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Integrating biophysical modeling, quantum computing, and AI to discover plastic-binding peptides that combat microplastic pollution.
PNAS Nexus
January 2025
Systems Engineering, College of Engineering, Cornell University, Ithaca, NY 14853, USA.
Methods are needed to mitigate microplastic (MP) pollution to minimize their harm to the environment and human health. Given the ability of polypeptides to adsorb strongly to materials of micro- or nanometer size, plastic-binding peptides (PBPs) could help create bio-based tools for detecting, filtering, or degrading MNP pollution. However, the development of such tools is prevented by the lack of PBPs.
View Article and Find Full Text PDFSedimentation and structure of squirmer suspensions under gravity.
Soft Matter
January 2025
Departamento de Estructura de la Materia, Física Térmica y Electrónica, Universidad Complutense de Madrid, 28040 Madrid, Spain.
The effect of gravity on the collective motion of living microswimmers, such as bacteria and micro-algae, is pivotal to unravel not only bio-convection patterns but also the settling of bacterial biofilms on solid surfaces. In this work, we investigate suspensions of microswimmers under the influence of a gravitational field and hydrodynamics, simulated the dissipative particle dynamics (DPD) coarse-grained model. We first study the collective sedimentation of passive colloids and microswimmers of the puller and pusher types upon increasing the imposed gravitational field and compare them with previous results.
View Article and Find Full Text PDFLow-Cost Preparation of Wafer-Scale Au(111) Single Crystals for the Epitaxy of Two-Dimensional Layered Materials.
ACS Nano
January 2025
School of Materials Science and Engineering, Peking University, Beijing 100871, People's Republic of China.
Single-crystal Au(111), renowned for its chemically inert surface, long-range "herringbone" reconstruction, and high electrical conductivity, has long served as an exemplary template in diverse fields, , crystal epitaxy, electronics, and electrocatalysis. However, commercial Au(111) products are high-priced and limited to centimeter sizes, largely restricting their broad applications. Herein, a low-cost, high-reproducible method is developed to produce 4 in.
View Article and Find Full Text PDFIn Situ X-Ray Study During Thermal Cycle Treatment Combined with Complementary Ex Situ Investigation of InGaN Quantum Wells.
Nanomaterials (Basel)
January 2025
Institute of High Pressure Physics, Polish Academy of Sciences, Sokolowska 29/37, 01-142 Warsaw, Poland.
In situ X-ray reciprocal space mapping was performed during the interval heating and cooling of InGaN/GaN quantum wells (QWs) grown via metal-organic vapor phase epitaxy (MOVPE). Our detailed in situ X-ray analysis enabled us to track changes in the peak intensities and radial and angular broadenings of the reflection. By simulating the radial diffraction profiles recorded during the thermal cycle treatment, we demonstrate the presence of indium concentration distributions (ICDs) in the different QWs of the heterostructure (1.
View Article and Find Full Text PDFIdentifying candidate RNA-seq biomarkers for severity discrimination in chemical injuries: A machine learning and molecular dynamics approach.
Int Immunopharmacol
January 2025
Chemical Injuries Research Center, Systems Biology and Poisonings Institute, Baqiyatallah University of Medical Sciences, Tehran, Iran.
Introduction: Biomarkers play a crucial role across various fields by providing insights into biological responses to interventions. High-throughput gene expression profiling technologies facilitate the discovery of data-driven biomarkers through extensive datasets. This study focuses on identifying biomarkers in gene expression data related to chemical injuries by mustard gas, covering a spectrum from healthy individuals to severe injuries.
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