The Singular Molecular Conformation of Humic Acids in Solution Influences Their Ability to Enhance Root Hydraulic Conductivity and Plant Growth [PDF]
Molecules, 2020 Some studies have reported that the capacity of humic substances to improve plant growth is dependent on their ability to increase root hydraulic conductivity.
Maite Olaetxea +4 more
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Organic Phase‐Change Memory Transistor Based on an Organic Semiconductor with Reversible Molecular Conformation Transition [PDF]
Advanced Science, 2023 Phase‐change semiconductor is one of the best candidates for designing nonvolatile memory, but it has never been realized in organic semiconductors until now.
Yongxu Hu +14 more
doaj +2 more sources
Effects of Alkyl Spacer Length in Carbazole‐Based Self‐Assembled Monolayer Materials on Molecular Conformation and Organic Solar Cell Performance [PDF]
Advanced ScienceCarbazole‐based self‐assembled monolayer (SAM) materials as hole transport layers (HTL) have led organic solar cells (OSCs) to state‐of‐the‐art photovoltaic performance.
Qiaonan Chen +15 more
doaj +2 more sources
Photo-stability study of a solution-processed small molecule solar cell system: correlation between molecular conformation and degradation [PDF]
Science and Technology of Advanced Materials, 2018 Solution-processed organic small molecule solar cells (SMSCs) have achieved efficiency over 11%. However, very few studies have focused on their stability under illumination and the origin of the degradation during the so-called burn-in period.
Michael J. Newman +10 more
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Direct Molecular Conformation Generation
Trans. Mach. Learn. Res., 2022 Molecular conformation generation aims to generate three-dimensional coordinates of all the atoms in a molecule and is an important task in bioinformatics and pharmacology. Previous methods usually first predict the interatomic distances, the gradients of interatomic distances or the local structures (e.g., torsion angles) of a molecule, and then ...
Jinhua Zhu 0001 +11 more
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EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistency. [PDF]
J CheminformDespite recent advancement in 3D molecule conformation generation driven by diffusion models, its high computational cost in iterative diffusion/denoising process limits its application.
Fan Z, Yang Y, Xu M, Chen H.
europepmc +2 more sources
Polarity- and Pressure-Induced Emission from a Benzophenone-Based Luminophore
Molecules, 2022 Since strong polarity usually causes emission quenching, materials with polarity-induced emission (PIE) are rarely reported despite their important applications in polar environments. Herein, an N-phenylcarbazole-substituted benzophenone derivative (BP-3-
Qintao Hu +3 more
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Molecules, 2022 Developing molecular generative models for directly generating 3D conformation has recently become a hot research area. Here, an autoencoder based generative model was proposed for molecular conformation generation. A unique feature of our method is that
Mingyuan Xu +4 more
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Auto-Encoding Molecular Conformations
CoRR, 2021 In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent representation. We demonstrate that in this latent representation, similar conformations cluster together while distinct ...
Robin Winter +2 more
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Structural stability of biofilms produced from silkworm cocoon fibers [PDF]
Journal of the Serbian Chemical Society, 2022 Biofilms were obtained from cocoons of the silkworm, Bombyx mori, involving the removal of sericin, extraction and solubilization of fibroin fibers, dialysis of fibroin dispersions and preparation of biofilms by the casting process.
Felício Souza Madureira Ana Lúcia de +1 more
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