Yaroslava Yingling

Professor

University Faculty Scholar
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Yaroslava G. Yingling is Professor of Materials Science and Engineering at North Carolina State University.  She received her University Diploma in Computer Science and Engineering from St. Petersburg State Technical University of Russia and her PhD in Materials Engineering and High Performance Computing from the Pennsylvania State University in 2002. She carried out postdoctoral research at Penn State University Chemistry Department and at the National Institutes of Health National Cancer Institute prior to joining North Carolina State University in 2007. She serves as a Editor-in-Chief for AIMS Materials Science journal, as an Associate Editor at RNA and DNA Nanotechnology and on the Editorial Advisory Boards of ACS Biomaterials Science and Engineering.  She received the National Science Foundation CAREER award, American Chemical Society Open Eye Young Investigator Award and was named a NCState University Faculty Scholar.

Education

Ph.D. 2002

Materials Engineering and High Performance Computing Applications

Pennsylvania State University

B.S. (University Diploma) 1996

Computer Science and Engineering

St. Petersburg State Polytechnic University, Russia

Research Description

Research interests in Prof. Yingling’s group are focused on the development of advanced computational models and novel algorithms for multiscale molecular modeling of soft and biological materials and aim to provide a fundamental understanding of the structure-property relations of a variety of soft materials systems that are formed through the process of self-assembly.  Specifically, Dr. Yingling's research interests include multiscale molecular modeling and computer simulations of soft materials: polymers, biomolecules, nanoparticles, organic-inorganic composites; design and properties of nanomaterials; inorganic-organic interfaces and surfaces; biomolecular 3D structure prediction; effect of solvents and additives on materials properties; interactions between nanoparticles and bio and polymeric materials.

Honors and Awards

  • University Faculty Scholar, North Carolina State University, 2014
  • OpenEye Outstanding Junior Faculty Award from the ACS Computers in Chemistry (COMP) Division, 2012
  • National Science Foundation CAREER Award, 2012
  • NIH National Cancer Institute Center for Cancer Research exceptional stipend, 2007
  • Best Ph.D. Thesis Award from the Materials Research Institute at Pennsylvania State University, 2003
  • Braucher Fellowship for Graduate Student Research , 2002
  • Miller Graduate Student Research Award , 2001

