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Research Output 2002 2019

  • 1030 Citations
  • 15 h-Index
  • 34 Article
  • 1 Conference contribution
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Article
2019
4 Citations (Scopus)

Palmitoylation of Claudin-5 Proteins Influences Their Lipid Domain Affinity and Tight Junction Assembly at the Blood-Brain Barrier Interface

Rajagopal, N., Irudayanathan, F. J. & Nangia, S., Feb 7 2019, In : Journal of Physical Chemistry B. 123, 5, p. 983-993 11 p.

Research output: Contribution to journalArticle

Claudin-5
blood-brain barrier
Lipids
affinity
lipids
3 Citations (Scopus)

The ghrelin O-acyltransferase structure reveals a catalytic channel for transmembrane hormone acylation

Campaña, M. B., Irudayanathan, F. J., Davis, T. R., McGovern-Gooch, K. R., Loftus, R., Ashkar, M., Escoffery, N., Navarro, M., Sieburg, M. A., Nangia, S. & Hougland, J. L., Jan 1 2019, In : Journal of Biological Chemistry. 294, 39, p. 14166-14174 9 p.

Research output: Contribution to journalArticle

Cytology
Acyltransferases
Acylation
Ghrelin
Hormones

The Influence of Water on Choline-Based Ionic Liquids

Tanner, E. E. L., Piston, K. M., Ma, H., Ibsen, K. N., Nangia, S. & Mitragotri, S., Jul 8 2019, In : ACS Biomaterials Science and Engineering. 5, 7, p. 3645-3653 9 p.

Research output: Contribution to journalArticle

Ionic Liquids
Choline
Ionic liquids
Acids
Water
2018
2 Citations (Scopus)
matrix theory
sampling
Semiconductor materials
Sampling
Nanoparticles
7 Citations (Scopus)

Dynamics of OmpF Trimer Formation in the Bacterial Outer Membrane of Escherichia coli

Ma, H., Khan, A. & Nangia, S., May 15 2018, In : Langmuir. 34, 19, p. 5623-5634 12 p.

Research output: Contribution to journalArticle

Escherichia
trimers
Dimers
Escherichia coli
membranes
15 Citations (Scopus)

Mechanism of Antibacterial Activity of Choline-Based Ionic Liquids (CAGE)

Ibsen, K. N., Ma, H., Banerjee, A., Tanner, E. E. L., Nangia, S. & Mitragotri, S., Jul 9 2018, In : ACS Biomaterials Science and Engineering. 4, 7, p. 2370-2379 10 p.

Research output: Contribution to journalArticle

Ionic Liquids
Choline
Ionic liquids
Escherichia coli
Antimicrobial agents
6 Citations (Scopus)

Self-Assembly Simulations of Classic Claudins-insights into the Pore Structure, Selectivity and Higher Order Complexes

Irudayanathan, F. J., Wang, X., Wang, N., Willsey, S. R., Seddon, I. A. & Nangia, S., Apr 24 2018, (Accepted/In press) In : Journal of Physical Chemistry B.

Research output: Contribution to journalArticle

Claudins
Pore structure
Dimers
Self assembly
self assembly
2017
15 Citations (Scopus)

Architecture of the paracellular channels formed by claudins of the blood-brain barrier tight junctions

Irudayanathan, F. J., Wang, N., Wang, X. & Nangia, S., 2017, (Accepted/In press) In : Annals of the New York Academy of Sciences.

Research output: Contribution to journalArticle

Claudins
Tight Junctions
Blood-Brain Barrier
Molecular Dynamics Simulation
Claudin-3
11 Citations (Scopus)

Modeling Diversity in Structures of Bacterial Outer Membrane Lipids

Ma, H., Cummins, D. D., Edelstein, N. B., Gomez, J., Khan, A., Llewellyn, M. D., Picudella, T., Willsey, S. R. & Nangia, S., Feb 14 2017, In : Journal of Chemical Theory and Computation. 13, 2, p. 811-824 14 p.

Research output: Contribution to journalArticle

Lipid A
Membrane Lipids
Lipids
lipids
membranes
2016
8 Citations (Scopus)

Combinatorial approaches to evaluate nanodiamond uptake and induced cellular fate

Eldawud, R., Reitzig, M., Opitz, J., Rojansakul, Y., Jiang, W., Nangia, S. & Dinu, C. Z., Jan 28 2016, In : Nanotechnology. 27, 8, 085107.

