Uncovering structure-property relationships of materials by subgroup discovery
New Journal of Physics, 2017 Subgroup discovery (SGD) is presented here as a data-mining approach to help find interpretable local patterns, correlations, and descriptors of a target property in materials-science data.
Bryan R Goldsmith +4 more
doaj +1 more source
9-Vinylanthracene Based Fluorogens: Synthesis, Structure-Property Relationships and Applications
Molecules, 2017 Fluorescent dyes with aggregation-induced emission (AIE) properties exhibit intensified emission upon aggregation. They are promising candidates to study biomolecules and cellular changes in aqueous environments when aggregation formation occurs.
Mengjie Liu +9 more
doaj +1 more source
Structure–Property Relationships in Transition Metal Dichalcogenide Bilayers under Biaxial Strains
Nanomaterials, 2021 This paper reports a Density Functional Theory (DFT) investigation of the electron density and optoelectronic properties of two-dimensional (2D) MX2 (M = Mo, W and X = S, Se, Te) subjected to biaxial strains.
Pingping Jiang +2 more
doaj +1 more source
Structural insights and therapeutic targets in Acinetobacter baumannii capsule biosynthesis
FEBS Letters, EarlyView.Hypervirulent KL49 A. baumannii's capsular polysaccharide contains the nonulosonic acid 8‐epi‐Leg5,7Ac2, synthesized by epimerization via ElaA, ElaB, and ElaC. Crystal structures of ElaA, ElaB, and ElaC reveal their role in CMP‐Leg5,7Ac2 synthesis and regioselective C8 epimerization.
Woo Cheol Lee +7 more
wiley +1 more source
Exploring structure-property relationships of silver 4-(phenylethynyl)pyridine complexes [PDF]
, 2017 Silver(salts demonstrate a strong preference for forming linear complexes when reacted with 4-(phenylethynyl)-pyridine (pep). The packing of these complexes was found to be strongly influenced by the counteranions, namely PF6-,BF4-, NO2-, NO3-, MeCO2 ...
Paul R. Raithby +35 more
core +1 more source
Modelling stem cell differentiation related processes—A practical overview for biologists
FEBS Letters, EarlyView.Stem cell differentiation is complex and difficult to control experimentally. This review introduces suitable computational modelling approaches that can support stem cell research, from mechanistic ODE and abstract models to multiscale and deep learning methods.
Ricco Zeegelaar +4 more
wiley +1 more source
Exploration of Structure-Property Relationships
CHIMIA, 2001 Electrostriction and elasticity provide highly sensitive probes for the exploration of structure-property relationships. With the aid of modern high-resolution capacitive dilatometers reliable linear and quadratic electrostrictive constants can ...
Jürgen Schreuer
doaj
High elastic modulus polyethylene: Process‐structure‐property relationships
SPE PolymersPrevious studies have shown that gel‐spun‐ultra‐high‐molecular‐weight polyethylene (UHMWPE) produces thin fibril products that exhibit high tensile moduli (35–200 GPa).
Chung‐Fu Cheng +6 more
doaj +1 more source
Structure–Property–Activity Relationships in Carbon Dots
, 2022 Carbon dots (CDs) are one of the most versatile nanomaterials discovered in the 21st century. They possess many properties and thus hold potentials in diverse applications.
Yiqun Zhou +5 more
core +1 more source
Design and analysis strategies for robust microbiome ageing research
FEBS Letters, EarlyView.The gut microbiome changes with age and associates with age‐related morbidity and mortality, establishing it as a potential biomarker and intervention target for ageing. Realising this potential requires methodological rigour, yet distinguishing biological signals from methodological artefacts remains challenging across cohorts. This review provides an
Mark Olenik +5 more
wiley +1 more source