Yaroslava G Yingling

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.

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.

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.

Insights into substrate coordination and glycosyl transfer of poplar cellulose synthase-8

STRUCTURE, 31(10), 1166-+.

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.

Resolving Structure of ssDNA in Solution by Fusing Molecular Simulations and Scattering Experiments with Machine Learning

Oweida, T. J., & Yingling, Y. G. (2023, September 7). ADVANCED THEORY AND SIMULATIONS, Vol. 9.

Role of Nanoscale Morphology on the Efficiency of Solvent-Based Desalination Method

Peerless, J. S., Gulyuk, A. V., Milliken, N. J. B., Kim, G. D., Reid, E., Lee, J. W., … Yingling, Y. G. (2023, January 25). ACS ES&T WATER, Vol. 1.

Solvent Effects in Ligand Stripping Behavior of Colloidal Nanoparticles

Mahmood, A. U., Rizvi, M. H., Tracy, J. B., & Yingling, Y. G. (2023, June 13). ACS NANO, Vol. 6.

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.

A Comparison between the Lower Critical Solution Temperature Behavior of Polymers and Biomacromolecules

Physchem.

All-Atom Simulation Method for Zeeman Alignment and DipolarAssembly of Magnetic Nanoparticles br

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 18(5), 3122–3135.

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.

Gold nanoparticle design for RNA compaction

BIOINTERPHASES, 17(6).

Mapping the Morphological Landscape of Oligomeric Di-block Peptide-Polymer Amphiphiles**

Allen, B. P., Wright, Z. M., Taylor, H. F., Oweida, T. J., Kader-Pinky, S., Patteson, E. F., … Knight, A. S. (2022, January 27). ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol. 1.

Mapping the Morphological Landscape of Oligomeric Di‐block Peptide–Polymer Amphiphiles**

Angewandte Chemie.

Assessment of AMBER Force Fields for Simulations of ssDNA

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 17(2), 1208–1217.

Controlled Organization of Inorganic Materials Using Biological Molecules for Activating Therapeutic Functionalities

ACS APPLIED MATERIALS & INTERFACES, 13(33), 39030–39041.

Insights into Structure and Aggregation Behavior of Elastin-like Polypeptide Coacervates: All-Atom Molecular Dynamics Simulations

JOURNAL OF PHYSICAL CHEMISTRY B, 125(30), 8627–8635.

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).

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.

Weakly Ionically Bound Thermosensitive Hyperbranched Polymers

LANGMUIR, 37(9), 2913–2927.

Anisotropic Optical and Frictional Properties of Langmuir-Blodgett Film Consisting of Uniaxially-Aligned Rod-Shaped Cellulose Nanocrystals

ADVANCED MATERIALS INTERFACES, 7(9).

Co-assembling Polysaccharide Nanocrystals and Nanofibers for Robust Chiral Iridescent Films

ACS Applied Materials & Interfaces, 12(31), 35345–35353.

Effect of Octadecylamine Surfactant on DNA Interactions with Graphene Surfaces

Langmuir, 36(4), 931–938.

In silico structure prediction of full-length cotton cellulose synthase protein (GhCESA1) and its hierarchical complexes

Cellulose, 27(10), 5597–5616.

Materials matter in phosphorus sustainability

Jones, J. L., Yingling, Y. G., Reaney, I. M., & Westerhoff, P. (2020, January). MRS BULLETIN, Vol. 45, pp. 7–10.

Merging Materials and Data Science: Opportunities, Challenges, and Education in Materials Informatics

MRS Advances, 3, 1–18.

Partially Fluorinated Copolymers as Oxygen Sensitive(19)F MRI Agents

CHEMISTRY-A EUROPEAN JOURNAL, 26(44), 9982–9990.

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.

Biochemical and physiological flexibility accompanies reduced cellulose biosynthesis in Brachypodium cesa1S830N

AoB PLANTS, 11(5).

Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution

In E. Maginn & J. Errington (Eds.), Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS 2018 (pp. 75–100).

High-Performance Chromatographic Characterization of Surface Chemical Heterogeneities of Fluorescent Organic–Inorganic Hybrid Core–Shell Silica Nanoparticles

ACS Nano, 13(2), 1795–1804.

Intrinsically disordered proteins access a range of hysteretic phase separation behaviors

Science Advances, 5(10), eaax5177.

