde, Avinash Kotian, Ray J. Butcher, Vidyanand K. Revankar
Summary: A series of ligand 3,5-di-tert-butyl-2-hydroxy-N?-((2-oxo-1,2-dihydroquinolin-3-yl)methylene)benzohydrazide and its metal complexes were synthesized and characterized using various techniques. The copper(II) complex showed the best antimicrobial activity, particularly against gram-positive S. Aureus.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
Ludmila Leroy, Thiago M. Francisco, Helena J. Shepherd, Mark R. Warren, Lucy K. Saunders, David A. Shultz, Paul R. Raithby, Carlos B. Pinheiro
Summary: In this study, single crystal X-ray diffraction was used to observe light-induced VT in the solid state, and controlled use of hard X-rays via attenuation was demonstrated to avoid X-ray-induced VT interconversion. High-yield light-induced VT in Co(diox)(2)(4-CN-py)(2) crystals illuminated with 450 nm light at 30 K was achieved, showing evidence of ls-CoIII to hsCoII interconversion. Such high-yield light-induced VT had never been experimentally observed in molecular crystals of cobalt tautomers before.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Applied
Saira Nayab, Shah Faisal, Waliullah Khan, Muhammad Ateeq, Sher Wali Khan, Eunhee Kim, Hyosun Lee
Summary: Cu (II), Zn (II), and Cd (II) complexes, [DEP(M)X-2], with a pyridine-derived Schiff-base ligand DEP, were synthesized. The complexes exhibited distorted square pyramidal and trigonal bipyramidal geometries. The DEP complexes showed superior antibacterial, fungicidal, and leishmanicidal inhibition potential compared to the free ligand. Additionally, the complexes exhibited high cytotoxicity against breast and colon carcinoma cells. The docking study confirmed the excellent inhibitory profile of [DEP (Cd)Br-2]. Overall, these complexes have the potential to be used in the development of new metal-derived candidates for the treatment of infectious diseases.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Sunil Kumar, Mukesh Choudhary
Summary: This work focuses on the synthesis and characterization of a copper(II) complex and its anticancer properties. The complex was characterized using various spectroscopic and physicochemical techniques and its crystal structure was analyzed. Molecular docking and simulations were performed to investigate the complex's interactions with SARS-CoV-2 and Escherichia coli proteins.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Andrzej Olczak, Tomasz Pawlak, Sylwia Kaluzynska, Katarzyna Gobis, Izabela Korona-Glowniak, Katarzyna Susniak, Marcin Zaborowski, Malgorzata Szczesio
Summary: Three new crystal structures of 1H-benzo[d]imidazole derivatives were determined, which exhibited an identical hydrogen bond system, C(4), in their structures. The quality of the obtained samples was tested using solid-state NMR. These compounds were evaluated for their in vitro antibacterial activity against Gram-positive and Gram-negative bacteria, as well as their antifungal activity, based on selectivity. ADME calculations indicated the potential of these compounds as drug candidates.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Inorganic & Nuclear
Laurenzo D. V. Alba, Tsubasa Hatanaka, Francisco C. Franco, Masaki Nojiri, Marissa G. Noel, Yasuhiro Funahashi
Summary: The crystal structure of a new silver complex of O-acetylsinigrin demonstrates chelating bonds of sulfated thiohydroximate and an η(2)-bond of the ethylene moiety with Ag(I). Mechanistic studies through H-1 NMR measurements and theoretical calculations suggest relevance to glucosinolate degradation in biological systems.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Justin Dubbert, Marco Valtolina, Alexander Huber, Tim D. Scherz, Christoph Woelper, Constantin G. Daniliuc, Ofer Filiba, Saumik Sen, Igor Schapiro, Fabio Rizzo, Jens Voskuhl
Summary: In this study, a series of chlorinated bridged ethers with varying numbers of sulfur and oxygen atoms were synthesized and their tunable photophysical properties in different aggregated states were investigated.
Article
Chemistry, Multidisciplinary
Jessica Neufeld, Constantin. G. G. Daniliuc, Ryan Gilmour
Summary: This study presents a regioselective fluorocyclisation of beta,gamma-unsaturated oximes through I(I)/I(III) catalysis, using p-iodotoluene as a cost-effective catalyst, Selectfluor((R)) as the oxidant, and an amine.HF complex as the fluoride and Bronsted acid source. The transformation produces 5-fluoromethylated isoxazolines, with a range of aliphatic and aromatic systems yielding up to 56%.