Publications

Bathophenanthroline Disulfonate Ligand-Induced Self-Assembly of Ir(III) Complexes in Water: An Intriguing Class of Photoluminescent Soft Materials
McGoorty, M. M., Singh, A., Deaton, T. A., Peterson, B., Taliaferro, C. M., Yingling, Y. G., & Castellano, F. N. (2018), ACS OMEGA, 3(10), 14027–14038. https://doi.org/10.1021/acsomega.8b02034
Cellulose synthase "class specific regions' are intrinsically disordered and functionally undifferentiated
Scavuzzo-Duggan, T. R., Chaves, A. M., Singh, A., Sethaphong, L., Slabaugh, E., Yingling, Y. G., … Roberts, A. W. (2018). Cellulose synthase "class specific regions’ are intrinsically disordered and functionally undifferentiated. Journal of Integrative Plant Biology, 60(6), 481–497. https://doi.org/10.1111/jipb.12637,
Functional modification of silica through enhanced adsorption of elastin-like polypeptide block copolymers
Li, L. Y., Li, N. K., Tu, Q., Im, O., Mo, C. K., Han, W., … Lopez, G. P. (2018), Biomacromolecules, 19(2), 298–306.
Interfacial stability of graphene-based surfaces in water and organic solvents
Kim, H., Oweida, T. J., & Yingling, Y. G. (2018), Journal of Materials Science, 53(8), 5766–5776.
Progress in ligand design for monolayer-protected nanoparticles for nanobio interfaces
Manning, M. D., Kwansa, A. L., Oweida, T., Peerless, J. S., Singh, A., & Yingling, Y. G. (2018), BIOINTERPHASES, 13(6). https://doi.org/10.1116/1.5044381
Sequence directionality dramatically affects lcst behavior of elastin-like polypeptides
Li, N. K., Roberts, S., Quiroz, F. G., Chilkoti, A., & Yingling, Y. G. (2018), Biomacromolecules, 19(7), 2496–2505.
Wrapping nanocellulose nets around graphene oxide sheets
Xiong, R., Kim, H. S., Zhang, L. J., Korolovych, V. F., Zhang, S. D., Yingling, Y. G., & Tsukruk, V. V. (2018), Angewandte Chemie [International Edition in English], 57(28), 8508–8513.
Advances in molecular modeling of nanoparticle nucleic acid interfaces
Nash, J. A., Kwansa, A. L., Peerless, J. S., Kim, H. S., & Yingling, Y. G. (2017), Bioconjugate Chemistry, 28(1), 3–10.
Effect of graphene oxidation rate on adsorption of poly-thymine single stranded DNA
Kim, H. S., Farmer, B. L., & Yingling, Y. G. (2017), Advanced Materials Interfaces, 4(8).
Interfacial mechanical properties of graphene on self-assembled monolayers: Experiments and simulations
Tu, Q., Kim, H. S., Oweida, T. J., Parlak, Z., Yingling, Y. G., & Zauscher, S. (2017), ACS Applied Materials & Interfaces, 9(11), 10203–10213.
Salt responsive morphologies of ssDNA-based triblock polyelectrolytes in semi-dilute regime: Effect of volume fractions and polyelectrolyte length
Li, N. K., Kuang, H., Fuss, W. H., Zauscher, S., Kokkoli, E., & Yingling, Y. G. (2017), Macromolecular Rapid Communications, 38(20).
Template-guided assembly of silk fibroin on cellulose nanofibers for robust nanostructures with ultrafast water transport
Xiong, R., Kim, H. S., Zhang, S. D., Kim, S., Korolovych, V. F., Ma, R. L., … Tsukruk, V. V. (2017), ACS Nano, 11(12), 12008–12019.
Binding of single stranded nucleic acids to cationic ligand functionalized gold nanoparticles
Nash, J. A., Tucker, T. L., Therriault, W., & Yingling, Y. G. (2016), Biointerphases, 11(4).
Comparative structural and computational analysis supports eighteen cellulose synthases in the plant cellulose synthesis complex
Nixon, B. T., Mansouri, K., Singh, A., Du, J., Davis, J. K., Lee, J. G., … Haigler, C. H. (2016), Scientific Reports, 6. https://doi.org/10.1038/srep28696
Design of potent and controllable anticoagulants using dna aptamers and nanostructures
Rangnekar, A., Nash, J. A., Goodfred, B., Yingling, Y. G., & LaBean, T. H. (2016), Molecules, 21(2).
Emulsion-based RIR-MAPLE deposition of conjugated polymers: Primary solvent effect and its implications on organic solar cell performance
Ge, W. Y., Li, N. K., McCormick, R. D., Lichtenberg, E., Yingling, Y. G., & Stiff-Roberts, A. D. (2016), ACS Applied Materials & Interfaces, 8(30), 19494–19506.
Fluorescence blinking as an output signal for biosensing
Roark, B., Tan, J. A., Ivanina, A., Chandler, M., Castaneda, J., Kim, H. S., … Afonin, K. A. (2016), ACS Sensors, 1(11), 1295–1300.
LCST behavior is manifested in a single molecule: Elastin-like polypeptide (VPGVG)n
Zhao, B. W., Li, N. K., Yingling, Y. G., & Hall, C. K. (2016), Biomacromolecules, 17(1), 111–118.
Prediction of the structures of the plant-specific regions of vascular plant cellulose synthases and correlated functional analysis
Sethaphong, L., Davis, J. K., Slabaugh, E., Singh, A., Haigler, C. H., & Yingling, Y. G. (2016), Cellulose, 23(1), 145–161. https://doi.org/10.1007/s10570-015-0789-6
Sequence dependent interaction of single stranded DNA with graphitic flakes: Atomis molecular dynamics simulations
Kim, H. S., Huang, S. M., & Yingling, Y. C. (2016), MRS Advances, 1(25), 1883–1889.
Silk fibroin-substrate interactions at heterogeneous nanocomposite interfaces
Grant, A. M., Kim, H. S., Dupnock, T. L., Hu, K., Yingling, Y. G., & Tsukruk, V. V. (2016), Advanced Functional Materials, 26(35), 6380–6392.
A barley efflux transporter operates in a Na+-dependent manner, as revealed by a multidisciplinary platform
Nagarajan, Y., Rongala, J., Luang, S., Singh, A., Shadiac, N., Hayes, J., … Hrmovaa, M. (2016), Plant Cell, 28(1), 202–218.
The effect of imidazolium cations on the structure and activity of the Candida antarctica Lipase B enzyme in ionic liquids
Kim, H. S., Eom, D., Koo, Y. M., & Yingling, Y. G. (2016), Physical Chemistry Chemical Physics, 18(32), 22062–22069.
