Results 81 to 90 of about 122,825 (286)

Solid–liquid equilibria in the LiOH–ethanol–water system: Solubility measurements and thermodynamic modeling

AIChE Journal, EarlyView.
Abstract The demand for LiOH is driven by the growth of the electric vehicle industry. Evaporative crystallization of LiOH·H2O is energy intensive, whereas ethanol‐based antisolvent crystallization has emerged as a more sustainable alternative. From a process design perspective, the crystallization yield depends on the ethanol dosage, and thermodynamic
Xiaoqi Xu, Chentao He, Janet A. W. Elliott, Liuyin Xia   +3 more
wiley   +1 more source

Structure And Dynamics Of Modulated Traveling Waves In Cellular Flames

, 1994
We describe spatial and temporal patterns in cylindrical premixed flames in the cellular regime, $Le < 1$, where the Lewis number $Le$ is the ratio of thermal to mass diffusivity of a deficient component of the combustible mixture.
A. Bayliss, Armbruster, Aronson, B.J. Matkowsky, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bayliss, Bender, Berge, Brown, Canuto, Caroli, Coughlin, Coullet, Dangelmayr, el-Hamdi, el-Hamdi, Flesselles, Garbey, Gorman, Gottlieb, H. Riecke, Kevorkian, Lofting, Margolis, Matkowsky, Matkowsky, Matkowsky, Matkowsky, Olagunju, Olagunju, Olagunju, Proctor, Rabaud, Rand, Rappel, Riecke, Sivashinsky, Wiener   +48 more
core   +2 more sources

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Discovery and Biosynthesis of the Novel Glycotetrapeptide Antibiotic Biffamycin A

Angewandte Chemie, EarlyView.
Genetic de‐regulation of a silent biosynthetic pathway allowed isolation and characterisation of a novel glycopeptide antibiotic named biffamycin A, which harbours unprecedented 5‐chloro‐4‐methoxy tryptophan and 3R‐hydroxy(α‐D‐mannoysl)‐D‐lysine moieties and is bioactive against MRSA and VRSA.
Michael W. Brigham, Edward S. Hems, Daniel C. L. Van, Justin E. Clarke, Sergey Nepogodiev, Julius S. P. Adamson, Christian Bassi, Michael E. Webb, Glyn R. Hemsworth, Orde Q. Munro, Barrie Wilkinson, Ryan F. Seipke   +11 more
wiley   +2 more sources

Accelerating Biosensor Discovery: A Computationally‐Driven Pipeline for Microplastics Monitoring

Advanced Intelligent Discovery, EarlyView.
A computationally guided pipeline unites molecular simulation, synthetic biology, electrochemical engineering, and machine learning to accelerate biosensor discovery. A Bacillus anthracis carbohydrate‐binding module is used to develop a high‐performance micro‐ and nanoplastics sensor with greatly reduced error and variability.
Gabriel X. Pereira, Marcos de C. Leite, Pedro H. M. Zanineli, Juliana N. Y. Costa, Débora M. Cunha, Sophia P. Serra, Pedro H. Sophia, Flávio M. Shimizu, Yasmin W. Moura, Célio C. Oliveira, Gabriel R. Schleder, Gabriela F. Persinoti, Leandro Merces, Renato S. Lima   +13 more
wiley   +1 more source

Boron‐Doping of a Macrocyclic Tetrafuran Framework Unveils an Expanded Porphyrinoid With Switchable (Anti)Aromaticity and Conformational Dynamics

Angewandte Chemie, EarlyView.
We disclose a novel boron macrocycle derived from the sustainable furan building block. The boraporphyrinoid exhibits a global antiaromatic ring current and dynamic conformational flexibility. Twofold reduction induces a switch to strong global aromaticity, accompanied by stiffening of the porphyrinoid backbone.
Lukas Swoboda, Jonas Klopf, Jonas Bachmann, Ivo Krummenacher, Holger Braunschweig, Bernd Engels, Holger Helten   +6 more
wiley   +2 more sources

Multi-Agent Deployment for Visibility Coverage in Polygonal Environments with Holes [PDF]

, 2010
This article presents a distributed algorithm for a group of robotic agents with omnidirectional vision to deploy into nonconvex polygonal environments with holes. Agents begin deployment from a common point, possess no prior knowledge of the environment,
Bullo, Francesco, Ganguli, Anurag, Obermeyer, Karl J.   +2 more
core  

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

Multi‐Objective Catalyst Discovery in High‐Entropy Alloy Composition Space: The Role of Noble Metals on the Pareto Front for Oxygen Reduction Reaction

Angewandte Chemie, EarlyView.
Pareto optimal compositions of alloy catalyst for oxygen reduction reaction are uncovered through multi‐objective Bayesian optimization of activity, stability, and material cost in an eight‐element high‐entropy alloy composition space. The substantial Pareto front obtained is compared to experimental literature and analyzed to elucidate the roles and ...
Mads K. Plenge, Ahmad Tirmidzi, Christian M. Clausen, Matthias Arenz, Jan Rossmeisl   +4 more
wiley   +2 more sources

Local Decoders for the 2D and 4D Toric Code

, 2016
We analyze the performance of decoders for the 2D and 4D toric code which are local by construction. The 2D decoder is a cellular automaton decoder formulated by Harrington which explicitly has a finite speed of communication and computation. For a model
Breuckmann, Nikolas P., Duivenvoorden, Kasper, Michels, Dominik, Terhal, Barbara M.   +3 more
core