Results 261 to 270 of about 129,978 (318)

Structure‐Aware Machine Learning for Polymers: A Hierarchical Graph Network for Predicting Properties From Statistical Ensembles

Macromolecular Rapid Communications, EarlyView.
This work presents a structure‐aware graph convolutional network that models polymers as statistical ensembles to predict macroscopic properties. By combining topologically realistic graphs generated via kinetic Monte Carlo simulations with explicit molar mass distributions, the framework achieves high accuracy in classifying architectures and ...
Julian Kimmig, Yannik Köster, Timo Koswig, Punith Raviswamy, Subhash V. S. Ganti, Stefan Zechel, Christopher Kuenneth, Ulrich S. Schubert   +7 more
wiley   +1 more source

Polarity-Driven Selective Adsorption of Quercetin on Kaolinite: An Integrated DFT and Monte Carlo Study. [PDF]

Materials (Basel)
Ayad A, Harrou A, El Himri A, Benali M, Dira A, Aparicio S, Gutiérrez A, Soldera A, Gharibi E.   +8 more
europepmc   +1 more source

MC BTS: Simultaneously Resolving Magnetization Transfer Effect and Relaxation for Multiple Components

Magnetic Resonance in Medicine, EarlyView.
ABSTRACT Purpose To propose a signal acquisition and modeling framework for multi‐component tissue quantification that encompasses transmit field inhomogeneity, multi‐component relaxation and magnetization transfer (MT) effects. Theory and Methods By applying off‐resonance irradiation between excitation and acquisition within an RF‐spoiled gradient ...
Albert Jang, Hyungseok Jang, Nian Wang, Alexey Samsonov, Fang Liu   +4 more
wiley   +1 more source

Accelerated Free Energy Estimation in <i>Ab Initio</i> Path Integral Monte Carlo Simulations. [PDF]

J Phys Chem Lett
Svensson P, Kalkavouras F, Hernandez Acosta U, Moldabekov ZA, Tolias P, Vorberger J, Dornheim T.   +6 more
europepmc   +1 more source

Technical Review of Magnetic Resonance Fingerprinting Applications in Cerebral Physiology

Magnetic Resonance in Medicine, EarlyView.
ABSTRACT Magnetic resonance fingerprinting (MRF) enables quantitative MRI by allowing the simultaneous mapping of multiple tissue properties through innovative acquisition and computational methods. This review focuses on the application of MRF techniques to cerebral physiology, emphasizing advancements in vascular imaging and the integration of ...
Chieh‐Te Lin, Hanzhang Lu, Audrey P. Fan   +2 more
wiley   +1 more source

Computational structure prediction of lanthipeptides with NMR data reveals underappreciated peptide flexibility. [PDF]

Protein Sci
Tydings CW, Meiler J, Walker AS.
europepmc   +1 more source

Field Strength‐Dependent White Matter R1 and R2 Anisotropy of Phase‐Cycled Balanced Steady‐State Free Precession Relaxometry

Magnetic Resonance in Medicine, EarlyView.
ABSTRACT Purpose To investigate how the relaxation rates (R1, R2) and asymmetry indices (AI), derived from phase‐cycled balanced steady‐state free precession (pc‐bSSFP) data, depend on the orientation of white matter (WM) fiber tracts at different field strengths.
Florian Birk, Hamzeh Tesh, Ali Aghaeifar, Svenja Klinkowski, Praveen Iyyappan Valsala, Sebastian Mueller, Svenja Brodt, Klaus Scheffler, Rahel Heule   +8 more
wiley   +1 more source

Quantum speedup for nonreversible Markov chains. [PDF]

Nat Commun
Claudon B, Piquemal JP, Monmarché P.
europepmc   +1 more source

Terniopsis chanthaburiensis (Podostemaceae), a new record for China and its complete plastid genome

Nordic Journal of Botany, EarlyView.
The genus Terniopsis consists of plants that have not been thoroughly studied, with many species remaining taxonomically unresolved. In this study, Terniopsis chanthaburiensis is reported as a new record of China based on morphological traits. Then, we assembled and annotated its chloroplast genome based on genome skimming data.
Huan‐Xi Yu, Xian‐Lin Guo, Shi‐Liang Wen, Gui‐Can Lin, Xin‐Xin Zhou, Shui‐Xing Luo, Wang‐Gu Xu, Zhi Wang   +7 more
wiley   +1 more source

Depth-dependent fluence compensation without <i>a priori</i> knowledge of tissue composition for quantitative ultrasound-guided photoacoustic imaging. [PDF]

J Biomed Opt
Qin D, Huang X, Sowers T, VanderLaan D, Emelianov S.   +4 more
europepmc   +1 more source