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Characterization of colloidal structures during intestinal lipolysis using small-angle neutron scattering.

Journal of colloid and interface science

Rezhdo O, Di Maio S, Le P, Littrell KC, Carrier RL, Chen SH.
PMID: 28384537
J Colloid Interface Sci. 2017 Aug 01;499:189-201. doi: 10.1016/j.jcis.2017.03.109. Epub 2017 Mar 30.

HYPOTHESIS: Bile micelles are thought to mediate intestinal absorption, in part by providing a phase into which compounds can partition. Solubilizing capacity of bile micelles is enhanced during the digestion of fat rich food. We hypothesized that the intestinal...

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Rezhdo O, Di Maio S, Le P, et al. Characterization of colloidal structures during intestinal lipolysis using small-angle neutron scattering. J Colloid Interface Sci. 2017;499:189-201doi: 10.1016/j.jcis.2017.03.109.
Rezhdo, O., Di Maio, S., Le, P., Littrell, K. C., Carrier, R. L., & Chen, S. H. (2017). Characterization of colloidal structures during intestinal lipolysis using small-angle neutron scattering. Journal of colloid and interface science, 499189-201. https://doi.org/10.1016/j.jcis.2017.03.109
Rezhdo, Oljora, et al. "Characterization of colloidal structures during intestinal lipolysis using small-angle neutron scattering." Journal of colloid and interface science vol. 499 (2017): 189-201. doi: https://doi.org/10.1016/j.jcis.2017.03.109
Rezhdo O, Di Maio S, Le P, Littrell KC, Carrier RL, Chen SH. Characterization of colloidal structures during intestinal lipolysis using small-angle neutron scattering. J Colloid Interface Sci. 2017 Aug 01;499:189-201. doi: 10.1016/j.jcis.2017.03.109. Epub 2017 Mar 30. PMID: 28384537; PMCID: PMC5627765.
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Fragment Molecular Orbital Nonadiabatic Molecular Dynamics for Condensed Phase Systems.

The journal of physical chemistry. A

Nebgen B, Prezhdo OV.
PMID: 27537357
J Phys Chem A. 2016 Sep 15;120(36):7205-12. doi: 10.1021/acs.jpca.6b05607. Epub 2016 Sep 01.

A method for efficiently simulating nonadiabatic molecular dynamics (NAMD) of nanoscale and condensed phase systems is developed and tested. The electronic structure, including force and nonadiabatic coupling, are obtained with the fragment molecular orbital (FMO) approximation, which provides significant...

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Nebgen B, Prezhdo OV. Fragment Molecular Orbital Nonadiabatic Molecular Dynamics for Condensed Phase Systems. J Phys Chem A. 2016;120(36):7205-12doi: 10.1021/acs.jpca.6b05607.
Nebgen, B., & Prezhdo, O. V. (2016). Fragment Molecular Orbital Nonadiabatic Molecular Dynamics for Condensed Phase Systems. The journal of physical chemistry. A, 120(36), 7205-12. https://doi.org/10.1021/acs.jpca.6b05607
Nebgen, Ben, and Prezhdo, Oleg V. "Fragment Molecular Orbital Nonadiabatic Molecular Dynamics for Condensed Phase Systems." The journal of physical chemistry. A vol. 120,36 (2016): 7205-12. doi: https://doi.org/10.1021/acs.jpca.6b05607
Nebgen B, Prezhdo OV. Fragment Molecular Orbital Nonadiabatic Molecular Dynamics for Condensed Phase Systems. J Phys Chem A. 2016 Sep 15;120(36):7205-12. doi: 10.1021/acs.jpca.6b05607. Epub 2016 Sep 01. PMID: 27537357.
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Sub-Picosecond Auger-Mediated Hole-Trapping Dynamics in Colloidal CdSe/CdS Core/Shell Nanoplatelets.

ACS nano

Dong S, Pal S, Lian J, Chan Y, Prezhdo OV, Loh ZH.
PMID: 27640430
ACS Nano. 2016 Oct 25;10(10):9370-9378. doi: 10.1021/acsnano.6b04210. Epub 2016 Sep 21.

