Design of Novel Non-equiatomic Cu-Ni-Al-Ti Composite Medium-Entropy Alloys
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Materials Engineering and Performance"
DOI: 10.1007/s11665-020-04830-w
Abstract: There has been great attention on high-entropy alloys (HEAs) over the past decade. Unlike conventional alloy systems, HEAs commonly include at least five principal elements with equiatomic or near-equiatomic ratio. HEAs with their superior mechanical,… read more here.
Keywords: entropy alloys; novel non; design novel; medium entropy ... See more keywords
Design of novel edible hydrocolloids by structural interplays between wheat gluten proteins and soy protein isolates
Sign Up to like & getrecommendations! Published in 2020 at "Food Hydrocolloids"
DOI: 10.1016/j.foodhyd.2019.105395
Abstract: Abstract Wheat gluten proteins (WPs) are nutritious protein with a large yield, but they are rarely industrially attractive due to their poor water solubility. In this experiment, a pH-cycle was used by co-dissolving WPs and… read more here.
Keywords: protein isolates; design novel; wheat gluten; soy protein ... See more keywords
Structure-based design of novel polyhedral protein nanomaterials.
Sign Up to like & getrecommendations! Published in 2021 at "Current opinion in microbiology"
DOI: 10.1016/j.mib.2021.03.003
Abstract: Organizing matter at the atomic scale is a central goal of nanotechnology. Bottom-up approaches, in which molecular building blocks are programmed to assemble via supramolecular interactions, are a proven and versatile route to new and… read more here.
Keywords: design novel; polyhedral protein; structure based; based design ... See more keywords
The design of novel 4,6-dimethoxyindole based hydrazide-hydrazones: Molecular modeling, synthesis and anticholinesterase activity
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128202
Abstract: Abstract Biologically important hydrazide-hydrazone (–(C=O)NHN=CH) functionality was located at two different positions on 4,6-dimethoxyindole moiety and novel compounds 11a-c and 12a-c were generated by the condensation reactions of indole hydrazones 7 and 8, derived from… read more here.
Keywords: molecular modeling; novel dimethoxyindole; design novel; dimethoxyindole based ... See more keywords
Comprehensive End-to-End Design of Novel High Energy Density Materials: II. Computational Modeling and Predictions
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b07585
Abstract: We have proposed a holistic approach to design novel energetic materials by bridging synthesis, experimental characterization, computational modeling, and validation. Multiscale computational modeling that combines first-principles calculations, analytical theory, and empirical statistical analysis served to… read more here.
Keywords: energetic materials; design novel; computational modeling; comprehensive end ... See more keywords
Hybrid Modeling for Design of a Novel Bridge Pier Collar for Reducing Scour
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Hydraulic Engineering"
DOI: 10.1061/(asce)hy.1943-7900.0001875
Abstract: AbstractBridge pier scour poses major concerns for public safety and riverine communities because of its ability to undermine pier foundations. A new collar design is introduced as an improvement o... read more here.
Keywords: novel bridge; bridge pier; modeling design; hybrid modeling ... See more keywords
In silico studies and the design of novel agents for the treatment of systemic tuberculosis
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2018.1511476
Abstract: Abstract Tuberculosis (TB) is an ancient infectious disease, which re-emerged with the appearance of multidrug-resistant strains and acquired immune deficiency syndrome. Enoyl-acyl-carrier protein reductase (InhA) has emerged as a promising target for the development of… read more here.
Keywords: studies design; silico studies; design novel; novel agents ... See more keywords
Virtual design of novel Plasmodium falciparum cysteine protease falcipain-2 hybrid lactone–chalcone and isatin–chalcone inhibitors probing the S2 active site pocket
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Enzyme Inhibition and Medicinal Chemistry"
DOI: 10.1080/14756366.2018.1564288
Abstract: Abstract We report computer-aided design of new lactone–chalcone and isatin–chalcone (HLCIC) inhibitors of the falcipain-2 (PfFP-2). 3D models of 15 FP-2:HLCIC1-15 complexes with known observed activity (IC50exp) were prepared to establish a quantitative structure–activity (QSAR)… read more here.
Keywords: lactone chalcone; design novel; chalcone isatin; isatin chalcone ... See more keywords
Design of a novel correlative reflection electron microscope for in-situ real-time chemical analysis
Sign Up to like & getrecommendations! Published in 2021 at "Chinese Physics B"
DOI: 10.1088/1674-1056/ac0522
Abstract: A novel instrument that integrates reflection high energy electron diffraction (RHEED), electron energy loss spectroscopy (EELS), and imaging is designed and simulated. Since it can correlate the structural, elemental, and spatial information of the same… read more here.
Keywords: correlative reflection; microscopy; design novel; reflection ... See more keywords
Design of a Novel Sensing Method for a Pneumatic Artificial Muscle Actuator-Driven 2-Degrees of Freedom Parallel Joint.
Sign Up to like & getrecommendations! Published in 2022 at "Soft robotics"
DOI: 10.1089/soro.2021.0097
Abstract: The development of soft actuators and robots has spurred interest in human-friendly robots and devices that can operate in proximity with living things. Researchers have used soft actuators to drive hybrid soft/rigid mechanical platforms with… read more here.
Keywords: artificial muscle; degrees freedom; design novel; pneumatic artificial ... See more keywords
A pipeline for computational design of novel RNA-like topologies
Sign Up to like & getrecommendations! Published in 2018 at "Nucleic Acids Research"
DOI: 10.1093/nar/gky524
Abstract: Abstract Designing novel RNA topologies is a challenge, with important therapeutic and industrial applications. We describe a computational pipeline for design of novel RNA topologies based on our coarse-grained RNA-As-Graphs (RAG) framework. RAG represents RNA… read more here.
Keywords: pipeline; rna like; design novel; novel rna ... See more keywords