Results 151 to 160 of about 385 (164)

Artificial intelligence‐assisted design, synthesis and analysis of smart biomaterials

open access: yesBMEMat, EarlyView.
Smart biomaterials are rapidly emerging as tools for tissue engineering, and artificial intelligence has played essential roles in biomaterial studies. By bridging the literature gap in AI‐based design, synthesis and analysis of smart biomaterials, the current review shares perspectives on how biomaterial scientists can practically incorporate AI for ...
Pengfei Jiang   +9 more
wiley   +1 more source

Conformational Trajectory of the Molecular Chameleon Grazoprevir from Formulation to Target‐Bound

open access: yesChemistry – A European Journal, EarlyView.
ABSTRACT Macrocycles represent a promising class of beyond‐rule‐of‐5 (bRo5) therapeutics, capable of targeting proteins traditionally considered undruggable by conventional small molecules. Macrocycles exhibit intrinsic flexibility and often display a “chameleon‐like” ability to adapt to their environment, thereby enhancing their oral bioavailability ...
Lianne H. E. Wieske   +5 more
wiley   +1 more source

Magnetic Dynamics and Elongated Coherence of a High‐Spin Mn(II) Qubit Doped into a Metal‐Organic Framework

open access: yesChemistry – A European Journal, EarlyView.
This study demonstrates that dilute Mn(II) (∼0.02 mol%) doped into the Zn(II)‐MOF [CH6N3][Zn(HCOO)3] act as high‐spin (S = 5/2) spin qubits, achieving microsecond phase memory times above 50 K—the first report for Mn(II)‐based systems. Robust hydrogen‐bonding networks suppress relaxation and stabilize the lattice, extending T2.
Shraddha Gupta   +7 more
wiley   +1 more source

Rank‐based estimation of propensity score weights via subclassification

open access: yesCanadian Journal of Statistics, EarlyView.
Abstract Propensity score (PS) weighting estimators are widely used for causal effect estimation and enjoy desirable theoretical properties, such as consistency and potential efficiency under correct model specification. However, their performance can degrade in practice due to sensitivity to PS model misspecification.
Linbo Wang   +3 more
wiley   +1 more source

Discovery of Oxyacanthine Dihydrochloride Monohydrate Polymorphs from Obfuscated Samples by Microcrystal Electron Diffraction

open access: yesChemMedChem, EarlyView.
The practical application of microcrystal electron diffraction is demonstrated to identify two polymorphic crystal structures of oxyacanthine dihydrochloride monohydrate from obfuscated samples that had been mislabeled as "berbamine dihydrochloride".
Jieye Lin   +3 more
wiley   +1 more source

Applying Machine Learning Methods to Laser Acceleration of Protons: Synthetic Data for Exploring the High Repetition Rate Regime

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT Advances in ultra‐intense laser technology have increased repetition rates and average power for chirped‐pulse laser systems, which offer a promising solution for many applications including energetic proton sources. An important challenge is the need to optimize and control the proton source by varying some of the many degrees of freedom ...
John J. Felice   +7 more
wiley   +1 more source

Hygroscopic Organic Complex Mutated Helmholtz Plane of Zn Anode for Outstanding Zinc Ion Battery

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Simple and commercial approach was established to in‐situ construct a hygroscopic Zn complex protective layer. This protective layer can absorb water molecules and trap it away from Zn anode. The hygroscopic layer can dehydrate the electrolyte and enhance the de‐solvation process and partial form nitrogen rich SEI which lead to reduce the mechanical ...
Abdelnaby M. Elshahawy   +5 more
wiley   +1 more source

Redox‐Mediating Mo2C Nanoparticles Confined Within Nitrogen‐ and Phosphorus‐Codoped Amorphous Carbon Matrix for Lithium–Sulfur Batteries

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A multifunctional interlayer composed of Mo2C nanoparticles embedded in a nitrogen‐ and phosphorus‐doped amorphous carbon matrix on graphene is developed via electrostatic self‐assembly and thermal transformation. The resulting architecture suppresses the shuttle effect, improves electrical conductivity, and facilitates redox conversion kinetics ...
Won Il Kim   +7 more
wiley   +1 more source

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