Organometallic Nucleosides: Synthesis and Biological Evaluation of Substituted Dicobalt Hexacarbonyl 2′-Deoxy-5-oxopropynyluridines

Organometallic Nucleosides: Synthesis and Biological Evaluation of Substituted Dicobalt Hexacarbonyl 2′‐Deoxy‐5‐oxopropynyluridines

Stressed out: Dicobalt hexacarbonyl 5-oxopropynyl-2′-deoxyuridines and a corresponding 1,1-bis(diphenylphosphino)methane (dppm) complex are investigated. The cobalt carbonyl unit is essential to achieve a cytotoxic effect against HeLa and K562 human cancer cells in vitro; the formation of reactive oxygen species in K562 cells indicates that the mechanism of action may be related to the induction of oxidative stress.

[Full Paper]
Renata Kaczmarek, Dariusz Korczyński, Karolina Królewska-Golińska, Kraig A. Wheeler, Ferman A. Chavez, Agnieszka Mikus, Roman Dembinski
ChemistryOpen, January 18, 2018, https://doi.org/10.1002/open.201700168 Read article

Safe-by-Design Ligand-Coated ZnO Nanocrystals Engineered by an Organometallic Approach: Unique Physicochemical Properties and Low Toxicity toward Lung Cells

Safe‐by‐Design Ligand‐Coated ZnO Nanocrystals Engineered by an Organometallic Approach: Unique Physicochemical Properties and Low Toxicity toward Lung Cells

Small but safe: A one-pot, self-supporting organometallic approach was used to synthesize stable ZnO nanocrystals (NCs) with a densely packed shell of 2-(2-methoxyethoxy)acetate ligands (see figure) as a model system for toxicological studies. These brightly luminescent ZnO NCs exhibit low toxicity, despite their small average core diameter of 4–5 nm, ultralong-lived luminescence, and EPR silence.

[Full Paper]
Małgorzata Wolska-Pietkiewicz, Katarzyna Tokarska, Agnieszka Grala, Anna Wojewódzka, Elżbieta Chwojnowska, Justyna Grzonka, Piotr J. Cywiński, Krzysztof Kruczała, Zbigniew Sojka, Michał Chudy, Janusz Lewiński
Chem. Eur. J., January 17, 2018, https://doi.org/10.1002/chem.201704207 Read article

Switching Multivalent DNA Complexation using Metal-Controlled Cationic Supramolecular Self-Assemblies

Switching Multivalent DNA Complexation using Metal‐Controlled Cationic Supramolecular Self‐Assemblies

On demand: Metal coordination and scavenging processes enable the switching of multivalent DNA complexation through the controlled self-assembly of cationic grid complexes.

[Communication]
Wojciech Drożdż, Yannick Bessin, Virginie Gervais, Xiao-Yu Cao, Jean-Marie Lehn, Artur R. Stefankiewicz, Sébastien Ulrich
Chem. Eur. J., January 16, 2018, https://doi.org/10.1002/chem.201705630 Read article

Flavin Photocatalysts for Visible-Light [2+2] Cycloadditions: Structure, Reactivity and Reaction Mechanism

Flavin Photocatalysts for Visible‐Light [2+2] Cycloadditions: Structure, Reactivity and Reaction Mechanism

New flavins useful for photocatalysis! New flavin-type photocatalysts, alloxazines and deazaflavins, which are no riboflavin derivatives, are demonstrated to be suitable dyes for [2+2] cycloadditions enabling reactions both of electron-poor and electron rich-substrates without any additives through an energy-transfer mechanism.

[Full Paper]
Viktor Mojr, Gabriela Pitrová, Karolína Straková, Dorota Prukała, Sabina Brazevic, Eva Svobodová, Irena Hoskovcová, Gotard Burdziński, Tomáš Slanina, Marek Sikorski, Radek Cibulka
ChemCatChem, January 15, 2018, https://doi.org/10.1002/cctc.201701490 Read article

Shortfall of B3LYP in Reproducing NMR JCH Couplings in Some Isomeric Epoxy Structures with Strong Stereoelectronic Effects: A Benchmark Study on DFT Functionals

Shortfall of B3LYP in Reproducing NMR JCH Couplings in Some Isomeric Epoxy Structures with Strong Stereoelectronic Effects: A Benchmark Study on DFT Functionals

Accuracy assessment: Reliable prediction of NMR parameters is crucial for conformation analysis of (bio)organic systems. The accuracy of 53 DFT methods (embracing 27 functionals and up to nine NMR-specialized basis sets) in calculations of coupling constants is benchmarked against 225 experimental nJCH (n=1–3) values of six diastereomeric tricyclic epoxides in CDCl3 solution (see figure).