Simulations of Cellulose Synthesis Initiation and Termination in Bacteria

The Journal of Physical Chemistry B, 123(17), 3699–3705.

Bathophenanthroline Disulfonate Ligand-Induced Self-Assembly of Ir(III) Complexes in Water: An Intriguing Class of Photoluminescent Soft Materials

ACS Omega, 3(10), 14027–14038.

Cellulose synthase "class specific regions' are intrinsically disordered and functionally undifferentiated

JOURNAL OF INTEGRATIVE PLANT BIOLOGY, 60(6), 481–497.

Design of Histone-Mimic Nanoparticles for DNA and RNA Compaction using Molecular Modeling

Biophysical Journal, 114(3), 362a.

Enzymatic Synthesis of Nucleobase-Modified Single-Stranded DNA Offers Tunable Resistance to Nuclease Degradation

Biomacromolecules, 19(8), 3525–3535.

Progress in ligand design for monolayer-protected nanoparticles for nanobio interfaces

Biointerphases, 13(6), 06D502.

Sequence Directionality Dramatically Affects LCST Behavior of Elastin-Like Polypeptides

Biomacromolecules, 19(7), 2496–2505.

Soft Matter Informatics: Current Progress and Challenges

Advanced Theory and Simulations, 2(1), 1800129.

Wrapping Nanocellulose Nets around Graphene Oxide Sheets

Angewandte Chemie International Edition, 57(28), 8508–8513.

Advances in Molecular Modeling of Nanoparticle Nucleic Acid Interfaces

[Review of ]. BIOCONJUGATE CHEMISTRY, 28(1), 3–10.

Effect of C 60 adducts on the dynamic structure of aromatic solvation shells

Chemical Physics Letters, 678, 79–84.

Effect of Graphene Oxidation Rate on Adsorption of Poly-Thymine Single Stranded DNA

Advanced Materials Interfaces, 4(8), 1601168.

Functional Modification of Silica through Enhanced Adsorption of Elastin-Like Polypeptide Block Copolymers

Biomacromolecules, 19(2), 298–306.

Interfacial Mechanical Properties of Graphene on Self-Assembled Monolayers: Experiments and Simulations

ACS Applied Materials & Interfaces, 9(11), 10203–10213.

Interfacial stability of graphene-based surfaces in water and organic solvents

Journal of Materials Science, 53(8), 5766–5776.

Macromol. Rapid Commun. 20/2017

Macromolecular Rapid Communications, 38(20).

Physisorption: Effect of Graphene Oxidation Rate on Adsorption of Poly-Thymine Single Stranded DNA (Adv. Mater. Interfaces 8/2017)

Advanced Materials Interfaces, 4(8).

Salt Responsive Morphologies of ssDNA-Based Triblock Polyelectrolytes in Semi-Dilute Regime: Effect of Volume Fractions and Polyelectrolyte Length

Macromolecular Rapid Communications, 38(20), 1700422.

Template-Guided Assembly of Silk Fibroin on Cellulose Nanofibers for Robust Nanostructures with Ultrafast Water Transport

ACS Nano, 11(12), 12008–12019.

A Barley Efflux Transporter Operates in a Na+-Dependent Manner, as Revealed by a Multidisciplinary Platform

Plant Cell, 28(1), 202–218.

Binding of single stranded nucleic acids to cationic ligand functionalized gold nanoparticles

BIOINTERPHASES, 11(4).

Bionanocomposites: Silk Fibroin-Substrate Interactions at Heterogeneous Nanocomposite Interfaces (Adv. Funct. Mater. 35/2016)

Advanced Functional Materials, 26(35), 6496–6496.

Comparative Structural and Computational Analysis Supports Eighteen Cellulose Synthases in the Plant Cellulose Synthesis Complex

Scientific Reports, 6(1).

Design of Potent and Controllable Anticoagulants Using DNA Aptamers and Nanostructures

MOLECULES, 21(2).

Emulsion-Based RIR-MAPLE Deposition of Conjugated Polymers: Primary Solvent Effect and Its Implications on Organic Solar Cell Performance

ACS APPLIED MATERIALS & INTERFACES, 8(30), 19494–19506.

Fluorescence Blinking as an Output Signal for Biosensing

ACS Sensors, 1(11), 1295–1300.

LCST Behavior is Manifested in a Single Molecule: Elastin-Like polypeptide (VPGVG)n

BIOMACROMOLECULES, 17(1), 111–118.