Research output: Contribution to journalArticle

Nanodiamonds
Membranes
Biocompatibility
Cell membranes
Nanostructured materials
7 Citations (Scopus)

Drug-Specific Design of Telodendrimer Architecture for Effective Doxorubicin Encapsulation

Jiang, W., Wang, X., Guo, D., Luo, J. & Nangia, S., Sep 15 2016, In : Journal of Physical Chemistry B. 120, 36, p. 9766-9777 12 p.

Research output: Contribution to journalArticle

Encapsulation
Doxorubicin
drugs
Pharmaceutical Preparations
Paclitaxel
19 Citations (Scopus)

Molecular Architecture of the Blood Brain Barrier Tight Junction Proteins-A Synergistic Computational and in Vitro Approach

Irudayanathan, F. J., Trasatti, J. P., Karande, P. & Nangia, S., Jan 14 2016, In : Journal of Physical Chemistry B. 120, 1, p. 77-88 12 p.

Research output: Contribution to journalArticle

Claudin-5
blood-brain barrier
Tight Junction Proteins
Staphylococcal Protein A
Dimers
2015
21 Citations (Scopus)

Multiscale approach to investigate self-assembly of telodendrimer based nanocarriers for anticancer drug delivery

Jiang, W., Luo, J. & Nangia, S., Apr 14 2015, In : Langmuir. 31, 14, p. 4270-4280 11 p.

Research output: Contribution to journalArticle

Drug delivery
Self assembly
self assembly
delivery
drugs
4 Citations (Scopus)

Signaling factor interactions with polysaccharide aggregates of bacterial biofilms

Desalvo, S. C., Liu, Y., Choudhary, G. S., Ren, D., Nangia, S. & Sureshkumar, R., Feb 17 2015, In : Langmuir. 31, 6, p. 1958-1966 9 p.

Research output: Contribution to journalArticle

biofilms
polysaccharides
Biofilms
Polysaccharides
interactions
32 Citations (Scopus)

Simulating Gram-Negative Bacterial Outer Membrane: A Coarse Grain Model

Ma, H., Irudayanathan, F. J., Jiang, W. & Nangia, S., Nov 19 2015, In : Journal of Physical Chemistry B. 119, 46, p. 14668-14682 15 p.

Research output: Contribution to journalArticle

membranes
Membranes
Lipopolysaccharides
field theory (physics)
O Antigens
2014
10 Citations (Scopus)

A structure-property relationship study of the well-defined telodendrimers to improve hemocompatibility of nanocarriers for anticancer drug delivery

Shi, C., Yuan, D., Nangia, S., Xu, G., Lam, K. S. & Luo, J., Jun 17 2014, In : Langmuir. 30, 23, p. 6878-6888 11 p.

Research output: Contribution to journalArticle

glycerols
Drug delivery
Glycerol
Cholic Acid
delivery
10 Citations (Scopus)

Optical signature of formation of protein corona in the firefly luciferase-CdSe quantum dot complex

Elward, J. M., Irudayanathan, F. J., Nangia, S. & Chakraborty, A., Dec 9 2014, In : Journal of Chemical Theory and Computation. 10, 12, p. 5224-5228 5 p.

Research output: Contribution to journalArticle

fireflies
Firefly Luciferases
coronas
Semiconductor quantum dots
quantum dots
2012
100 Citations (Scopus)

Effects of nanoparticle charge and shape anisotropy on translocation through cell membranes

Nangia, S. & Sureshkumar, R., Dec 21 2012, In : Langmuir. 28, 51, p. 17666-17671 6 p.

Research output: Contribution to journalArticle

Cell membranes
Anisotropy
Nanoparticles
nanoparticles
anisotropy
2010
7 Citations (Scopus)

Role of intrasurface hydrogen bonding on silica dissolution

Nangia, S. & Garrison, B. J., Feb 11 2010, In : Journal of Physical Chemistry C. 114, 5, p. 2267-2272 6 p.

Research output: Contribution to journalArticle

Silicon Dioxide
Hydrogen bonds
dissolving
Dissolution
Silica
11 Citations (Scopus)

Theoretical advances in the dissolution studies of mineral-water interfaces

Nangia, S. & Garrison, B. J., 2010, In : Theoretical Chemistry Accounts. 127, 4, p. 271-284 14 p.