[Article]
Jasper Adamson, Ryszard B. Nazarski, Jüri Jarvet, Tõnis Pehk, Riina Aav
ChemPhysChem, January 12, 2018, https://doi.org/10.1002/cphc.201701125 Read article

Biocatalytic Racemization Employing TeSADH: Substrate Scope and Organic Solvent Compatibility for Dynamic Kinetic Resolution

Biocatalytic Racemization Employing TeSADH: Substrate Scope and Organic Solvent Compatibility for Dynamic Kinetic Resolution

Racemization—Yes it can: Investigation of the substrate scope of a thermophilic alcohol dehydrogenase variant demonstrated its applicability for racemization of sec-alcohols. The racemization under various conditions (buffer, micro aqueous, biphasic) was evaluated with the aim of getting closer to the efficient bis-enzymatic dynamic kinetic resolution of sec-alcohols.

[Full Paper]
Jarosław Popłoński, Tamara Reiter, Wolfgang Kroutil
ChemCatChem, January 09, 2018, https://doi.org/10.1002/cctc.201701395 Read article

An Effective Catalytic Hydroboration of Alkynes in Supercritical CO2 under Repetitive Batch Mode

An Effective Catalytic Hydroboration of Alkynes in Supercritical CO2 under Repetitive Batch Mode

Batch by batch: A facile method for the synthesis of unsaturated organoboron compounds by hydroboration of terminal and internal alkynes in supercritical (sc) CO2 is presented. The scCO2 catalytic systems have been successfully tested for the processes under repetitive batch conditions. This strategy permitted boryl-substituted olefins to be obtained with high yields and selectivities up to the 16th catalytic cycle if using Ru(CO)Cl(H)(PPh3)3 as a catalyst.

[Full Paper]
Jakub Szyling, Adrian Franczyk, Kinga Stefanowska, Mateusz Klarek, Hieronim Maciejewski, Jędrzej Walkowiak
ChemCatChem, January 05, 2018, https://doi.org/10.1002/cctc.201701318 Read article

Ex Situ Evidence for the Role of a Fluoride-Rich Layer Switching the Growth of Nanopores to Nanotubes: A Missing Piece of the Anodizing Puzzle

Ex Situ Evidence for the Role of a Fluoride‐Rich Layer Switching the Growth of Nanopores to Nanotubes: A Missing Piece of the Anodizing Puzzle

Nanotubes or nanopores? The reason for the formation of anodic nanotubes such as TiO2 and FexOy has remained unclear so far. For the first time, the presence of a fluoride-rich layer (red color) responsible for shaping nanopores into nanotubes is directly imaged by using high-resolution TEM/EDS elemental mapping.

[Article]
Khurram Shahzad, Damian Kowalski, Chunyu Zhu, Yoshitaka Aoki, Hiroki Habazaki
ChemElectroChem, December 29, 2017, https://doi.org/10.1002/celc.201701103 Read article

Spin State Crossover, Vibrational, Computational, and Structural Studies of FeII 1-Isopropyl-1H-tetrazole Derivatives

Spin State Crossover, Vibrational, Computational, and Structural Studies of FeII 1‐Isopropyl‐1H‐tetrazole Derivatives

[Fe(iptz)6]X2 (X = BF4, ClO4) (iptz = 1-isopropyl-1H-tetrazole) have a gradual and incomplete spin conversion around 95 K, as well as a reversible thermochromic effect. The X-ray crystal structures of these and [Fe(iptz)2(H2O)2(CH3SO3)2], [Fe(iptz)4Cl2], and [Fe(iptz)4(NCS)2] (two polymorphs; the first FeII mononuclear thiocyanato complex with coordinated 1-R-1H-tetrazole ligands) are presented. The impact of the Fe–N(CS) bond length and the electronic energy of the tilt of the NCS anions for a series of spin crossover complexes is discussed.

[Full Paper]
Valentin Smeets, Mariusz Wolff, Juliusz A. Wolny, Volker Schünemann, Marinela M. Dîrtu, Jun-Yi Ge, Johan Vanacken, Victor Moshchalkov, Yann Garcia
Eur. J. Inorg. Chem., December 05, 2017, https://doi.org/10.1002/ejic.201700981 Read article