Results 231 to 240 of about 35,918 (305)

Machine learning for RNA secondary structure prediction: a review of current methods and challenges. [PDF]

RNA
Sacco G, Bussi G, Sanguinetti G.
europepmc   +1 more source

Electrolyte Additive Strategies in Aqueous Zn‐Ion Batteries: Recent Advances and Prospects

Advanced Science, EarlyView.
This article provides a comprehensive overview of the current status and future development directions of AZIBs electrolyte additives in three aspects: stabilizing zinc anodes (uniform deposition, inhibition of dendritic crystals), protecting cathodes (structural stability, inhibition of dissolution), and enhancing electrolyte stability (wider ...
Yuanze Yu, Hongmin Liu, Long Fan, Huakun Liu, Shixue Dou, Guoxiu Wang, Nana Wang, Zhongchao Bai   +7 more
wiley   +1 more source

Computer session on thermodynamics

EPJ Web of Conferences, 2011
openaire   +2 more sources

Cobalt/Photoredox Catalyzed Desymmetrization of Oxo and Azabicycles via Asymmetric Reductive Coupling With Alkynes

Advanced Science, EarlyView.
A one‐step, asymmetric reductive coupling of alkynes and oxa‐ and aza‐bicyclic olefins using a cobalt/photoredox catalytic system through desymmetrization. ABSTRACT Bicyclo[2.2.1]heptane frameworks represent a privileged structural motif prevalent in numerous natural products and bioactive molecules.
Subhankar Pradhan, Arko Saha, Bholanath Maity, Sayan Dutta, Luigi Cavallo, Basker Sundararaju   +5 more
wiley   +1 more source

In-silico prediction of multi‑target mechanisms of Pinellia ternata phytochemicals in lung cancer: Evidence from a graph‑attention‑guided virtual screening and multi‑scale simulations. [PDF]

PLoS One
Bian G, Zhang Y, Shen Y, Xiao P, Zhang D, Xie J, Li X, Chen D, Hu K, Hu C.   +9 more
europepmc   +1 more source

Hydrogen (H2) Recovery From Hydrogen Sulfide (H2S): Current Technologies, Challenges, and Future Outlook

Advanced Science, EarlyView.
ABSTRACT Hydrogen sulfide (H2S) can be transformed into hydrogen (H2) through several chemical and catalytic processes, offering a promising route for both waste treatment and clean H2 production. This colorless, flammable, and toxic gas is found abundantly in swamps, volcanoes, hot springs, sewages, other natural gas fields, and even in refineries and
Divyesh Cirikonda, Astrid Campos‐Mata, Sehmus Ozden, Shreyasi Chattopadhyay, Pulickel M. Ajayan   +4 more
wiley   +1 more source

Navigating polymorph generation and distilled-potential development via entropy-symmetry landscapes for metal plasticity mechanisms. [PDF]

Nat Commun
Li Z, Liu T, Wan X, Zhao S, Zhang Z, Zhou E, Yu W, Zuo Y, Robertson J, Liu S, Guo Y.   +10 more
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Development and evaluation of an effective solubility prediction model for pharmaceuticals in organic solvents using machine learning based on eXtreme Gradient Boosting. [PDF]

Sci Rep
Valavi M, Assareh M, Khoshsima A, Svärd M.   +3 more
europepmc   +1 more source

Synergistic Spin‐Polarization and Single‐Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting

Advanced Science, EarlyView.
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren, Zhenzhou Guo, Huirong Wu, Peilin Huang, Jie Yang, Jie Zhang, Guangqian Ding, Hongkuan Yuan, Biao Wang   +8 more
wiley   +1 more source