Articles with "chemical functionalization" as a keyword



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Electronic and magnetic properties of TATA‐DNA sequence driven by chemical functionalization

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Published in 2023 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.27079

Abstract: The TATA box is a promoter sequence able to interact directly with the components of the basal transcription initiation machinery. We investigate the changes in the electronic and magnetic properties of a TATA‐DNA sequence when… read more here.

Keywords: dna; functionalization; sequence; chemical functionalization ... See more keywords
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Thermal conductivity of penta-graphene: The role of chemical functionalization

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Published in 2017 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2017.05.042

Abstract: Abstract Penta-graphene (PG) has recently been identified as a novel two-dimensional carbon allotrope comprising entirely of pure pentagons and possessing many unique properties beyond graphene. Herein we investigate the thermal conductivity of hydrogenated and oxidized… read more here.

Keywords: chemical functionalization; thermal conductivity; coverage; conductivity ... See more keywords
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Toughening of graphene-based polymer nanocomposites via tuning chemical functionalization

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Published in 2020 at "Composites Science and Technology"

DOI: 10.1016/j.compscitech.2020.108140

Abstract: Abstract Previous experiments on the mechanics of graphene-based polymer nanocomposites report their mechanical properties far below theoretical predictions. A critical factor in this regard is the nature and strength of nanofiller/matrix interfacial bonding. Herein, beneficial… read more here.

Keywords: polymer nanocomposites; graphene based; based polymer; chemical functionalization ... See more keywords
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Surface chemical functionalization of starch nanocrystals modified by 3-aminopropyl triethoxysilane.

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Published in 2019 at "International journal of biological macromolecules"

DOI: 10.1016/j.ijbiomac.2018.12.200

Abstract: A comparative experiment about the 3‑aminopropyl triethoxysilane (APTES) modification of waxy potato starch nanocrystals (WPSNCs) and waxy maize starch nanocrystals (WMSNCs) was employed in the present study. The purpose of surface chemical functionalization was to… read more here.

Keywords: chemical functionalization; aminopropyl triethoxysilane; surface chemical; starch nanocrystals ... See more keywords
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Kinetic and structural characterization of therapeutic albumin chemical functionalization using complementary mass spectrometry techniques.

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Published in 2020 at "Journal of pharmaceutical and biomedical analysis"

DOI: 10.1016/j.jpba.2020.113242

Abstract: Protein conjugates such as antibody-drugs conjugates (ADCs) represents the next generation of therapeutic proteins. They allow to combine the biological properties of the protein format with the characteristics of the conjugated ligands. The reaction implemented… read more here.

Keywords: chemical functionalization; kinetic structural; reaction; structural characterization ... See more keywords
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Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study

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Published in 2020 at "Superlattices and Microstructures"

DOI: 10.1016/j.spmi.2019.106320

Abstract: Abstract First-principles total energy calculations based on the pseudopotential plane-wave method, within the density functional theory, have been carried out to investigate the structural and electronic properties of the pristine and chemically functionalized SiC monolayer.… read more here.

Keywords: chemical functionalization; band gap; sic monolayer; monolayer ... See more keywords
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Chemical functionalization of the zinc selenide surface and its impact on Lactobacillus rhamnosus GG biofilms.

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Published in 2020 at "ACS applied materials & interfaces"

DOI: 10.1021/acsami.0c01335

Abstract: Bacteria grow on surfaces and form communities called biofilms. Bacterial adhesion and properties of the derived biofilms depend, among others, on the nature of the supporting substrate. Here, we report how the surface properties of… read more here.

Keywords: chemical functionalization; lactobacillus rhamnosus; surface; functionalization zinc ... See more keywords
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Emerging Chemical Functionalization of g-C3N4: Covalent/Noncovalent Modifications and Applications.

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Published in 2020 at "ACS nano"

DOI: 10.1021/acsnano.0c06116

Abstract: Atomically 2D thin-layered structures, such as graphene nanosheets, graphitic carbon nitride nanosheets (g-C3N4), hexagonal boron nitride, and transition metal dichalcogenides are emerging as fascinating materials for a good array of domains owing to their rare… read more here.

Keywords: chemical functionalization; chemical; covalent noncovalent; c3n4 ... See more keywords
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Simultaneous extraction and controlled chemical functionalization of hardwood lignin for improved phenolation

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Published in 2021 at "Green Chemistry"

DOI: 10.1039/d1gc00358e

Abstract: Lignin is a promising candidate for the replacement of fossil-based materials, due to its natural abundance and aromatic structure. This same structure poses major challenges to lignin's exploitation for material development. The harsh conditions generally… read more here.

Keywords: lignin; functionalization; phenolation; simultaneous extraction ... See more keywords