Molecular Dynamics Simulations of Nano-biomaterials

Encyclopedia of Nanotechnology, pp. 2260–2269.

Prediction of the structures of the plant-specific regions of vascular plant cellulose synthases and correlated functional analysis

Cellulose, 23(1), 145–161.

Sequence dependent interaction of single stranded DNA with graphitic flakes: atomistic molecular dynamics simulations

MRS Advances, 1(25), 1883–1889.

Silk Fibroin-Substrate Interactions at Heterogeneous Nanocomposite Interfaces

ADVANCED FUNCTIONAL MATERIALS, 26(35), 6380–6392.

The effect of imidazolium cations on the structure and activity of the Candida antarctica Lipase B enzyme in ionic liquids

Physical Chemistry Chemical Physics, 18(32), 22062–22069.

When in silico meets in vitro: Molecular basis of function of an anion-permeable efflux transporter from barley (Hordeum vulgare L.)

Abstracts of Papers of the American Chemical Society. https://publons.com/publon/382040/

An Implicit Solvent Ionic Strength (ISIS) Method to Model Polyelectrolyte Systems with Dissipative Particle Dynamics

MACROMOLECULAR THEORY AND SIMULATIONS, 24(1), 7–12.

CELLULOSE SYNTHASE INTERACTIVE1 Is Required for Fast Recycling of Cellulose Synthase Complexes to the Plasma Membrane in Arabidopsis

The Plant Cell, 27(10), tpc.15.00442.

Characterization of Nucleic Acid Compaction with Histone-Mimic Nanoparticles through All-Atom Molecular Dynamics

ACS NANO, 9(12), 12374–12382.

Cover Picture: Macromol. Theory Simul. 1∕2015

Macromolecular Theory and Simulations, 24(1), 1–1.

Effect of NP shape and ligand flexibility in the design of nucleic acid wrapping NPs

Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057470/

Effect of surface polarity on physisorption of biomolecules: Molecular modeling

Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057471/

Fullerenes in Aromatic Solvents: Correlation between Solvation-Shell Structure, Solvate Formation, and Solubility

JOURNAL OF PHYSICAL CHEMISTRY B, 119(49), 15344–15352.

Gold nanoparticle-nucleic acid modeling using GPU-accelerated molecular dynamics

Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057466/

How Cellulose Elongates-A QM/MM Study of the Molecular Mechanism of Cellulose Polymerization in Bacterial CESA

JOURNAL OF PHYSICAL CHEMISTRY B, 119(22), 6525–6535.

Microtubules and cellulose biosynthesis: the emergence of new players

[Review of ]. CURRENT OPINION IN PLANT BIOLOGY, 28, 76–82.

Molecular description of LCST behavior of elastin-like peptides poly(VPGVG) and poly(VGPVG)

Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057468/

Morphological and rheological properties of aqueous micellar network of polyelectrolyte block copolymers

Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057469/

Prediction of solvent-induced morphological changes of polyelectrolyte diblock copolymer micelles

SOFT MATTER, 11(42), 8236–8245.

Simulations of the self-assembly of polyelectrolyte block copolymers using dissipative particle dynamics with an implicit solvent ionic strength (ISIS) method

Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057467/

Cellulose synthases: new insights from crystallography and modeling

Trends in Plant Science, 19(2), 99–106.

Computational and genetic evidence that different structural conformations of a non-catalytic region affect the function of plant cellulose synthase

Journal of Experimental Botany, 65(22), 6645–6653.

Enzymatic Polymerization of High Molecular Weight DNA Amphiphiles That Self-Assemble into Star-Like Micelles

ADVANCED MATERIALS, 26(19), 3050–3054.

Molecular Description of the LCST Behavior of an Elastin-Like Polypeptide

BIOMACROMOLECULES, 15(10), 3522–3530.

Persistence Length of Single Stranded DNA: Effect of Length, Sequence and Surface

Biophysical Journal.

Progress in molecular modelling of DNA materials

MOLECULAR SIMULATION, 40(10-11), 777–783.

The relationship between enhanced enzyme activity and structural dynamics in ionic liquids: a combined computational and experimental study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(7), 2944–2953.

Correlating fullerene diffusion with the polythiophene morphology: molecular dynamics simulations

SOFT MATTER, 9(42), 10048–10055.