Results 141 to 150 of about 6,141,379 (239)

Machine learning–driven design of catalytic processes for sulfur dioxide oxidation: Lessons from the trenches

AIChE Journal, EarlyView.
Abstract Despite the growing use of ML in chemical engineering, the catalytic conversion of sulfur dioxide (SO2) to sulfur trioxide (SO3) remains underexplored from a data‐driven modeling perspective. This study evaluates an integrated workflow for literature‐derived SO2 oxidation data, combining data curation, preprocessing assessment, machine ...
Farough Agin, Jules Thibault, Clémence Fauteux‐Lefebvre   +2 more
wiley   +1 more source

Structure and Function of a Multi‐Megadalton Virus‐Like Proteolytic Dodecahedron

Angewandte Chemie, EarlyView.
Zuzalysin, a virulence metallopeptidase of the periodontal pathogen Porphyromonas gingivalis, is secreted as a latent, flexible ≈95‐kDa monomer. Calcium triggers cysteine‐switch activation and hierarchical assembly into pentamers, bipentamers, tripentamers, and a ≈5.6‐MDa, ≈355‐Å dodecahedron. Structures at 1.8–3.6 Å reveal a virus‐sized catalytic cage
Mariusz Madej, Arturo Rodríguez‐Banqueri, Danuta Mizgalska, Borys Szmigielski, Zuzanna Nowakowska, Małgorzata Benedyk‐Machaczka, Monika Bzowska, Katarzyna Mikruta, Juan Sebastián Ramírez‐Larrota, Chinanu Agunanne, Olivier Julien, Anthony J. O'Donoghue, Carsten Scavenius, Mario López‐Martín, Enrique Marcos, Łukasz Koziej, Sebastian Glatt, Pablo Guerra, Ulrich Eckhard, Jan Potempa, F. Xavier Gomis‐Rüth   +20 more
wiley   +2 more sources

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

Advanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Air Emissions of Ammonia and Methane from Livestock Operations: Valuation and Policy Options [PDF]

The animal husbandry industry is a major emitter of methane, which is an important greenhouse gas. The industry is also a major emitter of ammonia, which is a precursor of fine particulate matter—arguably, the number-one environment-related public health
Palmer, Karen, Siikamäki, Juha, Burtraw, Dallas, Shih, Jhih-Shyang   +3 more
core  

Site‐Specific Molecular Engineering Redirects Radical Pathways for Selective Photocatalytic Coupling of Methane to C2+ Hydrocarbons

Angewandte Chemie, EarlyView.
Site‐specific self‐assembly of alkyl thiols on Au/TiO2 enables precise modulation of interfacial electron distribution and the local microenvironment through covalent Au‐thiolate interactions. This site‐specific molecular engineering synergistically promotes surface kinetics and charge separation, suppressing ·O2−‐driven overoxidation and thereby ...
Yaru Shao, Wanying Guo, Wei Li, Gaoyu Cui, Huijie Cheng, Lingfeng Zhu, Liqun Ye, Zihan Qiu, Yu Shan, Rui Li, Tianyi Ma, Jungang Hou   +11 more
wiley   +2 more sources

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

1,2‐Bis(boronate) Arenes by Borylation Directed Borylation

Angewandte Chemie, EarlyView.
Boron electrophiles derived from tetrabromo‐pyrazaboles and AlCl3 affect the regioselective vicinal double C–H borylation of a range of arenes and polycyclic aromatic hydrocarbons (PAHs). A subsequent pinacol installation step then affords the vicinal bis‐boronate ester‐substituted arene/PAH.
Anna V. Schellbach, Mathew J. Cross, Emily Noone, Cate S. Anstöter, Michael J. Ingleson   +4 more
wiley   +2 more sources

Activation of Metal Complexes With Ultrasound Waves for Targeted Anticancer Therapy

Angewandte Chemie International Edition, EarlyView.
Ultrasound enables non‐invasive activation of metal‐based therapeutics deep within tumors. Acoustic cavitation can drive sonodynamic reactive oxygen species generation or mechanochemical metal–ligand bond dissociation, enabling controlled release of bioactive payloads.
Félix Grosjean, Nicolás Montesdeoca, Gilles Berger, Johannes Karges   +3 more
wiley   +1 more source

Advancements in CO2 Capture Technologies: A Review of Amine Absorption and Alternative Methods for Post‐Combustion Integration

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT Carbon capture technologies are poised to become one of the primary focuses regarding the achievement of net‐zero emissions by the year 2050. In these technologies, particular attention is given to post‐combustion CO2 capture, which is more easily implemented at existing power stations and other industries.
Satyajit Mukherjee, Ashish Kumar, Mayurkumar P. Patil, Rohit B. Meshram   +3 more
wiley   +1 more source

Evaluation of Greenhouse Gas Emissions and Sludge Characteristics in Typical AAO Process WWTPs in Taihu Lake Basin, China

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT This study investigated sludge characteristics and greenhouse gas (GHG) emission from 16 anaerobic‐anoxic‐oxic (AAO) process wastewater treatment plants (WWTPs), 11 municipal and 5 industrial WWTPs, located in the Taihu Lake Basin, China. Influent/effluent water quality, sludge properties, operational parameters, GHG emission patterns, and ...
He Li, Zhirun Liu, Rajendra Prasad Singh
wiley   +1 more source