Quasi-two-dimensional colloidal nanoplatelets (NPLs) have recently emerged as a class of semiconductor nanomaterials whose atomically precise monodisperse thicknesses give rise to narrow absorption and emission spectra. However, the sub-picosecond carrier dynamics of NPLs at the band edge remain largely...

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Dong S, Pal S, Lian J, et al. Sub-Picosecond Auger-Mediated Hole-Trapping Dynamics in Colloidal CdSe/CdS Core/Shell Nanoplatelets. ACS Nano. 2016;10(10):9370-9378doi: 10.1021/acsnano.6b04210.
Dong, S., Pal, S., Lian, J., Chan, Y., Prezhdo, O. V., & Loh, Z. H. (2016). Sub-Picosecond Auger-Mediated Hole-Trapping Dynamics in Colloidal CdSe/CdS Core/Shell Nanoplatelets. ACS nano, 10(10), 9370-9378. https://doi.org/10.1021/acsnano.6b04210
Dong, Shuo, et al. "Sub-Picosecond Auger-Mediated Hole-Trapping Dynamics in Colloidal CdSe/CdS Core/Shell Nanoplatelets." ACS nano vol. 10,10 (2016): 9370-9378. doi: https://doi.org/10.1021/acsnano.6b04210
Dong S, Pal S, Lian J, Chan Y, Prezhdo OV, Loh ZH. Sub-Picosecond Auger-Mediated Hole-Trapping Dynamics in Colloidal CdSe/CdS Core/Shell Nanoplatelets. ACS Nano. 2016 Oct 25;10(10):9370-9378. doi: 10.1021/acsnano.6b04210. Epub 2016 Sep 21. PMID: 27640430.
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Nitrogen-Nitrogen Bonds Undermine Stability of N-Doped Graphene.

Journal of the American Chemical Society

Chaban VV, Prezhdo OV.
PMID: 26312575
J Am Chem Soc. 2015 Sep 16;137(36):11688-94. doi: 10.1021/jacs.5b05890. Epub 2015 Sep 01.

Two-dimensional alloys of carbon and nitrogen draw strong interest due to prospective applications in nanomechanical and optoelectronic devices. The stability of these chemical structures can vary greatly as a function of chemical composition and structure. The present study employs...

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Chaban VV, Prezhdo OV. Nitrogen-Nitrogen Bonds Undermine Stability of N-Doped Graphene. J Am Chem Soc. 2015;137(36):11688-94doi: 10.1021/jacs.5b05890.
Chaban, V. V., & Prezhdo, O. V. (2015). Nitrogen-Nitrogen Bonds Undermine Stability of N-Doped Graphene. Journal of the American Chemical Society, 137(36), 11688-94. https://doi.org/10.1021/jacs.5b05890
Chaban, Vitaly V, and Prezhdo, Oleg V. "Nitrogen-Nitrogen Bonds Undermine Stability of N-Doped Graphene." Journal of the American Chemical Society vol. 137,36 (2015): 11688-94. doi: https://doi.org/10.1021/jacs.5b05890
Chaban VV, Prezhdo OV. Nitrogen-Nitrogen Bonds Undermine Stability of N-Doped Graphene. J Am Chem Soc. 2015 Sep 16;137(36):11688-94. doi: 10.1021/jacs.5b05890. Epub 2015 Sep 01. PMID: 26312575.
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Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping.

The Journal of chemical physics

Sifain AE, Wang L, Prezhdo OV.
PMID: 27276938
J Chem Phys. 2016 Jun 07;144(21):211102. doi: 10.1063/1.4953444.

Surface hopping is the most popular method for nonadiabatic molecular dynamics. Many have reported that it does not rigorously attain detailed balance at thermal equilibrium, but does so approximately. We show that convergence to the Boltzmann populations is significantly...

