Results 191 to 200 of about 78,543 (258)

Multiscale and Multi‐Timestep Switching of Multiple Machine Learning Force Fields for Artificial Intelligence‐Driven Materials Simulations

Advanced Intelligent Discovery, EarlyView.
Deep Potential model switching accelerates molecular dynamics by using a faster 4 Å model for most timesteps and periodically applying a high‐accuracy 6 Å model. Validation on solid TiO2 and liquid PEG shows preserved RDF correlations and stable NPT behavior, while NVE energy‐drift analyses identify cases requiring additional validation.
Ryuya Kanda, Megumu Yamazaki, Yuta Yoshimoto, Shintaro Izumi, Atsuki Inoue, Hiroshi Kawaguchi, Yasufumi Sakai   +6 more
wiley   +1 more source

A Wagner–Meerwein‐Like Rearrangement Generates a Vinyl Group in the Biosynthesis of the Polychlorinated Lipopeptides Fischerazoles

Angewandte Chemie, EarlyView.
The fischerazoles, unusual cyanobacterial chlorinated lipopeptides are reported. During their biosynthesis, a linear fatty acyl‐acyl carrier protein (ACP) precursor is rearranged through the action of the S‐adenosyl‐methionine (SAM)‐dependent methyltransferase FshF, to generate a pendant vinyl group.
Sandra A. C. Figueiredo, Kathleen Abt, Konrad Viehrig, Peter J. Jervis, Teresa P. Martins, Iñaki Lacomba, Chuhan Li, Daniele Castagnolo, Pedro N. Leão   +8 more
wiley   +2 more sources

Applying Abstract Text Mining as a Complement to PRISMA in Reviewing the Scope of Healthcare's Circular Economy Comment on "A Review of the Applicability of Current Green Practices in Healthcare Facilities". [PDF]

Int J Health Policy Manag
Esmaeili A.
europepmc   +1 more source

Human‐in‐the‐Loop Swarms: A Bionic Swarm Approach to Real‐World Soil Mapping

Advanced Intelligent Systems, EarlyView.
This article introduces the “Bionic Swarm,” a novel system that lowers the barriers to real‐world swarm validation by abstracting difficult hardware tasks to app‐guided human agents. We demonstrate the system's utility through the experimental validation of a geotechnical soil‐mapping swarm algorithm and show superior performance to baseline approaches
Petras Swissler, Mohammadali Rashidioun, Nicholas Sahu, Raaid Kabir, Ayodeji Aderibigbe, Oladoyin Kolawole   +5 more
wiley   +1 more source

Amidase‐Catalyzed Desorption of CO2 Captured in Aqueous Monoethanolamine (MEA) Solutions

Angewandte Chemie, EarlyView.
CO2 is captured in aqueous monoethanolamine (MEA) sorbents as carbamate and bicarbonate/carbonate. The subsequent desorption for storage or utilization is energy‐intensive, and this is a major impediment to industrial carbon dioxide removal (CDR) processes. The desorption process can be promoted by enzymes that catalyze the dissociation of distinct CO2‐
Yang Yang, Onur Kırtel, Silke Flindt Badino, Lea Helena Strother, Laura Rotilio, Jerik Mathew Valera Lauridsen, Stefanie Neun, Jens Preben Morth, Ji‐Woong Lee, Ditte Hededam Welner, Peter Westh   +10 more
wiley   +2 more sources

Machine Learning in Adolescent Mental Health: Advanced Comorbidity Analysis and Text Mining Insights. [PDF]

Healthcare (Basel)
Patsiala D, Bolias K, Passia F, Feretzakis G, Anastasiou A, Koumpouros Y.   +5 more
europepmc   +1 more source

AI‐Assisted IoT‐Enabled ECG Monitoring: Integrating Foundational and Generative AI Tools for Sustainable Smart Healthcare—Recent Trends

AI &Innovation, EarlyView.
ABSTRACT The rapid evolution of the Internet of Things (IoT) has significantly advanced the field of electrocardiogram (ECG) monitoring, enabling real‐time, remote, and patient‐centric cardiac care. This paper presents a comprehensive survey of AI assisted IoT‐based ECG monitoring systems, focusing on the integration of emerging technologies such as ...
Amrita Choudhury, Kandarpa Kumar Sarma, Lachit Dutta   +2 more
wiley   +1 more source

Text Mining of Symptom Descriptions in the Vaccine Adverse Event Reporting System for Human Papillomavirus Vaccination. [PDF]

Cureus
Shiota K, Horibe M, Ino Y, Iwata M, Tanaka H, Kitamura M, Iguchi K, Nakamura M.   +7 more
europepmc   +1 more source

Medication patterns and therapeutic strategies in Traditional Chinese Medicine for coronary heart disease: A text mining analysis of clinical literature. [PDF]

Medicine (Baltimore)
Qu S, Pan L, Liang H, Zhu L, Chen Y, Cai S, Zhao X, Zhao H.   +7 more
europepmc   +1 more source

AI big model and text mining-driven framework for urban greening policy analysis. [PDF]

Sci Rep
Li L, Yang X, Liu S, Deng F.
europepmc   +1 more source