Results 201 to 210 of about 68,348 (275)

Bayesian Optimization Guiding the Experimental Mapping of the Pareto Front of Mechanical and Flame‐Retardant Properties in Polyamide Nanocomposites

open access: yesAdvanced Intelligent Discovery, EarlyView.
Bayesian optimization enabled the design of PA56 system with just 8 wt% additives, achieving limiting oxygen index 30.5%, tensile strength 80.9 MPa, and UL‐94 V‐0 rating. Without prior knowledge, the algorithm uncovered synergistic effects between aluminum diethyl‐phosphinate and nanoclay.
Burcu Ozdemir   +4 more
wiley   +1 more source

Highly Reversible Aqueous Anode‐Free Cadmium–Bromine Batteries

open access: yesAngewandte Chemie, EarlyView.
Cadmium and zinc anodes in aqueous electrolytes are compared, revealing that cadmium deposits smoothly with suppressed parasitic reactions and high metal utilization. Anode‐free cadmium–bromine batteries are then developed, where LiCl additive tunes the Cd2+ solvation structure to accelerate Cd2+ desolvation and plating kinetics.
Xun Zhao   +5 more
wiley   +2 more sources

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

open access: yesAdvanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi   +2 more
wiley   +1 more source

The Far Side of Carboranes: Anticancer Active Monocations and Ambiently Stable Dications

open access: yesAngewandte Chemie, EarlyView.
This work describes the synthesis of bench‐stable dicationic carboranes. Their enhanced electrophilicity is documented by opening the clusters with weak nucleophiles or dihydrogen. The surprising stability of positively charged carboranes in water enabled a study of their in vitro antiproliferative activity, which surpassed the effects of doxorubicin ...
Vlastimil Němec   +10 more
wiley   +2 more sources

Converting 1,1‐Bisborylalkanes into 1,2‐Bisborylalkanes Enabled by Iron Ligand‐to‐Metal Charge Transfer (LMCT) Photocatalysis

open access: yesAngewandte Chemie, EarlyView.
1,2‐Bisborylalkanes are valuable intermediates for chemical synthesis as they could serve as a platform to generate value‐added products with two distinct functional groups at vicinal positions. A novel strategy to synthesize 1,2‐bisborylalkanes via Fe ligand‐to‐metal charge transfer (LMCT) photocatalysis is developed.
Zheye Zhang   +5 more
wiley   +2 more sources

Hydrogen vs. Halogen Bonds in 1-Halo-Closo-Carboranes. [PDF]

open access: yesMaterials (Basel), 2020
Alkorta I, Elguero J, Oliva-Enrich JM.
europepmc   +1 more source

Chemical Metabolomics: Chemical Biology Tools for Advanced Metabolism Investigations

open access: yesAngewandte Chemie, EarlyView.
The human metabolism has been investigated for several millennia. The metabolome is known for a high complexity due to a large number of different metabolites that are present at different concentrations. Metabolomics has been developed as a field to investigate the entire human metabolome and to elucidate disease development mechanisms.
Alejandro Torregrosa‐Chinillach   +4 more
wiley   +2 more sources

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