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Sifain AE, Wang L, Prezhdo OV. Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping. J Chem Phys. 2016;144(21):211102doi: 10.1063/1.4953444.
Sifain, A. E., Wang, L., & Prezhdo, O. V. (2016). Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping. The Journal of chemical physics, 144(21), 211102. https://doi.org/10.1063/1.4953444
Sifain, Andrew E, et al. "Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping." The Journal of chemical physics vol. 144,21 (2016): 211102. doi: https://doi.org/10.1063/1.4953444
Sifain AE, Wang L, Prezhdo OV. Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping. J Chem Phys. 2016 Jun 07;144(21):211102. doi: 10.1063/1.4953444. PMID: 27276938.
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Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces.

Annual review of physical chemistry

Wang L, Long R, Prezhdo OV.
PMID: 25622188
Annu Rev Phys Chem. 2015 Apr;66:549-79. doi: 10.1146/annurev-physchem-040214-121359. Epub 2015 Jan 22.

Nonequilibrium processes involving electronic and vibrational degrees of freedom in nanoscale materials are under active experimental investigation. Corresponding theoretical studies are much scarcer. The review starts with the basics of time-dependent density functional theory, recent developments in nonadiabatic molecular...

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Wang L, Long R, Prezhdo OV. Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces. Annu Rev Phys Chem. 2015;66:549-79doi: 10.1146/annurev-physchem-040214-121359.
Wang, L., Long, R., & Prezhdo, O. V. (2015). Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces. Annual review of physical chemistry, 66549-79. https://doi.org/10.1146/annurev-physchem-040214-121359
Wang, Linjun, et al. "Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces." Annual review of physical chemistry vol. 66 (2015): 549-79. doi: https://doi.org/10.1146/annurev-physchem-040214-121359
Wang L, Long R, Prezhdo OV. Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces. Annu Rev Phys Chem. 2015 Apr;66:549-79. doi: 10.1146/annurev-physchem-040214-121359. Epub 2015 Jan 22. PMID: 25622188.
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Ab Initio Analysis of Auger-Assisted Electron Transfer.

The journal of physical chemistry letters

Hyeon-Deuk K, Kim J, Prezhdo OV.
PMID: 26263457
J Phys Chem Lett. 2015 Jan 15;6(2):244-9. doi: 10.1021/jz502505m. Epub 2014 Dec 31.

Quantum confinement in nanoscale materials allows Auger-type electron-hole energy exchange. We show by direct time-domain atomistic simulation and analytic theory that Auger processes give rise to a new mechanism of charge transfer (CT) on the nanoscale. Auger-assisted CT eliminates...

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Hyeon-Deuk K, Kim J, Prezhdo OV. Ab Initio Analysis of Auger-Assisted Electron Transfer. J Phys Chem Lett. 2014;6(2):244-9doi: 10.1021/jz502505m.
Hyeon-Deuk, K., Kim, J., & Prezhdo, O. V. (2015). Ab Initio Analysis of Auger-Assisted Electron Transfer. The journal of physical chemistry letters, 6(2), 244-9. https://doi.org/10.1021/jz502505m
Hyeon-Deuk, Kim, et al. "Ab Initio Analysis of Auger-Assisted Electron Transfer." The journal of physical chemistry letters vol. 6,2 (2015): 244-9. doi: https://doi.org/10.1021/jz502505m
Hyeon-Deuk K, Kim J, Prezhdo OV. Ab Initio Analysis of Auger-Assisted Electron Transfer. J Phys Chem Lett. 2015 Jan 15;6(2):244-9. doi: 10.1021/jz502505m. Epub 2014 Dec 31. PMID: 26263457.
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Analysis of depolarization ratios of ClNO(2) dissolved in methanol.

The Journal of chemical physics

Trimithioti M, Akimov AV, Prezhdo OV, Hayes SC.
PMID: 24410223
J Chem Phys. 2014 Jan 07;140(1):014301. doi: 10.1063/1.4854055.

A detailed analysis of the resonance Raman depolarization ratio dispersion curve for the N-O symmetric stretch of nitryl chloride in methanol at excitation wavelengths spanning the D absorption band is presented. The depolarization ratios are modeled using the time-dependent...

