Informatics derived materials databases for multifunctional properties
Science and Technology of Advanced Materials, 2015 In this review, we provide an overview of the development of quantitative structure–property relationships incorporating the impact of data uncertainty from small, limited knowledge data sets from which we rapidly develop new and larger databases. Unlike
Scott Broderick, Krishna Rajan
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Structure-property relationships in low-temperature adhesives [PDF]
Adhesive materials of aliphatic polyester, linear hydroxyl end-capped polybutadienes, or SBS block copolymers are studied with the objective to replace conventional partially aromatic end-reactive polyester-isocyanate adhesives that have shown ...
Gillham, J. K., Schoff, C. K., Udipi, K.
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Interplay of octahedral rotations and breathing distortions in charge ordering perovskite oxides
, 2013 We investigate the structure--property relationships in $AB$O$_3$ perovskites exhibiting octahedral rotations and cooperative octahedral breathing distortions (CBD) using group theoretical methods.
Balachandran, Prasanna V. +1 more
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Molecular Oncology, EarlyView.RNA profiling of circulating extracellular vesicles (EVs) from blood samples of men undergoing prostate biopsy identifies transcripts associated with clinically significant prostate cancer. Integrative analysis with public tumor datasets links EV‐derived gene signatures to tumor stage and progression‐free survival, highlighting CASP3, XRCC2, and RIT1 ...
Stefan Werner +14 more
wiley +1 more source
Variable Connectivity Index as a Tool for Modeling Structure-Property Relationships
Molecules, 2004 We report on the calculation of normal boiling points for a series of n = 58 aliphatic alcohols using the variable connectivity index in which variables x and y are used to modify the weights on carbon (x) and oxygen atoms (y) in molecular graphs ...
Subhash C. Basak +3 more
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Quantitative Structure-Property Relationships for Predicting the Retention Indices of Fragrances on Stationary Phases of Different Polarity [PDF]
, 2017 El objetivo de este trabajo fue el desarrollo de relaciones cuantitativas estructura–propiedad predictivas para el modelado de índices de retención (I) de fragancias, medidas en tres fases estacionarias de diferente polaridad: DB–225MS, HP5–MS y HP–1. Se
Duchowicz, Pablo Román +3 more
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Ortho-Fluorination of azophenols increases the mesophase stability of photoresponsive hydrogen-bonded liquid crystals [PDF]
, 2018 Photoresponsive liquid crystals (LCs) whose alignment can be controlled with UV-Visible light are appealing for a range of photonic applications. From the perspective of exploring the interplay between the light response and the self-assembly of the ...
Ahmed Z. +5 more
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FEBS Open Bio, EarlyView.Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley +1 more source
Structure–Property Relationships of Dibenzylidenecyclohexanones
ACS Omega, 2022 Marina V. Fomina +7 more
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Structure-property relationships in glass reinforced polyamide, part 2: The effects of average fiber diameter and diameter distribution [PDF]
, 2006 We present the results of an extensive study of the influence of average fibre diameter and the width of the diameter distribution on the performance of injection moulded glass-fibre reinforced polyamide 66. In the average fibre diameter range from 9-18m
Akay +34 more
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