Impact of tectonic and stratigraphic evolution of Shushan Basin on hydrocarbon accumulation, north Western Desert, Egypt. [PDF]
Sci RepFagelnour M, Farouk S, Sarhan MA.
europepmc +1 more source
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
Sequence‐Modulated Active Tripeptide Condensates for Tandem Catalysis
Angewandte Chemie, EarlyView.Sequence‐modulated tripeptide coacervates mimic biomolecular condensates with controllable, enzyme‐regulated phase separation. They co‐sequester hydrophobic active species and hydrophilic enzymes, enabling tandem catalysis in aqueous media. Incorporated into artificial cells, they function as adaptive sub‐organelles, orchestrating compartmentalized ...
Hao Han +7 more
wiley +2 more sources
Interaction mechanisms between liquid organic matter and solid bitumen. [PDF]
Sci RepLin XH, Liang T, Zou YR, Wang Y, Zou Y.
europepmc +1 more source
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 +1 more
wiley +1 more source
Steering the Shape‐shifting of Bullvalene‐PdII Complexes Through Steric and Geometric Strain
Angewandte Chemie, EarlyView.This study explores the use of bis‐pyridyl substituted bullvalenes as dynamic shape‐shifting ligands within cis‐capped PdII complexes. The ring position of the pyridyl nitrogen is critical, leading to a range of Pd2L2 metallacycles and simple PdL complexes, each with distinctive bullvalene isomer preferences (represented in the figure by A‐D isomer ...
André P. Birvé +2 more
wiley +2 more sources
Geological conditions for shale gas accumulation and favorable zone evaluation in the Longmaxi formation of the Yanyuan Basin. [PDF]
Sci RepYong J +5 more
europepmc +1 more source
Data‐Driven Review and Machine Learning Prediction of Diamond Vacancy Center Synthesis
Advanced Intelligent Systems, EarlyView.A machine learning framework is applied to photoluminescence spectra to extract linewidths and uncover how NV, SiV, GeV, and SnV centers evolve with growth and processing conditions. Unified normalization and k‐fold validation reveal cross‐method trends and enable rapid prediction of defect size and fabrication parameters, offering a data‐driven route ...
Zhi Jiang +3 more
wiley +1 more source
Low‐Temperature Reverse Water–Gas Shift Enabled by Magnetically Induced Catalysis
Angewandte Chemie, EarlyView.Magnetically induced catalysis using standard Cu–Al spinel‐derived catalyst functionalized with carbon‐coated iron nanoparticles enables high CO yield (up to 62%) at mild catalyst and reactor temperatures (estimated at 300°C and determined as 25–123°C, respectively).
Junhui Hu +12 more
wiley +2 more sources
Integration of PINN with Conventional Well Logging for Few-Shot TOC Prediction in Ultradeep Source Rocks. [PDF]
ACS OmegaHe T +6 more
europepmc +1 more source