Research output: Contribution to journalArticle

Mineral Waters
Silicates
dissolving
Dissolution
minerals
2009
34 Citations (Scopus)

Ab initio investigation of dissolution mechanisms in aluminosilicate minerals

Morrow, C. P., Nangia, S. & Garrison, B. J., Feb 19 2009, In : Journal of Physical Chemistry A. 113, 7, p. 1343-1352 10 p.

Research output: Contribution to journalArticle

Minerals
dissolving
Dissolution
minerals
Protonation
25 Citations (Scopus)

Ab initio study of dissolution and precipitation reactions from the edge, kink, and terrace sites of quartz as a function of pH

Nangia, S. & Garrison, B. J., Jan 2009, In : Molecular Physics. 107, 8-12, p. 831-843 13 p.

Research output: Contribution to journalArticle

Quartz
Minerals
dissolving
Dissolution
Hydrolysis
18 Citations (Scopus)

Advanced Monte Carlo approach to study evolution of quartz surface during the dissolution process

Nangia, S. & Garrison, B. J., Jul 15 2009, In : Journal of the American Chemical Society. 131, 27, p. 9538-9546 9 p.

Research output: Contribution to journalArticle

Quartz
Dissolution
Catalytic Domain
Hydrolysis
Mineral Waters
2008
69 Citations (Scopus)

Reaction rates and dissolution mechanisms of quartz as a function of pH

Nangia, S. & Garrison, B. J., Mar 13 2008, In : Journal of Physical Chemistry A. 112, 10, p. 2027-2033 7 p.

Research output: Contribution to journalArticle

Quartz
Reaction rates
dissolving
Dissolution
reaction kinetics
2007
25 Citations (Scopus)

Study of a family of 40 hydroxylated β-cristobalite surfaces using empirical potential energy functions

Nangia, S., Washton, N. M., Mueller, K. T., Kubicki, J. D. & Garrison, B. J., Apr 5 2007, In : Journal of Physical Chemistry C. 111, 13, p. 5169-5177 9 p.

Research output: Contribution to journalArticle

Potential energy functions
Silicon Dioxide
potential energy
Silicon
Hydrogen bonds
2006
6 Citations (Scopus)

A new form of MgTa 2O 6 obtained by the molten salt method

Ganguli, A. K., Nangia, S., Thirumal, M. & Gai, P. L., Jan 2006, In : Journal of Chemical Sciences. 118, 1, p. 37-42 6 p.

Research output: Contribution to journalArticle

Molten materials
Permittivity
Salts
Dielectric losses
High resolution transmission electron microscopy
55 Citations (Scopus)
Potential energy surfaces
Ammonia
intersections
ammonia
potential energy
132 Citations (Scopus)

Non-born-oppenheimer molecular dynamics

Jasper, A. W., Nangia, S., Zhu, C. & Truhlar, D. G., Feb 2006, In : Accounts of Chemical Research. 39, 2, p. 101-108 8 p.

Research output: Contribution to journalArticle

Molecular dynamics
Electronic states
Trajectories
Photodissociation
Potential energy surfaces
2005
13 Citations (Scopus)
Photodissociation
Ammonia
Excited states
photodissociation
intersections
2004
44 Citations (Scopus)

Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method

Nangia, S., Jasper, A. W., Miller, T. F. & Truhlar, D. G., Feb 22 2004, In : The Journal of Chemical Physics. 120, 8, p. 3586-3597 12 p.

Research output: Contribution to journalArticle

sampling
Trajectories
trajectories
Sampling
algae
176 Citations (Scopus)

Coherent switching with decay of mixing: An improved treatment of electronic coherence for non-born-oppenheimer trajectories

Zhu, C., Nangia, S., Jasper, A. W. & Truhlar, D. G., Oct 22 2004, In : The Journal of Chemical Physics. 121, 16, p. 7658-7670 13 p.

Research output: Contribution to journalArticle

Trajectories
trajectories
decay
algae
electronics
141 Citations (Scopus)

Introductory lecture: Nonadiabatic effects in chemical dynamics

Jasper, A. W., Zhu, C., Nangia, S. & Truhlar, D. G., 2004, In : Faraday Discussions. 127, p. 1-22 22 p.

Research output: Contribution to journalArticle

lectures
Electronic states
degrees of freedom
heat transfer
electronics
2002

A new form of MgTa 2O 6 obtained by the molten salt method

Nangia, S., Thirumal, M., Ganguli, A. K. & Gai, P., 2002, In : Microscopy and Microanalysis. 8, SUPPL. 2, p. 1414-1415 2 p.

Research output: Contribution to journalArticle

molten salts
Molten materials
Salts