Results 111 to 120 of about 41,336 (320)

Assembly of Functionalized Organic Fragments via Reductive Activation and (Cross)‐Coupling of C2H4, CO, CO2 and/or H2 Using a Magnesium‐Dinitrogen Complex

Angewandte Chemie, EarlyView.
A dimagnesium/dipotassium complex of N2 acts as a “masked” source of a dimagnesium(I) diradical in formal reductive coupling and cross‐coupling reactions involving various combinations of the simple gaseous small molecules, C2H4, CO, CO2, and H2. A range of more complex “value‐added” organic fragments have been accessed from these processes.
Dat T. Nguyen, Rahul Mondal, Matthew J. Evans, Joseph M. Parr, Cameron Jones   +4 more
wiley   +2 more sources

Automatic Parameterization of Force Fields for Liquids by Simplex Optimization [PDF]

J Comp Chem 20(10), 1009-1017 (1999), 1999
We demonstrate an automatic method of force field development for molecular simulations. Parameter tuning is taken as an optimization problem in many dimensions. The parameters are automatically adapted to reproduce known experimental data such as the density and the heat of vaporization.
arxiv  

Roadmap to Nanomedical Applications: Nanotoxicology and In Vitro Guidelines for Lanthanide‐Doped Luminescence Nanothermometers

Advanced NanoBiomed Research, EarlyView.
Lanthanide‐based luminescence nanothermometry holds multifaceted potential for nanomedical applications, yet despite significant research advances, clinical translation of the engineered nanomaterials is still controversial and widely disputed. This is related to crucial nanotoxicological aspects that must be addressed at the preclinical level ...
Simona Premcheska, Andre G. Skirtach, Anna M. Kaczmarek   +2 more
wiley   +1 more source

Ru complexes containing N‐methyl‐1,3,5‐triaza‐7‐phosphaadamantane (mPTA) as catalysts for the isomerization of 2‐cyclohexen‐1‐ol

Applied Organometallic Chemistry, Volume 37, Issue 2, February 2023., 2023
The paper discusses the catalytic activity of [RuCp(H2O‐κO)(mPTA)2](CF3SO3)3 for the isomerization of the cyclic allylic alcohol 2‐cyclohexen‐1‐ol with good conversion and negligible metal losses. The complex [RuCp(H2O‐κO)(mPTA)2](CF3SO3)3·MeOH (4·MeOH) was synthesized and characterized by spectroscopic techniques and its crystal structure determined ...
Belén López‐Sánchez, Ana Belén Bohome‐Espinosa, Franco Scalambra, Antonio Romerosa   +3 more
wiley   +1 more source

Cyclohexane, a potential drug of abuse with pernicious effects for the brain

Frontiers in Pharmacology, 2016
Cyclohexane is a volatile solvent used as a harmless substitute for dangerous organic solvents in several products, such as paint thinners, gasoline and adhesives.
Oscar eGonzalez-Perez, Tania eCampos-Ordonez   +1 more
doaj   +1 more source

Advances and Challenges in Low‐Temperature Upcycling of Waste Polyolefins via Tandem Catalysis

Angewandte Chemie, EarlyView.
This review presents an overview of recent advances in mild catalytic transformations of polyolefins, emphasizing the kinetic and thermodynamic interplay between endothermic C─C bond cleavages and the exothermic formation of new C─H, C─C, and C─O bonds.
Wei Zhang, Sungmin Kim, Michele L. Sarazen, Mingyuan He, Jingguang G. Chen, Johannes A. Lercher   +5 more
wiley   +2 more sources

Nachhaltige Ansätze für die Synthese von Calciumsulfat‐Hemihydrat

Angewandte Chemie, EarlyView.
Calciumsulfat‐Hemihydrat (Bassanit) spielt im Bauwesen als hydraulisches Bindemittel eine wichtige Rolle. Aufgrund seiner Instabilität in Wasser beruht die industrielle Produktion hauptsächlich auf der thermischen Dehydratisierung von Gips. Dieser Review untersucht alternative und potenziell nachhaltigere Methoden zur Synthese von Bassanit, darunter ...
Selina Reigl, Alexander E. S. Van Driessche, Tomasz M. Stawski, Sebastian Koltzenburg, Werner Kunz, Matthias Kellermeier   +5 more
wiley   +1 more source

Synthesis and characterization of tetrafluorophenyl phosphonic acid functionalized polyacrylates as potential proton conducting materials in fuel cells

Journal of Applied Polymer Science, Volume 140, Issue 3, January 15, 2023., 2023
Fluorinated phosphonic acids are high‐performance materials for proton conduction applications. The bonding of phosphonic acids to a polymer backbone for application as electrolytes in polymer electrolyte membrane fuel cells is of broad interest. Here, we present acrylate‐based tetrafluorophenylene phosphonic acid polymers with high proton conductivity
Christian Alter, Robin F. Weitkamp, Berthold Hoge   +2 more
wiley   +1 more source

Enantioselective Photochemical Generation of a Short‐Lived, Twisted Cycloheptenone Isomer: Catalytic Formation, Detection, and Consecutive Chemistry

Angewandte Chemie, EarlyView.
In a proof‐of‐concept study, it was for the first time shown that planar chiral trans‐cycloalk‐2‐enones, such as 2, can be formed enantioselectively from their cis‐isomers by triplet energy transfer from a chiral catalyst. Computational studies performed with cyclohept‐2‐enone and enone 1 provided invaluable insights into the mode of action of the ...
Max Stierle, Constantin Jaschke, Daniel J. Grenda, Martin T. Peschel, Thomas Pickl, Niklas Gessner, Patrick Nuernberger, Benjamin P. Fingerhut, Christian Ochsenfeld, Regina de Vivie‐Riedle, Thorsten Bach   +10 more
wiley   +2 more sources

Understanding the Role of Open Metal Sites in MOFs for the Efficient Separation of Benzene/Cyclohexane Mixtures [PDF]

arXiv
Separating C6 cyclic hydrocarbons, specifically benzene and cyclohexane, presents a significant industrial challenge due to their similar physicochemical properties. We conducted Monte Carlo simulations in the Grand-Canonical ensemble to acquire adsorption properties and separation performance data for benzene and cyclohexane in three metal-organic ...
arxiv