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Trimithioti M, Akimov AV, Prezhdo OV, et al. Analysis of depolarization ratios of ClNO(2) dissolved in methanol. J Chem Phys. 2014;140(1):014301doi: 10.1063/1.4854055.
Trimithioti, M., Akimov, A. V., Prezhdo, O. V., & Hayes, S. C. (2014). Analysis of depolarization ratios of ClNO(2) dissolved in methanol. The Journal of chemical physics, 140(1), 014301. https://doi.org/10.1063/1.4854055
Trimithioti, Marilena, et al. "Analysis of depolarization ratios of ClNO(2) dissolved in methanol." The Journal of chemical physics vol. 140,1 (2014): 014301. doi: https://doi.org/10.1063/1.4854055
Trimithioti M, Akimov AV, Prezhdo OV, Hayes SC. Analysis of depolarization ratios of ClNO(2) dissolved in methanol. J Chem Phys. 2014 Jan 07;140(1):014301. doi: 10.1063/1.4854055. PMID: 24410223.
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Computationally Efficient Prediction of Ionic Liquid Properties.

The journal of physical chemistry letters

Chaban VV, Prezhdo OV.
PMID: 26273883
J Phys Chem Lett. 2014 Jun 05;5(11):1973-7. doi: 10.1021/jz5007127. Epub 2014 May 22.

Due to fundamental differences, room-temperature ionic liquids (RTIL) are significantly more viscous than conventional molecular liquids and require long simulation times. At the same time, RTILs remain in the liquid state over a much broader temperature range than the...

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Chaban VV, Prezhdo OV. Computationally Efficient Prediction of Ionic Liquid Properties. J Phys Chem Lett. 2014;5(11):1973-7doi: 10.1021/jz5007127.
Chaban, V. V., & Prezhdo, O. V. (2014). Computationally Efficient Prediction of Ionic Liquid Properties. The journal of physical chemistry letters, 5(11), 1973-7. https://doi.org/10.1021/jz5007127
Chaban, Vitaly V, and Prezhdo, Oleg V. "Computationally Efficient Prediction of Ionic Liquid Properties." The journal of physical chemistry letters vol. 5,11 (2014): 1973-7. doi: https://doi.org/10.1021/jz5007127
Chaban VV, Prezhdo OV. Computationally Efficient Prediction of Ionic Liquid Properties. J Phys Chem Lett. 2014 Jun 05;5(11):1973-7. doi: 10.1021/jz5007127. Epub 2014 May 22. PMID: 26273883.
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Ionic and Molecular Liquids: Working Together for Robust Engineering.

The journal of physical chemistry letters

Chaban VV, Prezhdo OV.
PMID: 26282294
J Phys Chem Lett. 2013 May 02;4(9):1423-31. doi: 10.1021/jz400113y. Epub 2013 Apr 15.

Because of their outstanding versatility, room-temperature ionic liquids (RTILs) are utilized in an ever increasing number of novel and fascinating applications, making them the Holy Grail of modern materials science. In this Perspective, we address the fundamental research and...

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Chaban VV, Prezhdo OV. Ionic and Molecular Liquids: Working Together for Robust Engineering. J Phys Chem Lett. 2013;4(9):1423-31doi: 10.1021/jz400113y.
Chaban, V. V., & Prezhdo, O. V. (2013). Ionic and Molecular Liquids: Working Together for Robust Engineering. The journal of physical chemistry letters, 4(9), 1423-31. https://doi.org/10.1021/jz400113y
Chaban, Vitaly V, and Prezhdo, Oleg V. "Ionic and Molecular Liquids: Working Together for Robust Engineering." The journal of physical chemistry letters vol. 4,9 (2013): 1423-31. doi: https://doi.org/10.1021/jz400113y
Chaban VV, Prezhdo OV. Ionic and Molecular Liquids: Working Together for Robust Engineering. J Phys Chem Lett. 2013 May 02;4(9):1423-31. doi: 10.1021/jz400113y. Epub 2013 Apr 15. PMID: 26282294.
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Selective Excitation of Atomic-Scale Dynamics by Coherent Exciton Motion in the Non-Born-Oppenheimer Regime.

