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Works (19)
Updated: November 14th, 2024 05:02
2024 journal article
Bulk proton conduction in films from a truncated reflectin variant
APL MATERIALS, 12(10).
open access via doi.org (publisher)
Sources: Web Of Science, NC State University Libraries
Added: November 12, 2024
2024 journal article
Electrostatic self-assembly yields a structurally stabilized PEDOT:PSS with efficient mixed transport and high-performance OECTs
MATTER, 7(3).
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
7. Affordable and Clean Energy
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: April 22, 2024
2024 article
Structural determination of a full-length plant cellulose synthase informed by experimental and in silico methods
Kwansa, A. L., Singh, A., Williams, J. T., Haigler, C. H., Roberts, A. W., & Yingling, Y. G. (2024, January 6). CELLULOSE, Vol. 1.
author keywords: Plant cellulose synthesis; Protein homology model; Molecular dynamics simulation; Hydrogen bonding; Gossypium hirsutum
Sources: Web Of Science, NC State University Libraries
Added: January 16, 2024
2023 article
Correlation of Emulsion Chemistry, Film Morphology, and Device Performance in Polyfluorene LEDs Deposited by RIR-MAPLE
Zhang, B., Pinky, S. K., Kwansa, A. L., Ferguson, S., Yingling, Y. G., & Stiff-Roberts, A. D. (2023, March 29). ACS APPLIED MATERIALS & INTERFACES, Vol. 3.
author keywords: matrix-assisted pulsed laser evaporation; molecular dynamics; polyfluorene; emulsions; light-emitting diodes
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: March 30, 2023
2023 journal article
DFT-Based Calculation of Molecular Hyperpolarizability and SFG Intensity of Symmetric and Asymmetric Stretch Modes of Alkyl Groups
JOURNAL OF PHYSICAL CHEMISTRY B, 127(39), 8456–8467.
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: October 16, 2023
2023 article
Effect of solvent on the emulsion and morphology of polyfluorene films: all-atom molecular dynamics approach
Pinky, S. K., Kwansa, A. L., Zhang, B., Stiff-Roberts, A. D., & Yingling, Y. G. (2023, February 2). SOFT MATTER, Vol. 2.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: February 14, 2023
2023 journal article
Insights into substrate coordination and glycosyl transfer of poplar cellulose synthase-8
STRUCTURE, 31(10), 1166-+.
TL;DR:
Substrate- and product-bound cryogenic electron microscopy structures of the homotrimeric cellulose synthase isoform-8 (CesA8) from hybrid aspen (poplar) are presented and prolonged interactions of the gating loop with the substrate molecule, particularly across its central conserved region are revealed.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: November 13, 2023
2023 article
Molecular Mechanism of Plasticizer Exudation from Polyvinyl Chloride
Kwansa, A. L. L., Pani, R. C. C., DeLoach, J. A. A., Tieppo, A., Moskala, E. J. J., Perri, S. T. T., & Yingling, Y. G. G. (2023, June 22). MACROMOLECULES, Vol. 6.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: July 10, 2023
2023 article
Squid Skin Cell-Inspired Refractive Index Mapping of Cells, Vesicles, and Nanostructures
Chatterjee, A., Pratakshya, P., Kwansa, A. L., Kaimal, N., Cannon, A. H., Sartori, B., … Gorodetsky, A. A. (2023, January 24). ACS BIOMATERIALS SCIENCE & ENGINEERING, Vol. 1.
author keywords: cephalopods; engineered cells; optical materials; refractive index; self-assembly; proteins; reflectins
MeSH headings : Animals; Decapodiformes / chemistry; Refractometry; Proteins / chemistry; Biocompatible Materials; Nanostructures
TL;DR:
A synergistic combination of experimental and computational methodologies are employed to systematically map the three-dimensional refractive index distributions of model self-assembled reflectin-based structures both in vivo and in vitro and may improve understanding of squid skin cell functionality, augment existing methods for characterizing protein-based optical materials, and expand the utility of emerging holotomographic microscopy techniques.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
14. Life Below Water
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: March 13, 2023
2022 article
Evidence for Plant-Conserved Region Mediated Trimeric CESAs in Plant Cellulose Synthase Complexes br
Du, J., Vandavasi, V. G., Molloy, K. R., Yang, H., Massenburg, L. N., Singh, A., … Nixon, B. T. (2022, August 10). BIOMACROMOLECULES, Vol. 8.
MeSH headings : Arabidopsis / genetics; Arabidopsis Proteins; Cell Wall; Cellulose; Glucosyltransferases / chemistry; Glucosyltransferases / genetics
TL;DR:
Inter-subunit lysine-crosslinks that localize to the small P-CR, negative-stain EM structure, and modeling data for homotrimers of AtCESA1CatD suggest that homomeric CESA trimers may be important for the synthesis of primary and secondary cell walls and identify key residues for future mutagenic studies.
(via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 11, 2022
2021 journal article
Phenotypic effects of changes in the FTVTxK region of an Arabidopsis secondary wall cellulose synthase compared with results from analogous mutations in other isoforms
PLANT DIRECT, 5(8).
author keywords: AtCesA7; cellulose synthesis complex; genetic complementation; irx3-1 mutant; PpCesA5; protein engineering; sum frequency generation spectroscopy
TL;DR:
The cumulative results show that the FTVTxK region is important for the function of an angiosperm secondary wall CesA as well as widely divergent primary wall CesAs, while differences in complementation results between isomers may reflect functional differences that can be explored in further work.
