Results 11 to 20 of about 155,411 (214)

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

open access: yesJournal of Chemical Information and Modeling, 2021
Automation and optimization of chemical systems require well-informed decisions on what experiments to run to reduce time, materials, and/or computations. Data-driven active learning algorithms have emerged as valuable tools to solve such tasks. Bayesian
Yifan Wang, Tai-Ying Chen, D. Vlachos
semanticscholar   +1 more source

Compressing physics with an autoencoder: Creating an atomic species representation to improve machine learning models in the chemical sciences. [PDF]

open access: yesJournal of Chemical Physics, 2018
We define a vector quantity which corresponds to atomic species identity by compressing a set of physical properties with an autoencoder. This vector, referred to here as the elemental modes, provides many advantages in downstream machine learning tasks.
John E. Herr   +3 more
semanticscholar   +1 more source

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

open access: yesFEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei   +3 more
wiley   +1 more source

Analysing the significance of small conformational changes and low occupancy states in serial crystallographic data

open access: yesFEBS Open Bio, EarlyView.
This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill   +4 more
wiley   +1 more source

Region‐to‐Region Unidirectional Connection In Vitro Brain Model for Studying Directional Propagation of Neuropathologies

open access: yesAdvanced Functional Materials, EarlyView.
A unidirectional cerebral organoid–organoid neural circuit is established using a microfluidic platform, enabling controlled directional propagation of electrical signals, neuroinflammatory cues, and neurodegenerative disease–related proteins between spatially separated organoids.
Kyeong Seob Hwang   +9 more
wiley   +1 more source

MagPiezo: A Magnetogenetic Platform for Remote Activation of Endogenous Piezo1 Channels in Endothelial Cells

open access: yesAdvanced Functional Materials, EarlyView.
MagPiezo enables wireless activation of endogenous Piezo1 channels without genetic modification using 19 nm magnetic nanoparticles and low‐intensity magnetic fields. It generates torque forces at the piconewton scale to trigger mechanotransduction in endothelial cells, standing as a novel platform to interrogate and manipulate Piezo1 activity in vitro.
Susel Del Sol‐Fernández   +7 more
wiley   +1 more source

Infusible Extracellular Matrix Biomaterial Enhances Cell‐Specific Pro‐Repair Responses Following Acute Myocardial Infarction

open access: yesAdvanced Healthcare Materials, EarlyView.
We measure the cell‐specific responses of administering infusible ECM (iECM) in acute myocardial infarction (MI) across multiple timepoints. Using single‐nucleus RNA sequencing and spatial transcriptomics, we measure macrophage activation, fibroblast remodeling, increased vascular development, lymphangiogenesis, cardioprotection, and neurogenesis ...
Joshua M. Mesfin   +18 more
wiley   +1 more source

Human Brain Vasculature‐on‐a‐Chip Model Constructed With Microvessels Isolated From Cryopreserved Postmortem Human Brain Tissue

open access: yesAdvanced Healthcare Materials, EarlyView.
This manuscript describes the cultivation of viable microvessels from cryopreserved human brain tissue. When embedded in hydrogels and cultured in microfluidic devices, these microvessels exhibit complex architectures reminiscent of arterioles and capillaries, can be perfused, and display intact barrier function. Collectively, these results demonstrate
Brian J. O'Grady   +5 more
wiley   +1 more source

Toward Optical Sensors: Review and Applications

open access: yes, 2013
Recent advances in fiber optics (FOs) and the numerous advantages of light over electronic systems have boosted the utility and demand for optical sensors in various military, industry and social fields.
N. Sabri   +4 more
semanticscholar   +1 more source

Mapping Nanoscale Protein‐Corona Kinetics of DoE‐Optimized Perfluorocarbon Encapsulated‐PLGA Nanoparticles by In Situ, Time‐Resolved Synchrotron SAXS

open access: yesAdvanced Healthcare Materials, EarlyView.
A two‐phase workflow (OFAT screening followed by central composite design) maps how processing variables tune PFCE‐PLGA nanoparticle size, dispersity, surface charge, loading, and 19F‐MRI signal. In situ, time‐resolved synchrotron SAXS tracks albumin‐corona growth on intact dispersions and reveals PFCE‐dependent adsorption pathways.
Joice Maria Joseph   +11 more
wiley   +1 more source

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