Results 111 to 120 of about 79,213 (337)

Orbital Optimization in the Active Space Decomposition Model

, 2015
We report the derivation and implementation of orbital optimization algorithms for the active space decomposition (ASD) model, which are extensions of complete active space self-consistent field (CASSCF) and its occupation-restricted variants in the ...
Kim, Inkoo, Parker, Shane M., Shiozaki, Toru   +2 more
core   +2 more sources

In vivo imaging of pyrrole-imidazole polyamides with positron emission tomography [PDF]

, 2008
The biodistribution profiles in mice of two pyrrole-imidazole polyamides were determined by PET. Pyrrole-imidazole polyamides are a class of small molecules that can be programmed to bind a broad repertoire of DNA sequences, disrupt transcription factor ...
Bergstr  m, Burns, Chou, D. A. Harki, D. B. Stout, Dervan, Dervan, Dudouet, Edelson, Gross, Harapanhalli, Hsu, K  hnast, Lee, Lendvai, M. E. Phelps, N. Satyamurthy, P. B. Dervan, Phelps, Phelps, Poethko, Puckett, Roivainen, Schottelius, Tavitian, Toyokuni, Trauger   +26 more
core   +3 more sources

Harnessing Vinylogy with Radicals: Photoinduced γ‐Benzylation Reactions of 2‐Silyloxyfurans

Advanced Synthesis &Catalysis, EarlyView.
Two radical‐mediated benzylations of 2‐silyloxyfurans, promoted by visible light and suitable photoredox catalysts have been disclosed. A broad scope of γ‐benzyl butenolides was obtained in one step, some of which were used as strategic precursors to bio‐valuable chiral butanolides.
Enrico Marcantonio, Debora Guazzetti, Luca Aimi, Kelly Bugatti, Pedro Mena, Marco Giannetto, Simone Fortunati, Andrea Sartori, Lucia Battistini, Leonardo Andreoni, Marco Lombardo, Franca Zanardi, Claudio Curti   +12 more
wiley   +1 more source

Solvent‐Free Mechanocatalytic Reduction of Nitro Compounds with Hydrogen Gas and its Application in the Synthesis of Drugs and their Intermediates

Advanced Synthesis &Catalysis, EarlyView.
A solvent‐free mechanochemical reduction of nitro compounds using hydrogen gas is presented. In addition to enabling the synthesis of a variety of functionalized aniline derivatives, the method has been scaled up to gram quantities, evaluated for trace metal impurities, and applied to the synthesis of pharmaceutical compounds and their precursors.
Samarth Bhatnagar, Michael Felderhoff, Jan‐Hendrik Schöbel   +2 more
wiley   +1 more source

Evaluation of a commercially available rapid urinary porphobilinogen test [PDF]

, 2011
Background: Demonstration of substantially increased urinary excretion of porphobilinogen is the cornerstone of diagnosing acute porphyria crisis. Because porphobilinogen testing is not implemented on clinical chemistry analysers, respective analyses are
Buttery JE, Deacon AC, Mauzerall D, Pierach CA, Schreiber WE   +4 more
core   +1 more source

Redrawing the Mannich‐Type Reaction through Carbonyl Umpolung Reactivity

Advanced Synthesis &Catalysis, EarlyView.
GA: Herein, a conceptually novel one‐pot multicomponent strategy is reported for the streamlined construction of five‐membered imidazolidines from 1,2‐diaza‐1,3‐dienes (onefold), amines (twofold), and formaldehyde (twofold). This redesigned Mannich‐type reaction that exploits a carbene‐like activity of 1,2‐diaza‐1,3‐dienes (realized by “umpolung ...
Vittorio Ciccone, Sara Caselli, Giacomo Mari, Fabio Mantellini, Gianfranco Favi   +4 more
wiley   +1 more source

I. Benzaldehyd und Glutarsäure [PDF]

Justus Liebigs Annalen der Chemie, 1894
n ...
openaire   +3 more sources

Polyoxometalate (POM)-layered double hydroxides (LDH) composite materials: design and catalytic applications [PDF]

, 2017
Layered double hydroxides (LDHs) are an important large class of two-dimensional (2D) anionic lamellar materials that possess flexible modular structure, facile exchangeability of inter-lamellar guest anions and uniform distribution of metal cations in ...
Li, Tengfei, MIras, Haralampos N., Song, Yu-Fei   +2 more
core   +1 more source

Integrating Visible‐Light Photocatalysis and Enzymes for the Stereoselective Synthesis of Alcohols and Amines

Advanced Synthesis &Catalysis, EarlyView.
The integration between visible‐light photocatalysis and biocatalysis has the potential to greatly improve modern organic synthesis by combining the production of valuable synthetic intermediates under mild photochemical conditions with the high degree of stereoselectivity reached by enzymes. The review collects the recent efforts in the photoenzymatic
Stefano Parisotto, Cristina Prandi
wiley   +1 more source

Total Synthesis of Feglymycin Using Umpolung Amide Synthesis

Angewandte Chemie, EarlyView.
A total synthesis of the antiviral feglymycin is described, leveraging enantioselective umpolung amide synthesis (UmAS). The strategic use of UmAS to prepare the aryl glycine‐rich tridecapeptide reduced hazardous amide coupling agents by 50%, and replaced asymmetric synthesis reliant on toxic transition metals by organocatalysis.
Preston C. Gourville, Jade A. Bing, Rashanique D. Quarels, Sergey V. Tsukanov, Kenneth E. Schwieter, Kazuyuki Tokumaru, Amanda B. Stephens, Dawn M. Makley, Bo Shen, Abigail N. Smith, Jeffrey N. Johnston   +10 more
wiley   +2 more sources