22 papers · ranked by Valyu relevance
Hongzhou Lin, Julien Mairal, Zaïd Harchaoui
We introduce a generic scheme for accelerating gradient-based optimization methods in the sense of Nesterov. The approach, called Catalyst, builds upon the inexact accelerated proximal point algorithm for minimizing a convex objective function, and consists of approximately solving a sequence of well-chosen auxiliary…
Authors not listed
A framework for catalysis based on categorical aperture selection rather than temporal acceleration is presented. Traditional catalysis theory describes catalysts as agents that accelerate reactions by lowering activation energies, implicitly treating time as the fundamental variable and reaction rate enhancement as…
Yibin Sun, Yue Fang, Yajie Liu, Fengyi Jiang + 3 more
to Accelerate a Protein–Peptide Assembly-Reaction Cascade Authors: ['Yibin Sun' 'Yue Fang' 'Yajie Liu' 'Fengyi Jiang' 'Zhichao Lei' 'Hanyu Gao' 'Wen-Bin Zhang'] A biological system is rich in dynamic biomolecular assembly reaction cascades mediated by enzymes and molecular chaperones, as represented by the formation of…
S. Sara Mahdavi, Yann Sakref, Olivier Rivoire
Catalysts speed up chemical reactions with no energy input and without being transformed in the process, therefore leaving equilibrium constants unchanged. Some catalysts, however, are much more efficient at accelerating one direction of a reaction. How is such an asymmetry consistent with chemical equilibrium, where…
Yann Sakref, Maitane Muñoz-Basagoiti, Zorana Zeravcic, Olivier Rivoire
'Olivier Rivoire'] Catalysis, the acceleration of product formation by a substance that is left unchanged, typically results from multiple elementary processes, including diffusion of the reactants towards the catalyst, chemical steps, and release of the products. While efforts to design catalysts are often focused on…
Shih-Wei Cheng, Feng-Ze Tian, Guan-Bo Wang, Hao Ming Chen
Morphology Meaningful: Tracking Dynamic Catalyst Evolution under Working Conditions Authors: Shih-Wei Cheng, Feng-Ze Tian, Guan-Bo Wang, Hao Ming Chen Morphology control has long been a widely adopted strategy in catalyst design, based on the assumption that geometric and electronic structures are inseparable in…
Malek Y. S. Ibrahim, Milad Abolhasani
Synthesis of hindered amines using the atom-efficient hydroaminomethylation (HAM) route remains a challenge. Here, we report a general and accelerated HAM in segmented flow, achieved via a cooperative effect between rhodium (Rh)/N-Xantphos and a co-catalyst (2-Fluoro-4-methylbenzoic acid) to increase the reactivity by…
Stefan P. Schmid, Leon Schlosser, Frank Glorius, Kjell Jorner
Organocatalysis has established itself as a third pillar of homogeneous catalysis, besides transition metal catalysis and biocatalysis, as its use for enantioselective reactions has gathered significant interest over the last decades. Concurrent to this development, machine learning (ML) has been increasingly applied…
Torkel E. Loman, Yingbo Ma, Vasily Ilin, Shashi Gowda + 4 more
We introduce Catalyst.jl, a flexible and feature-filled Julia library for modeling and high performance simulation of chemical reaction networks (CRNs). Catalyst acts as both a domain-specific language and an intermediate representation for symbolically encoding CRN models as Julia-native objects. This enables a…
Cristina V. Craescu, Colton D. David, Elizabeth D. Heafner, Kenneth N. Raymond + 2 more
Interactions versus Steric Confinement in Asymmetric Supramolecular Catalysis Authors: Cristina V. Craescu, Colton D. David, Elizabeth D. Heafner, Kenneth N. Raymond, Robert G. Bergman, F. Dean Toste The remarkable catalytic performance of enzymes stems from their ability to engage in precise noncovalent interactions…
Kai Huang, Xuebo Quan, Shiyi Qin
The long-distance communication between multiple cis-regulatory elements (CREs), the self-limiting size and lifetime of regulatory condensates, are two puzzling phenomena in biology. To reconcile these puzzles, we introduce the concept of higher-order catalysis into chromatin-mediated reactions. Essentially, multi-way…
