Results 201 to 210 of about 692,743 (288)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Mechanism of Growth Phase-Dependent Nanoplastic Bioaccumulation in <i>Tetrahymena thermophila</i>. [PDF]

Antioxidants (Basel)
Jiang Z, Wei T, Tong H, Xing R, Peng D, Yuan T, Zhao L, Min M, Guo W.   +8 more
europepmc   +1 more source

LL‐37 Driven Phase Transition and Stacking in Oligolamellar Gram‐Negative Bacterial Membrane Models

Advanced Functional Materials, EarlyView.
This work establishes oligolamellar bacterial membrane models to investigate how LL‐37 disrupts the complex dual‐bilayer architecture of Gram‐negative bacteria. Combining SAXS, cryo‐TEM, electrophoretic mobility measurements, and coarse‐grained simulations, it reveals cardiolipin‐driven phase transitions leading to bicelle‐like structures and membrane ...
Bettina Tran, Diane C.A. Lima, Linda Sandblad, Madeleine Ramstedt, Thereza A. Soares, Stefan Salentinig   +5 more
wiley   +1 more source

Oxygen delivery and consumption in aging skeletal muscle: Insights from an electric analogy model of PO₂ transients. [PDF]

Physiol Rep
Golub AS, Pittman RN, Nugent WH, Song BK.   +3 more
europepmc   +1 more source

Amyloidogenic Peptide Fragments Designed From Bacterial Collagen‐like Proteins Form Hydrogel

Advanced Functional Materials, EarlyView.
This study identified amyloidogenic sequence motifs in bacterial collagen‐like proteins and exploited these to design peptides that self‐assemble into β‐sheet fibers and form hydrogels. One hydrogel supported healthy fibroblast growth, showing promise for biocompatible materials. Our work demonstrates that bacterial sequences can be harnessed to create
Vamika Sagar, Xuen J Ng, Lukas Lechel, Ashish Chand Rajwar, Hendrik Bargel, Abhishek A. Jalan   +5 more
wiley   +1 more source

Modelling <i>Fusobacterium</i> lifestyles transitions by integrating transcriptomics and growth data. [PDF]

Curr Res Microb Sci
Giovannini M, Bosi E, Vieri W, Presta L, Viciani E, Bernabei I, Nannini G, Stares MD, Browne H, Lawley TD, Sauter T, Letellier E, Karta J, Amedei A, Fani R, Fondi M.   +15 more
europepmc   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon, Han‐Gyun Lim, Jinyoung Kim, Gyu Min Kim, Seojun Lee, Jun Ryu, SungWon Cho, Jincheol Kim, Hyosung Choi, Jung Sang Cho, Jongsung Park, Dong‐Won Kang   +11 more
wiley   +1 more source

Nonparametric Tests for Exponentiality Against IFRA Alternatives Based on Cumulative Extropy Measures. [PDF]

Entropy (Basel)
Alqefari AA.
europepmc   +1 more source

Interfacial Modulation for High‐Efficiency Large‐Area Organic Photovoltaics and Perovskite‐Organic Tandem Solar Modules

Advanced Functional Materials, EarlyView.
Self‐assembled monolayers (SAMs) are promising hole‐transporting materials for organic photovoltaics (OPVs), but suffer from self‐aggregation and poor large‐area uniformity. We find that interfacial modification using nicotinic hydrazide can eliminate the residual SAM aggregates by forming energetically favorable complexes, yielding uniform SAM.
Seongwon Yoon, Kangsik Cho, Sungmin Park, Kyeongmin Kim, Hyungju Ahn, Junhyeong Kim, Ahyeon Jin, Uijoon Lee, Yoon Hee Jang, Yongseok Jun, Hae Jung Son   +10 more
wiley   +1 more source