Structure-Property Relationships in Lanthanide-Doped Upconverting Nanocrystals: Recent Advances in Understanding Core-Shell Structures.
Sign Up to like & getrecommendations! Published in 2019 at "Advanced materials"
DOI: 10.1002/adma.201900623
Abstract: The production of upconverting nanostructures with tailored optical properties is of major technological interest, and rapid progress toward the realization of such production has been made in recent years. Ultimately, accurate understanding of nanostructure organization… read more here.
Keywords: property relationships; core shell; optical properties; structure ... See more keywords
Structure–property relationship in PP/LDPE blend composites: The role of nanoclay localization
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Applied Polymer Science"
DOI: 10.1002/app.46193
Abstract: Copyright: 2018 Wiley. Due to copyright restrictions, the attached PDF file only contains the abstract of the full text item. For access to the full text item, kindly consult the publisher's website. read more here.
Keywords: ldpe blend; property relationship; composites role; blend composites ... See more keywords
Quantitative structure‐property relationship modeling of small organic molecules for solar cells applications
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Chemometrics"
DOI: 10.1002/cem.2957
Abstract: Despite the need of a reliable technology for solar energy harvesting, research on new materials for third generation photovoltaics is slowed down by the diffuse use of trial and error rather than rational material design… read more here.
Keywords: modeling small; quantitative structure; property relationship; relationship modeling ... See more keywords
Structure–property relations of nylon‐6 and polytetramethylene glycol based multiblock copolymers with microphase separation prepared through reactive processing
Sign Up to like & getrecommendations! Published in 2017 at "Polymer International"
DOI: 10.1002/pi.5278
Abstract: A series of poly(urethane-urea-amide) thermoplastic elastomers (PUUAs) based on polytetrahydrofuran (polytetramethylene glycol, PTMG), nylon-6 and 4,4′-diphenylmethane diisocyanate were synthesized through reactive processing. This method solved the incompatibility of nylon-6 and PTMG, and these model elastomers… read more here.
Keywords: processing; property relations; polytetramethylene glycol; structure ... See more keywords
Building a Quantitative Structure-Property Relationship (QSPR) Model.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-9089-4_8
Abstract: Knowing the physicochemical and general biochemical properties of a compound is critical to understanding how it behaves in different biological environments and to anticipating what is likely to happen in situations where that behavior cannot… read more here.
Keywords: quantitative structure; property relationship; model; structure ... See more keywords
Trends in hyperspectral imaging: from environmental and health sensing to structure-property and nano-bio interaction studies
Sign Up to like & getrecommendations! Published in 2022 at "Analytical and Bioanalytical Chemistry"
DOI: 10.1007/s00216-022-03959-y
Abstract: Hyperspectral imaging (HSI) is a technique that allows for the simultaneous acquisition of both spatial and spectral information. While HSI has been known for years in the field of remote sensing, for instance in geology,… read more here.
Keywords: structure property; hyperspectral imaging; nano bio; hsi ... See more keywords
Transfer learning of deep material network for seamless structure–property predictions
Sign Up to like & getrecommendations! Published in 2019 at "Computational Mechanics"
DOI: 10.1007/s00466-019-01704-4
Abstract: Modern materials design requires reliable and consistent structure–property relationships. The paper addresses the need through transfer learning of deep material network (DMN). In the proposed learning strategy, we store the knowledge of a pre-trained network… read more here.
Keywords: learning deep; structure property; transfer learning; structure ... See more keywords
Structure–property relation and relevance of beam theories for microtubules: a coupled molecular and continuum mechanics study
Sign Up to like & getrecommendations! Published in 2018 at "Biomechanics and Modeling in Mechanobiology"
DOI: 10.1007/s10237-017-0964-9
Abstract: Quasi-one-dimensional microtubules (MTs) in cells enjoy high axial rigidity but large transverse flexibility due to the inter-protofilament (PF) sliding. This study aims to explore the structure–property relation for MTs and examine the relevance of the… read more here.
Keywords: beam theories; inter sliding; structure property; mechanics ... See more keywords
Structure–property relationships of blended polysaccharide and protein biomaterials in ionic liquid
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DOI: 10.1007/s10570-017-1208-y
Abstract: Cellulose and silk blended biomaterial films were regenerated from ionic liquid solution and investigated to characterize and understand the effect of inter- and intra-molecular interactions upon the morphology and thermal properties. The blended films were… read more here.
Keywords: ionic liquid; property relationships; blended polysaccharide; structure ... See more keywords
3D molecular fragment descriptors for structure–property modeling: predicting the free energies for the complexation between antipodal guests and β-cyclodextrins
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Inclusion Phenomena and Macrocyclic Chemistry"
DOI: 10.1007/s10847-017-0739-z
Abstract: We report new 3D fragment descriptors to model parameters and properties of stereoisomeric molecules and conformers. New 3D fragment descriptors have been applied to discriminate between stereoisomers in predictive QSPR modeling of the standard free… read more here.
Keywords: property modeling; descriptors structure; molecular fragment; complexation ... See more keywords
Study on Structure and Property of Lutetium Introduced Silicon Clusters LuSin (n = 3–10) and Their Anions with Density Functional Theory
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Cluster Science"
DOI: 10.1007/s10876-017-1225-x
Abstract: The geometries, electronic structures and properties including simulated photoelectron spectra (PES), adiabatic electron affinities (AEAs), and relative stability of LuSin (n = 3–10) and their anions were investigated adopting the ABCluster global search technique combined with density… read more here.
Keywords: lusin anions; density functional; property lutetium; structure ... See more keywords