Milan Králik, Peter Koóš, Martin Markovič, Pavol Lopatka + 1 more
'Albin Pintar'] This review outlines a comprehensive methodology for the research and development of heterogeneous catalytic technologies (R&D_HeCaTe). Emphasis is placed on the fundamental interactions between reactants, solvents, and heterogeneous catalysts-specifically the roles of catalytic centers and support…
Olivier Rivoire
The role played by conformational changes in enzyme catalysis is controversial. In addition to examining specific enzymes, studying formal models can help identify the conditions under which conformational changes promote catalysis. Here, we present a model demonstrating how conformational changes can break a generic…
Authors not listed
We report the highly enantioselective ring-opening of 3-substituted azetidines by alkyl and acyl halides promoted by a chiral squaramide H-bond donor catalyst. Broad scope is achieved across a variety of substrate combinations possessing disparate steric features. The same catalyst had been identified previously to…
Massimo Delle Piane, Luca Pesce, Matteo Cioni, G. M. Pavan
Spatial confinement is widely employed by Nature to attain unique efficiency in controlling chemical reactions. Notable examples are enzymes, which selectively bind reactants and exquisitely regulate their conversion into products. In the attempt to mimic natural catalytic systems, supramolecular metal-organic cages…
Florian Hinzpeter, Filipe Tostevin, Alexander Buchner, Ulrich Gerland
Spatial organization of catalytic particles is ubiquitous in biological systems across different length scales, from enzyme complexes to metabolically coupled cells. Despite the different scales, these systems share common features of localized reactions with partially hindered diffusive transport, determined by the…
Haoran Pang, Edward A. Lilla, Pan Zhang, Du Zhang + 4 more
Radical S-adenosyl-L-methionine (SAM) enzymes catalyze various free radical-mediated reactions. In these enzymes, the rate-determining SAM cleavage kinetically masks all the subsequent steps. Due to this kinetic masking, detailed mechanistic characterization of radical transformations catalyzed by these enzymes is very…
Lyudmila M. Bronstein, Valentina G. Matveeva, Ioannis Yentekakis, Dimitrios Gournis + 2 more
'Dimitrios Gournis' 'Paraskevi Panagiotopoulou' 'Haralambos Stamatis'] Multifunctional catalysts have received considerable attention in the cascade reactions of biomass processing. A cascade (or tandem) reaction is realized when multiple reaction steps that require different catalysts are performed in a one-step…
Kamen Kozarev, R. M. Evans, N. A. Schwadron, M. A. Dayeh + 3 more
'K. E. Korreck' 'B. van der Holst'] The acceleration of protons and electrons to high (sometimes GeV/nucleon) energies by solar phenomena is a key component of space weather. These solar energetic particle (SEP) events can damage spacecraft and communications, as well present radiation hazards to humans. In depth…
Ashwani Kr. Tripathi, Tamoghna Das, Govind Paneru, Hyuk Kyu Pak + 1 more
The cellular milieu is teeming with biochemical nano-machines whose activity is a strong source of correlated non-thermal fluctuations termed “active noise”. Essential elements of this circuitry are enzymes, catalysts that speed up the rate of metabolic reactions by orders of magnitude, thereby making life possible.…
Authors not listed
A 3-D printed cartridge was fabricated using acrylonitrile-butadiene-styrene (ABS) printer filament. The cartridge was printed with an internal helical honeycomb channel pattern - providing a high surface area suitable for flow chemistry. The internal chamber of the cartridge was treated with fuming sulfuric acid to…
Shanshan Lin, Jianguo liu, Longlong Ma
The catalytic hydrogenation of organic substrates containing many unsaturated functional groups is an important step in the industrial preparation of fine chemicals and has always been a hot spot in basic catalysis research. For example, the phenethyl alcohol obtained by the preferential hydrogenation of the C=O group…