HELVETICA CHIMICA ACTA
(2023)
Article
Chemistry, Physical
Silviu Adrian Predoi, Steluta Carmen Ciobanu, Mariana Carmen Chifiriuc, Mikael Motelica-Heino, Daniela Predoi, Simona Liliana Iconaru
Summary: Water contamination is a global problem due to its negative effects on human organisms and the environment. Hydroxyapatite shows potential in decontaminating water by immobilizing pollutants. In this study, synthesized hydroxyapatite was used to remove Sr2+ ions from contaminated solutions. Batch adsorption experiments confirmed the strong affinity of hydroxyapatite nanoparticles for Sr2+ ions. Furthermore, cytotoxic assays showed no harmful effects of hydroxyapatite nanoparticles on HeLa cells.
Article
Infectious Diseases
Gabriela Dorcioman, Ariana Hudita, Bianca Galateanu, Doina Craciun, Ionel Mercioniu, Ovidiu Cristian Oprea, Irina Negut, Valentina Grumezescu, Alexandru Mihai Grumezescu, Lia Mara Ditu, Alina Maria Holban
Summary: In this study, wound dressings were improved by applying magnetite-based nanostructured coatings, which were functionalized with Nigella sativa and dicloxacillin. The combination of materials aimed to reduce microbial contamination and promote rapid wound healing. The stability, thermal degradation, morphology, and chemical composition of the coatings were characterized using various analytical techniques. The antimicrobial effect, biocompatibility, and regenerative properties of the nanostructured coatings were evaluated through in vitro experiments, showing enhanced antimicrobial effects against opportunistic bacteria.
Article
Biochemistry & Molecular Biology
Gratiela Gradisteanu Pircalabioru, Georgiana Alexandra Grigore, Ilda Czobor Barbu, Mariana-Carmen Chifiriuc, Octavian Savu
Summary: SARS-CoV-2 infection disrupts intestinal microbiota, particularly in patients with type 2 diabetes, leading to more severe disease outcomes. The infection results in changes in the gut microbiome, with an increase in pathogenic bacteria and a decrease in beneficial bacteria. Additionally, certain members of the microbiota are associated with the severity of the disease and inflammatory markers.
Article
Chemistry, Medicinal
Tobias Schierling, Beatrice Tosi, Clara Eisenhardt, Sophie Reining, Constantin G. Daniliuc, Christoph Brenker, Timo Struenker, Bernhard Wuensch
Summary: This article introduces a new and more effective inhibitor for studying sperm swimming behavior. The inhibitor is structurally simpler and easier to synthesize compared to existing inhibitors, and shows even better potency. It is envisioned to be widely used in future studies on the physiology of CatSper in sperm.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Yujie Liang, Fritz Paulus, Constantin G. Daniliuc, Frank Glorius
Summary: We report a BF3-catalyzed [2 + 2] cycloaddition reaction between aldehydes and bicyclo[1.1.0]butanes (BCBs) to access polysubstituted 2-oxabicyclo[2.1.1]hexanes. A new BCB containing an acyl pyrazole group was discovered, which not only facilitates the reactions but also allows for diverse downstream transformations. Additionally, aryl and vinyl epoxides can be used as substrates that undergo cycloaddition with BCBs after in situ rearrangement to aldehydes. These results will promote the exploration of complex sp(3)-rich bicyclic frameworks and BCB-based cycloaddition chemistry.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Jannik Reimler, Xiao-Ye Yu, Nico Spreckelmeyer, Constantin G. Daniliuc, Armido Studer
Summary: The Friedel-Crafts acylation reaction has been a valuable and versatile reaction, but a new radical approach for the acylation of arenes and heteroarenes is presented in this study. By using cooperative photoredox/NHC radical catalysis, C-H acylation is achieved with regiodivergent outcomes. Aroyl fluorides act as the acylation reagents in both the ionic and radical processes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Max Wienhold, Byeongseok Kweon, Calum McLaughlin, Matthias Schmitz, Till J. B. Zaehringer, Constantin G. Daniliuc, Christoph Kerzig, Ryan Gilmour
