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
doaj +3 more sources
Revealing molecular conformation-induced stress at embedded interfaces of organic optoelectronic devices by sum frequency generation spectroscopy. [PDF]
Sci Adv, 2021 Interface stress revealed by sum frequency generation spectroscopy is the origin of instability in organic optoelectronic devices. Interface stresses are pervasive and critical in conventional optoelectronic devices and generally lead to many failures ...
Wang Z +17 more
europepmc +2 more sources
Effect of intramolecular hydrogen-bond formation on the molecular conformation of amino acids. [PDF]
Commun Chem, 2020 The molecular conformation of the carboxyl group can be crucial for its chemical properties and intermolecular interactions, especially in complex molecular environments such as polypeptides. Here, we study the conformational behaviour of the model amino
Giubertoni G, Sofronov OO, Bakker HJ.
europepmc +2 more sources
Exploring the Molecular Conformation Space by Soft Molecule-Surface Collision. [PDF]
J Am Chem Soc, 2020 Biomolecules function by adopting multiple conformations. Such dynamics are governed by the conformation landscape whose study requires characterization of the ground and excited conformation states.
Anggara K +6 more
europepmc +2 more sources
Photocrosslinked Alginate-Methacrylate Hydrogels with Modulable Mechanical Properties: Effect of the Molecular Conformation and Electron Density of the Methacrylate Reactive Group. [PDF]
Materials (Basel), 2020 Hydrogels for load-bearing biomedical applications, such as soft tissue replacement, are required to be tough and biocompatible. In this sense, alginate-methacrylate hydrogels (H-ALGMx) are well known to present modulable levels of elasticity depending ...
Araiza-Verduzco F +6 more
europepmc +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
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
Auto-Encoding Molecular Conformations [PDF]
arXiv, 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 ...
Winter, Robin +2 more
arxiv +3 more sources
Reversible mechanical control of molecular conformation. [PDF]
Commun Chem, 2020 Controlling molecular conformation through macroscopic mechanical stimulus may have applications in chiroptical devices, but achieving this in a 3D material is challenging. Now, a quantitative relationship between stretching of an elastomer and reversible conformational changes of a crosslinked molecule has been established.
Bissette AJ.
europepmc +5 more sources
Molecular Conformation Generation via Shifting Scores [PDF]
arXiv, 2023 Molecular conformation generation, a critical aspect of computational chemistry, involves producing the three-dimensional conformer geometry for a given molecule. Generating molecular conformation via diffusion requires learning to reverse a noising process.
Liu, Ruiying +4 more
arxiv +2 more sources