CELLULOSE SYNTHASE INTERACTIVE1 is required for fast recycling of cellulose synthase complexes to the plasma membrane in arabidopsis
Lei, L., Singh, A., Bashline, L., Li, S. D., Yingling, Y. G., & Gu, Y. (2015), Plant Cell, 27(10), 2926–2940.
Characterization of nucleic acid compaction with histone-mimic nanoparticles through all-atom molecular dynamics
Nash, J. A., Singh, A., Li, N. K., & Yingling, Y. G. (2015), ACS Nano, 9(12), 12374–12382.
Fullerenes in aromatic solvents: correlation between solvation-shell structure, solvate formation, and solubility
Peerless, J. S., Bowers, G. H., Kwansa, A. L., & Yingling, Y. G. (2015), Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(49), 15344–15352.
How cellulose elongates-A QM/MM study of the molecular mechanism of cellulose polymerization in bacterial CESA
Yang, H., Zimmer, J., Yingling, Y. G., & Kubicki, J. D. (2015), Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(22), 6525–6535.
Microtubules and cellulose biosynthesis: The emergence of new players
Li, S. D., Lei, L., Yingling, Y. G., & Gu, Y. (2015), Current Opinion in Plant Biology, 28, 76–82.
Prediction of solvent-induced morphological changes of polyelectrolyte diblock copolymer micelles
Li, N. K., Fuss, W. H., Tang, L., Gu, R. P., Chilkoti, A., Zauscher, S., & Yingling, Y. G. (2015), Soft Matter, 11(42), 8236–8245.
An Implicit solvent ionic strength (ISIS) method to model polyelectrolyte systems with dissipative particle dynamics
Li, N. K., Fuss, W. H., & Yingling, Y. G. (2015), Macromolecular Theory and Simulations, 24(1), 7–12.
Cellulose synthases: new insights from crystallography and modeling
Slabaugh, E., Davis, J. K., Haigler, C. H., Yingling, Y. G., & Zimmer, J. (2014), Trends in Plant Science, 19(2), 99–106. https://doi.org/10.1016/j.tplants.2013.09.009
Computational and genetic evidence that different structural conformations of a non-catalytic region affect the function of plant cellulose synthase
Slabaugh, E., Sethaphong, L., Xiao, C. W., Amick, J., Anderson, C. T., Haigler, C. H., & Yingling, Y. G. (2014), Journal of Experimental Botany, 65(22), 6645–6653. https://doi.org/10.1093/jxb/eru383
Enzymatic polymerization of high molecular weight DNA amphiphiles that self-assemble into star-like micelles
Tang, L., Tjong, V., Li, N., Yingling, Y. G., Chilkoti, A., & Zauscher, S. (2014), Advanced Materials, 26(19), 3050–3054.
Molecular description of the LCST behavior of an elastin-like polypeptide
Li, N. K., Quiroz, F. G., Hall, C. K., Chilkoti, A., & Yingling, Y. G. (2014), Biomacromolecules, 15(10), 3522–3530.
Progress in molecular modelling of DNA materials
Li, N. K., Kim, H. S., Nash, J. A., Lim, M., & Yingling, Y. G. (2014), 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
Kim, H. S., Ha, S. H., Sethaphong, L., Koo, Y. M., & Yingling, Y. G. (2014), Physical Chemistry Chemical Physics, 16(7), 2944–2953.
Correlating fullerene diffusion with the polythiophene morphology: Molecular dynamics simulations
Pani, R. C., Bond, B. D., Krishnan, G., & Yingling, Y. G. (2013), Soft Matter, 9(42), 10048–10055.
Tertiary model of a plant cellulose synthase
Sethaphong, L., Haigler, C. H., Kubicki, J. D., Zimmer, J., Bonetta, D., DeBolt, S., & Yingling, Y. G. (2013), Proceedings of the National Academy of Sciences of the United States of America, 110(18), 7512–7517. https://doi.org/10.1073/pnas.1301027110
X3DBio2: A visual analysis tool for biomolecular structure comparison
Yi, H., Thakur, S., Sethaphong, L., & Yingling, Y. G. (2013), Proceedings of SPIE-the International Society for Optical Engineering, 8654, 86540W.
Role of solvent and dendritic architecture on the redox core encapsulation
Pani, R. C., & Yingling, Y. G. (2012), Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, 116(28), 7593–7599.
Weakly charged cationic nanoparticles induce DNA bending and strand separation
Railsback, J. G., Singh, A., Pearce, R. C., McKnight, T. E., Collazo, R., Sitar, Z., … Melechko, A. V. (2012), Advanced Materials, 24(31), 4261–.
X3DBio1: a visual analysis tool for biomolecular structure exploration
Yi, H., Singh, A., & Yingling, Y. G. (2012), Proceedings of SPIE-the International Society for Optical Engineering, 8294, 8294OS.
The effect of point mutations on structure and mechanical properties of collagen-like fibril: A molecular dynamics study
Marlowe, A. E., Singh, A., & Yingling, Y. G. (2012), Materials Science & Engineering. C, Biomimetic Materials, Sensors and Systems, 32(8), 2583–2588.
The role of hydrogen bonding in water-mediated glucose solubility in ionic liquids
Kim, H. S., Pani, R., Ha, S. H., Koo, Y. M., & Yingling, Y. G. (2012), Journal of Molecular Liquids, 166, 25–30.
Interactions of cations with RNA loop-loop complexes
Singh, A., Sethaphong, L., & Yingling, Y. G. (2011), Biophysical Journal, 101(3), 727–735.
Theoretical perspective on properties of DNA-functionalized surfaces
Singh, A., Eksiri, H., & Yingling, Y. G. (2011), Journal of Polymer Science. Part B, Polymer Physics, 49(22), 1563–1568.
Effect of oligonucleotide length on the assembly of DNA materials: Molecular dynamics simulations of layer-by-layer DNA films
Singh, A., Snyder, S., Lee, L., Johnston, A. P. R., Caruso, F., & Yingling, Y. G. (2010), Langmuir, 26(22), 17339–17347.
The Sequence of HIV-1 TAR RNA helix controls cationic distribution
Sethaphong, L., Singh, A., Marlowe, A. E., & Yingling, Y. G. (2010), Journal of Physical Chemistry. C, 114(12), 5506–5512.