The journal of physical chemistry letters

Nie Z, Long R, Li J, Zheng YY, Prezhdo OV, Loh ZH.
PMID: 26296176
J Phys Chem Lett. 2013 Dec 19;4(24):4260-6. doi: 10.1021/jz401945m. Epub 2013 Dec 03.

Time-domain investigations of the nonadiabatic coupling between electronic and vibrational degrees of freedom have focused primarily on the formation of electronic superpositions induced by atomic motion. The effect of electronic nonstationary-state dynamics on atomic motion remains unexplored. Here, phase-coherent...

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Nie Z, Long R, Li J, et al. Selective Excitation of Atomic-Scale Dynamics by Coherent Exciton Motion in the Non-Born-Oppenheimer Regime. J Phys Chem Lett. 2013;4(24):4260-6doi: 10.1021/jz401945m.
Nie, Z., Long, R., Li, J., Zheng, Y. Y., Prezhdo, O. V., & Loh, Z. H. (2013). Selective Excitation of Atomic-Scale Dynamics by Coherent Exciton Motion in the Non-Born-Oppenheimer Regime. The journal of physical chemistry letters, 4(24), 4260-6. https://doi.org/10.1021/jz401945m
Nie, Zhaogang, et al. "Selective Excitation of Atomic-Scale Dynamics by Coherent Exciton Motion in the Non-Born-Oppenheimer Regime." The journal of physical chemistry letters vol. 4,24 (2013): 4260-6. doi: https://doi.org/10.1021/jz401945m
Nie Z, Long R, Li J, Zheng YY, Prezhdo OV, Loh ZH. Selective Excitation of Atomic-Scale Dynamics by Coherent Exciton Motion in the Non-Born-Oppenheimer Regime. J Phys Chem Lett. 2013 Dec 19;4(24):4260-6. doi: 10.1021/jz401945m. Epub 2013 Dec 03. PMID: 26296176.
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Haber Process Made Efficient by Hydroxylated Graphene: Ab Initio Thermochemistry and Reactive Molecular Dynamics.

The journal of physical chemistry letters

Chaban VV, Prezhdo OV.
PMID: 27340901
J Phys Chem Lett. 2016 Jul 07;7(13):2622-6. doi: 10.1021/acs.jpclett.6b01178. Epub 2016 Jun 28.

The Haber-Bosch process is the main industrial method for producing ammonia from diatomic nitrogen and hydrogen. We use a combination of ab initio thermochemical analysis and reactive molecular dynamics to demonstrate that a significant increase in the ammonia production...

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Chaban VV, Prezhdo OV. Haber Process Made Efficient by Hydroxylated Graphene: Ab Initio Thermochemistry and Reactive Molecular Dynamics. J Phys Chem Lett. 2016;7(13):2622-6doi: 10.1021/acs.jpclett.6b01178.
Chaban, V. V., & Prezhdo, O. V. (2016). Haber Process Made Efficient by Hydroxylated Graphene: Ab Initio Thermochemistry and Reactive Molecular Dynamics. The journal of physical chemistry letters, 7(13), 2622-6. https://doi.org/10.1021/acs.jpclett.6b01178
Chaban, Vitaly V, and Prezhdo, Oleg V. "Haber Process Made Efficient by Hydroxylated Graphene: Ab Initio Thermochemistry and Reactive Molecular Dynamics." The journal of physical chemistry letters vol. 7,13 (2016): 2622-6. doi: https://doi.org/10.1021/acs.jpclett.6b01178
Chaban VV, Prezhdo OV. Haber Process Made Efficient by Hydroxylated Graphene: Ab Initio Thermochemistry and Reactive Molecular Dynamics. J Phys Chem Lett. 2016 Jul 07;7(13):2622-6. doi: 10.1021/acs.jpclett.6b01178. Epub 2016 Jun 28. PMID: 27340901.
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Showing 1 to 12 of 243 entries