(via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2021
2021 journal article
Uncertainty Quantification and Sensitivity Analysis of Partial Charges on Macroscopic Solvent Properties in Molecular Dynamics Simulations with a Machine Learning Model
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 61(4), 1745–1761.
MeSH headings : Machine Learning; Molecular Dynamics Simulation; Solvents; Static Electricity; Uncertainty
TL;DR:
The results indicate that the effect of partial charge variance on bulk properties, such as solubility parameters, diffusivity, dipole moment, and density, measured from MD simulations is significant; however, measured properties are observed to be less sensitive to partial charges of less accessible atoms.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: March 18, 2021
2020 journal article
Anisotropic Optical and Frictional Properties of Langmuir-Blodgett Film Consisting of Uniaxially-Aligned Rod-Shaped Cellulose Nanocrystals
ADVANCED MATERIALS INTERFACES, 7(9).
author keywords: cellulose nanocrystals; frictional anisotropy; Langmuir-Blodgett films; optical anisotropy; uniaxial alignments
Sources: Web Of Science, NC State University Libraries
Added: June 1, 2020
2020 journal article
Partially Fluorinated Copolymers as Oxygen Sensitive(19)F MRI Agents
CHEMISTRY-A EUROPEAN JOURNAL, 26(44), 9982–9990.
author keywords: F-19 MRI; amphiphilic copolymer; fluorinated monomers; oxygen sensing; polyacrylates
MeSH headings : Fluorine / analysis; Fluorine / chemistry; Halogenation; Magnetic Resonance Imaging; Oxygen / analysis; Oxygen / chemistry; Partial Pressure; Polymers / chemistry
TL;DR:
High-performance highly fluorinated monomers are reported that provide a platform to realize water-soluble, partially fluorinated copolymers as 19 F MRI agents with the required sensitivity to quantify solution oxygenation at clinically relevant magnetic field strengths.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: July 20, 2020
2020 journal article
Structure, self-assembly, and properties of a truncated reflectin variant
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 117(52), 32891–32901.
author keywords: reflectin; self-assembly; proteins; biomaterials; optical properties
TL;DR:
The molecular-level structure of a model reflectin variant is resolved at the molecular level, a straightforward approach to controlling the assembly of this protein is established, and a correlation between its structural characteristics and light-manipulating properties is established.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
14. Life Below Water
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: January 25, 2021
2018 journal article
Progress in ligand design for monolayer-protected nanoparticles for nanobio interfaces
Biointerphases, 13(6), 06D502.
Contributors: M. Manning n, n, T. Oweida n, J. Peerless n, A. Singh n & Y. Yingling n
MeSH headings : Drug Carriers / chemistry; Humans; Nanomedicine / economics; Nanomedicine / methods; Nanomedicine / trends; Nanoparticles / chemistry; Surface Properties; Technology, Pharmaceutical / economics; Technology, Pharmaceutical / methods; Technology, Pharmaceutical / trends
TL;DR:
A comprehensive understanding of ligand design principles lies in the cost associated with synthesizing and characterizing diverse ligand chemistries and the ability to carefully assess the structural integrity of biomolecules upon interactions with nanoparticles.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, Crossref, ORCID, NC State University Libraries
Added: December 3, 2018
2016 review
Advances in Molecular Modeling of Nanoparticle Nucleic Acid Interfaces
[Review of ]. BIOCONJUGATE CHEMISTRY, 28(1), 3–10.
Contributors: J. Nash n, n, J. Peerless n, H. Kim n & Y. Yingling n
MeSH headings : Ligands; Models, Molecular; Nanoparticles / chemistry; Nucleic Acids / chemistry; Solvents / chemistry
TL;DR:
This Topical Review briefly review computational methods relevant to the interactions of inorganic NPs and nucleic acids and highlight recent insights obtained from various computational methods that were applied to studies of in organic nanoparticle-nanoparticle and nanoparticles-nucleic acid interfaces.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2016 journal article
Tensile mechanical properties of collagen type I and its enzymatic crosslinks
BIOPHYSICAL CHEMISTRY, 214, 1–10.
author keywords: Type I collagen; Microfibril; Enzyme-derived crosslink; Molecular dynamics
MeSH headings : Amino Acids; Bone and Bones / physiology; Collagen Type I / chemistry; Cross-Linking Reagents; Dipeptides; Elastic Modulus; Enzymes; Humans; Microfibrils / chemistry; Models, Molecular; Molecular Dynamics Simulation; Skin Physiological Phenomena; Structure-Activity Relationship; Tensile Strength
TL;DR:
Bond dissociation analysis suggests that PYD is more brittle than HHL, with deH-HLNL and HLKNL being similarly ductile; chemical structure-function relationships identified for these crosslinks can aid the development of larger-scale models of collagenous tissues and materials.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2015 journal article
Fullerenes in Aromatic Solvents: Correlation between Solvation-Shell Structure, Solvate Formation, and Solubility
JOURNAL OF PHYSICAL CHEMISTRY B, 119(49), 15344–15352.
Contributors: Y. Yingling n , n, G. Bowers n & J. Peerless n
TL;DR:
The determined dependence of the solvation-shell structure on the geometric shape of the solvent might allow for enhanced control of fullerene solution-phase behavior during processing by chemically tailoring the solvent molecular structure, potentially diminishing the need for costly and environmentally harmful halogenated solvents and/or additives.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
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