Organic Phase-Change Memory Transistor Based on an Organic Semiconductor with Reversible Molecular Conformation Transition. [PDF]
Adv Sci (Weinh), 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.
Hu Y +14 more
europepmc +2 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
GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation [PDF]
International Conference on Learning Representations, 2022 Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative models.
Minkai Xu +5 more
semanticscholar +1 more source
Do Deep Learning Methods Really Perform Better in Molecular Conformation Generation? [PDF]
arXiv.org, 2023 Molecular conformation generation (MCG) is a fundamental and important problem in drug discovery. Many traditional methods have been developed to solve the MCG problem, such as systematic searching, model-building, random searching, distance geometry ...
G. Zhou +4 more
semanticscholar +1 more source
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
Understanding the AIE phenomenon of nonconjugated rhodamine derivatives via aggregation-induced molecular conformation change. [PDF]
Nat Commun“Understanding the structure-property relationship of organic molecules which exhibit different properties upon aggregation is important for the field of material science.
Yang LL +10 more
europepmc +2 more sources
Efficient Anisotropic Polariton Lasing Using Molecular Conformation and Orientation in Organic Microcavities [PDF]
Advanced Functional Materials, 2022 Organic exciton‐photon polariton lasers are promising candidates for the efficient generation of coherent light at room temperature. While their thresholds are now comparable with those of conventional organic photon lasers, tuning of molecular ...
F. Le Roux +3 more
semanticscholar +1 more source
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
Modeling of Ultrasound-Assisted Extraction, Chemical Composition, Antioxidant Activity, Rheological Aspects, and Biological Properties of “Barhang-e-Kabir” Mucilage [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2021 In this study, response surface methodology (RSM) was used to investigate the influence of independent process parameters including water to seed ratio (g/g), temperature (°C), time (min), and ultrasonic intensity (%) on the extraction yield of “Barhang ...
Behrooz Alizadeh Behbahani +1 more
doaj +1 more source