Summary: Amide groups are widely present in the chemical space continuum, and their structural and pharmacological importance as well as hydrolytic vulnerabilities drive the development of bioisosteres. Alkenyl fluorides have a long history as effective mimics, but emulating peptide bond isomerization with fluoro-alkene surrogates is challenging. This study presents a design of an ambiphilic linchpin that enables isomerization process, providing geometrically-programmable building blocks for small molecule amide and polyene isostere discovery.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Chaohuang Chen, Constantin G. Daniliuc, Gerald Kehr, Gerhard Erker
Summary: The neutral N-heterocyclic carbene stabilized boranotsignalkene 1, prepared by a BH borenium/hydroboration method, can form stable copper, gold, or palladium pi-complexes. The polar boranotsignalkene B=C system undergoes selective hydroboration reactions with (C6F5)(2)BH or C6F5BH2 center dot SMe2 boranes. The latter reaction involves subsequent rearrangement leading to the exchange of internal hydride and isothiocyanate substituents at the borane pair.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Multidisciplinary Sciences
Joel Haefliger, Louise Ruyet, Nico Stuebke, Constantin G. Daniliuc, Ryan Gilmour
Summary: In this article, a cascade reaction is validated to generate novel gem-difluorinated isosteres from 1,3-diaryl cyclobutanols in a single operation, utilizing the biological significance of partially saturated, fluorine-containing rings and the physicochemical advantages conferred by fluorination.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Jonas Elfert, Anup Bhunia, Constantin G. Daniliuc, Armido Studer
Summary: In this study, a radical transformation that enables intramolecular oxygen atom transfer to alkenes using the nitro functionality in nitroarenes as an oxygen donor is disclosed. The reaction proceeds via iron-catalyzed metal hydrogen atom transfer to alkenes and subsequent oxygenation, resulting in alkene hydration. Compared to intermolecular radical oxygenation, the intramolecular variant offers advantages, particularly in terms of diastereoselective radical hydration of conformationally flexible alkenes. The aryl moiety connecting the reactive NO2-functionality to the alkene substrate can be cleaved after oxygen transfer, yielding products derived from a formal diastereoselective intermolecular alkene hydration. Additionally, the resulting aniline entity after oxygen transfer can be used for the construction of nitrogen-containing heterocycles.
Article
Chemistry, Multidisciplinary
Zi-Xuan Wang, Keith Livingstone, Carla Huempel, Constantin G. Daniliuc, Christian Mueck-Lichtenfeld, Ryan Gilmour
Summary: Fluorinated small molecules are commonly used in the field of functional small molecules. Researchers have developed creative approaches to access these important materials by utilizing iodine(I)/iodine(III) catalysis to convert abundant alkene substrates into high-value (di)fluorinated products. They also discovered that enynes can be used as proxies for styrenes, simplifying the process and enabling the generation of highly versatile homopropargylic difluorides.
Article
Chemistry, Organic
Shyam Kumar Banjare, Dirk Leifert, Frauke Weidlich, Constantin G. Daniliuc, Fatmah A. Alasmary, Armido Studer
Summary: An oxidative radical cascade addition cyclization approach using eco-friendly iron catalysis and inexpensive tert-butylhydroperoxide (TBHP) as the oxidant has been reported for the synthesis of quinoline-based p-extended polyheterocyclic compounds. This method utilizes readily available ortho-alkynylated aromatic aldehydes as radical precursors and aryl isonitriles as radical acceptors. By applying this approach, quinolines that are p-conjugated with an additional heteroarene moiety can be prepared in a single sequence using indole and thiophene-based carbaldehydes.
Article
Multidisciplinary Sciences
Huamin Wang, Huiling Shao, Ankita Das, Subhabrata Dutta, Hok Tsun Chan, Constantin Daniliuc, K. N. Houk, Frank Glorius
Summary: In this study, a photoinduced ring enlargement method of thiophenes was developed, which involves the insertion of bicyclo[1.1.0]butanes to form eight-membered bicyclic rings under mild conditions. The synthetic value, broad functional-group compatibility, and excellent chemo- and regioselectivity were demonstrated by scope evaluation and product derivatization. Experimental and computational studies suggested a photoredox-induced radical pathway.