Results 121 to 130 of about 20,841 (234)

Protonation‐Induced Electron Density Redistribution Facilitates Aggregation in PNNP Dicopper Hydride Complexes

Chemistry – A European Journal, EarlyView.
Copper(I) hydride complexes often exhibit diverse aggregation behavior that can profoundly influence their structure and reactivity. In this study we use a combined experimental and computational approach to identify key structural an electronic factors that govern aggregation in PNNP dicopperhydride complexes.
Roel Laurentius Maria Bienenmann, Chattawat Thangsrikeattigun, Alexandra Julia Schanz, Martin Lutz, Mu‐Hyun Baik, Daniël Laurens Johannes Broere   +5 more
wiley   +1 more source

A High Energy Barrier DyIII2 Single‐Molecule Magnet Supported by a Bulky, Anionic N–O Bridging Ligand

Chemistry – A European Journal, EarlyView.
Complex [Dy2(hynad)2(dbm)4] was prepared by the employment of the anionic N–O‐based bridging and chelating N‐hydroxy‐1,8‐naphthalimide ligand, featuring a {Dy2(µ‐OR)2}4+ core and exhibiting zero‐field SMM behavior with a Ueff value of 171 K and double‐S‐shaped hysteresis loops, open up to 3.5 K.
Alexandros S. Armenis, Concepción Molina‐Jirón, Konstantinos N. Pantelis, Wolfgang Wernsdorfer, Mario Ruben, Eufemio Moreno‐Pineda, Theocharis C. Stamatatos   +6 more
wiley   +1 more source

Phosphorescent Iridium Hydrazinonicotinic Acid (HYNIC) Complexes That Bind to Prostate Specific Membrane Antigen: Potential Photodynamic Therapy of Prostate Cancer

Chemistry – A European Journal, EarlyView.
A phosphorescent iridium(III) complex has been prepared with a 6‐hydrazinonicotinic acid (HYNIC) ligand tethered to a lysine‐ureido‐glutamatic acid pharmacophore, which binds to an enzyme, called prostate‐specific membrane antigen (PSMA), which is overexpressed in prostate cancer.
La'El Kimchi, Emily R. McGowan, Katherine A. Morgan, Jonathan M. White, Trevor A. Smith, Stacey E. Rudd, Paul S. Donnelly   +6 more
wiley   +1 more source

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

Chemistry – A European Journal, EarlyView.
Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer, Julen Munarriz, Thijs Stuyver, Ruben Laplaza   +3 more
wiley   +1 more source

Alkali‐Metal Base Catalyzed Electrocyclization of Isoprene Derivatives

Chemistry – A European Journal, EarlyView.
Simple and abundant alkali‐metal base catalysis in combination with Lewis basic polyamines enables the electrocyclization of isoprene‐derived trienes to cycloheptadienes under neat conditions. Mechanistic insight supported by DFT guides a scalable route to seven‐membered carbocycles which, after reduction, give saturated cycloalkanes relevant as ...
Mikaël Le Roch, Krzysztof Piech, Aurélien Crochet, Andreu Tortajada   +3 more
wiley   +1 more source

Is the Signal Worth the Noise? A Practical Guide to Charge-Tagging for ESI-MS Reaction Monitoring. [PDF]

ACS Org Inorg Au
Killeen C, Turner MA, McIndoe JS.
europepmc   +1 more source

Bioremediation of organometallic compounds by bacterial degradation. [PDF]

Indian J Microbiol, 2012
Shah J, Dahanukar N.
europepmc   +1 more source

Dinuclear Group 4 Metallocene Catalysts of the Type [(Cp2M)2(μ‐Me)(μ‐C2R)]: Structure‐Activity Relationships in Ethylene Polymerization

Chemistry – A European Journal, EarlyView.
Homo‐ and heterodinuclear group 4 metallocene complexes of the type [(Cp2M)2(μ‐Me)(μ‐C2R)] (M = Ti, Zr) are active catalysts for the polymerization of ethylene in the presence of aluminium‐free activators. The catalytically active species are proposed to have dinuclear character and depending on the type of activator, unique reactivity was observed ...
Hanan Al Hamwi, Mirko Rippke, Anke Spannenberg, Michal Horáček, Jiří Pinkas, Vojtěch Varga, Martin Lamač, Fabian Reiß, Torsten Beweries   +8 more
wiley   +1 more source

Covalent Insertion of a Mn(Salen) Type Complex in Cross‐Linked Protein Crystals: Design of an Enantioselective Artificial Epoxidase

Chemistry – A European Journal, EarlyView.
An Artificial metalloenzyme was designed by a Michael addition between a MnSalen complex and a cysteine residue within NikA crystals. The heterogeneous catalyst was found capable of an enantioselective and stereospecific epoxidation of cis‐β‐methylstyrene in cristallo.
Manel Boukhallat, Ismail Benhamed, Jade Arnone, Stann Van Baaren, Clara Rinaldi, Patrice Catty, Caroline Marchi‐Delapierre, Christine Cavazza, Stéphane Ménage   +8 more
wiley   +1 more source

Organometallic Complexes with an Indolo[2,3-<i>c</i>]Quinoline-Derived Ligand: From Structural Features and Solution Speciation to Nanoformulation for Enhanced Therapeutic Potential. [PDF]

Inorg Chem
Pivarcsik T, Várkonyi EF, Mészáros JP, Dömötör O, Nové M, Spengler G, May NV, Bombicz P, Wittmann C, Bacher F, Arion VB, Csapó E, Enyedy ÉA.   +12 more
europepmc   +1 more source