Results 141 to 150 of about 4,315 (225)

The Preparatory (Anti)Bonding Character of Molecular Orbitals

open access: yesAdvanced Science, EarlyView.
Herein, a concept to qualitatively predict changes in bond dissociation energies upon reduction or oxidation of molecular compounds is introduced. Changing the population of so‐called preparatory molecular orbitals influences how molecular fragments are relaxing after bond cleavage, which is shown for isolated organometallic aluminum compounds as well ...
Jonas O. Wenzel   +10 more
wiley   +1 more source

Automation and Active Learning for the Multi‐Objective Optimization of Antibody Formulations

open access: yesAdvanced Science, EarlyView.
Successful antibody formulation necessitates balancing factors such as thermal stability, colloidal stability, and viscosity across a vast excipient design space. This work integrates robotic liquid handling, high‐throughput biophysical characterization, and multi‐objective Bayesian optimization in an iterative closed‐loop Design‐Build‐Test‐Learn cycle.
D. Christopher Radford   +3 more
wiley   +1 more source

Plaid‐Like Spin Splitting and Chirality of Magnon Bands in Antiferromagnetic MnTe2

open access: yesAdvanced Science, EarlyView.
Helicity‐ and angle‐resolved Raman spectroscopy reveals chiral magnons in the non‐coplanar antiferromagnet MnTe 2. Combined with first‐principles calculations and spin‐wave theory, the results establish its altermagnetic character through circular Raman dichroism, reduced rotational symmetry, and a distinctive plaid‐like momentum‐space magnon spin ...
Dirk Wulferding   +10 more
wiley   +1 more source

Generating models for isoform-specific PKM-KIBRA interactions with BIFC, stabilization and AlphaFold 3. [PDF]

open access: yesMol Brain
Amoah E   +6 more
europepmc   +1 more source

scTIDE: Deciphering Critical Transitions Through Cell‐Perturbed Manifold Graphs and Optimal Transport Conditional Flow Matching

open access: yesAdvanced Science, EarlyView.
scTIDE identifies single‐cell tipping points by combining manifold‐based graph representations with optimal‐transport conditional flow matching, which preserves intrinsic topology and models distributional dynamics. It supports critical‐transition detection at individual‐cell resolution, prediction of unseen cells, and dimensionality reduction and ...
Jiayuan Zhong   +6 more
wiley   +1 more source

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