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Grants

NextGen Fellowship – Accelerating Materials Science and Educating the​ ​Next​ Generation​ ​of​ ​Scientists​ ​and​ Engineers
Schmidt Family Foundation(5/01/18 - 9/30/18)
Heteroaggregation for Nanomanufacturing and Magnetic Alignment of Multifunctional Nanoparticles
National Science Foundation (NSF)(6/01/18 - 5/31/21)
Collaborative Research: Design Principles for Multi-functional Polymer Dispersion Blends
National Science Foundation (NSF)(8/01/17 - 7/31/20)
Composite Packed-Bed Nanofiltration for High-throughput Desalination
NCSU Water Resources Research Institute(9/01/16 - 8/31/17)
EMN-14-S-S-05 Modeling of Diffusion of Additive Compounds in Rubber
Eastman Chemical Company(11/30/-1 - 10/31/17)
Wetting of Patterned Silicon Surfaces
Eastman Chemical Company(1/01/14 - 8/01/14)
Center For Lignocellulose Structure and Formation
US Dept. of Energy (DOE)(8/01/14 - 7/31/19)
Confinement, Dynamics, and Orientation of DNA at Nano-interfaces
National Science Foundation (NSF)(7/01/14 - 6/30/18)
Collaborative Research: Supramolecular Materials by Nucleic Acid Block Copolymer Self-Assembly
National Science Foundation (NSF)(7/15/14 - 6/30/18)
Modeling Lipase Variants
Eastman Chemical Company(11/01/13 - 12/01/15)