Results 241 to 250 of about 12,241,994 (329)

Circumventing the Synthesizability Problem in Generative Molecular Design. [PDF]

J Chem Inf Model
Weller JA, Li J, Jiang Y, Rohs R.
europepmc   +1 more source

Leveraging Data‐Driven and Fundamental Insights for Electrolyte Innovation in Lithium Metal Batteries

Advanced Materials, EarlyView.
Using 640 curated electrolyte formulations, we apply data‐driven analysis to reveal how molecular features govern coulombic efficiency (CE) in lithium metal batteries. Fluorine content correlates positively with CE, while oxygen, carbon, and higher boiling points correlate negatively.
Minh Van Duong, Mitchell Kaiser, Xia Cao, Trung Thien Nguyen, Au Nguyen, Phung My Loan Le, Jun Liu   +6 more
wiley   +1 more source

CoMR: an integrative scoring pipeline for comprehensive mitochondrial proteome reconstruction across eukaryotes. [PDF]

Brief Bioinform
Boisard J, Williams SK, Roger AJ, Stairs CW.   +3 more
europepmc   +1 more source

Side‐Chain‐Induced Interlayer Slipping in Metalloporphyrin COFs Enables Microenvironment and Spin‐State Regulation for Photocatalytic CO2 Reduction

Advanced Materials, EarlyView.
Alkoxy chain length drives a continuous transition from eclipsed AA to a serrated, slipped AA* configuration over Co‐porphyrin COFs. A moderate slip both contracts the pore channel to enrich CO2 and suppress hydrogen evolution, and enhances collective high‐spin of Co sites, which delivers a record CO production rate with high selectivity.
Jie He, Qingxuan Chen, Minxian Zhang, Wenhao Zhao, Aoni Xu, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +8 more
wiley   +1 more source

Polar Wurtzite NbAlN: A Transition‐Metal Nitride Alloy for Polarization‐Engineered GaN Heterostructures

Advanced Materials, EarlyView.
A novel polar wurtzite alloy, NbAlN, is demonstrated as a transition‐metal‐containing polar barrier for GaN heterostructures. Nb atoms form coherent nanoscale enrichment within the wurtzite lattice without disrupting metal polarity. This study demonstrates that transition metals can be integrated into polar nitrides to enable polarization‐related ...
Atsushi Kobayashi, Souta Kurogi, Tomoya Okuda, Riku Kikuchi, Yusuke Wakamoto, Kouei Kubota, Hikaru Sasaki, Kazuhisa Ikeda, Kanako Shojiki, Takahiro Kawamura, Toru Akiyama, Takehito Seki, Takuya Maeda   +12 more
wiley   +1 more source

Stochastic Grey Wolf Optimization for Hyperparameter Tuning of LSTM and RNN Models in Energy Forecasting. [PDF]

Sci Rep
Albser OA, Mouhamed MR, Shatta SA, Sweilem NH, Darwish A.   +4 more
europepmc   +1 more source

Advanced Materials for Biologics Delivery to Brain Tumors

Advanced Materials, EarlyView.
Material innovation is central to unlocking the therapeutic potential of biologics against many central nervous system diseases, including brain cancer. By engineering carriers with controlled transport, targeting, and release properties, advanced materials can overcome the blood–brain barrier and tumor microenvironment, improving the delivery of ...
Yuran Feng, Yuxue Cao, Maria Kavallaris, Taskeen Janjua, Amirali Popat   +4 more
wiley   +1 more source

Application of Population-Based Meta-Heuristic Algorithms for Robust Initialization in Mechanistic Pharmacometric Modeling. [PDF]

CPT Pharmacometrics Syst Pharmacol
Lee D, Lin CW.
europepmc   +1 more source

Bioengineered Interfaces for Peripheral Nerve Sensory Restoration

Advanced Materials, EarlyView.
Half of amputees abandon their prosthetics for lack of feeling. This review charts the full path from peripheral nerve injury to restored sensation, through surgical, regenerative, noninvasive, and implanted approaches, and shows how injury type and interface material properties determine which strategy can deliver naturalistic feedback, and why ...
Sydney Swedick, Salim El Hadwe, Kesi Liang, George G. Malliaras, Damiano G. Barone   +4 more
wiley   +1 more source

Searching in Euclidean Spaces with Predictions. [PDF]

Theory Comput Syst
Cabello S, Giannopoulos P.
europepmc   +1 more source