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Nucleation rate analysis of methane hydrate from molecular dynamics simulations.

Faraday discussions

Yuhara D, Barnes BC, Suh D, Knott BC, Beckham GT, Yasuoka K, Wu DT, Sum AK.
PMID: 25876773
Faraday Discuss. 2015;179:463-74. doi: 10.1039/c4fd00219a. Epub 2015 Apr 16.

Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of...

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Yuhara D, Barnes BC, Suh D, et al. Nucleation rate analysis of methane hydrate from molecular dynamics simulations. Faraday Discuss. 2015;179:463-74doi: 10.1039/c4fd00219a.
Yuhara, D., Barnes, B. C., Suh, D., Knott, B. C., Beckham, G. T., Yasuoka, K., Wu, D. T., & Sum, A. K. (2015). Nucleation rate analysis of methane hydrate from molecular dynamics simulations. Faraday discussions, 179463-74. https://doi.org/10.1039/c4fd00219a
Yuhara, Daisuke, et al. "Nucleation rate analysis of methane hydrate from molecular dynamics simulations." Faraday discussions vol. 179 (2015): 463-74. doi: https://doi.org/10.1039/c4fd00219a
Yuhara D, Barnes BC, Suh D, Knott BC, Beckham GT, Yasuoka K, Wu DT, Sum AK. Nucleation rate analysis of methane hydrate from molecular dynamics simulations. Faraday Discuss. 2015;179:463-74. doi: 10.1039/c4fd00219a. Epub 2015 Apr 16. PMID: 25876773.
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How Properties of Solid Surfaces Modulate the Nucleation of Gas Hydrate.

Scientific reports

Bai D, Chen G, Zhang X, Sum AK, Wang W.
PMID: 26227239
Sci Rep. 2015 Jul 31;5:12747. doi: 10.1038/srep12747.

Molecular dynamics simulations were performed for CO2 dissolved in water near silica surfaces to investigate how the hydrophilicity and crystallinity of solid surfaces modulate the local structure of adjacent molecules and the nucleation of CO2 hydrates. Our simulations reveal...

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Bai D, Chen G, Zhang X, et al. How Properties of Solid Surfaces Modulate the Nucleation of Gas Hydrate. Sci Rep. 2015;5:12747doi: 10.1038/srep12747.
Bai, D., Chen, G., Zhang, X., Sum, A. K., & Wang, W. (2015). How Properties of Solid Surfaces Modulate the Nucleation of Gas Hydrate. Scientific reports, 512747. https://doi.org/10.1038/srep12747
Bai, Dongsheng, et al. "How Properties of Solid Surfaces Modulate the Nucleation of Gas Hydrate." Scientific reports vol. 5 (2015): 12747. doi: https://doi.org/10.1038/srep12747
Bai D, Chen G, Zhang X, Sum AK, Wang W. How Properties of Solid Surfaces Modulate the Nucleation of Gas Hydrate. Sci Rep. 2015 Jul 31;5:12747. doi: 10.1038/srep12747. PMID: 26227239; PMCID: PMC4521183.
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Dynamics of a homogeneous active dumbbell system.

Physical review. E, Statistical, nonlinear, and soft matter physics

Suma A, Gonnella G, Laghezza G, Lamura A, Mossa A, Cugliandolo LF.
PMID: 25493762
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Nov;90(5):052130. doi: 10.1103/PhysRevE.90.052130. Epub 2014 Nov 17.

We analyze the dynamics of a two-dimensional system of interacting active dumbbells. We characterize the mean-square displacement, linear response function, and deviation from the equilibrium fluctuation-dissipation theorem as a function of activity strength, packing fraction, and temperature for parameters...

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Suma A, Gonnella G, Laghezza G, et al. Dynamics of a homogeneous active dumbbell system. Phys Rev E Stat Nonlin Soft Matter Phys. 2014;90(5):052130doi: 10.1103/PhysRevE.90.052130.
Suma, A., Gonnella, G., Laghezza, G., Lamura, A., Mossa, A., & Cugliandolo, L. F. (2014). Dynamics of a homogeneous active dumbbell system. Physical review. E, Statistical, nonlinear, and soft matter physics, 90(5), 052130. https://doi.org/10.1103/PhysRevE.90.052130
Suma, Antonio, et al. "Dynamics of a homogeneous active dumbbell system." Physical review. E, Statistical, nonlinear, and soft matter physics vol. 90,5 (2014): 052130. doi: https://doi.org/10.1103/PhysRevE.90.052130
Suma A, Gonnella G, Laghezza G, Lamura A, Mossa A, Cugliandolo LF. Dynamics of a homogeneous active dumbbell system. Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Nov;90(5):052130. doi: 10.1103/PhysRevE.90.052130. Epub 2014 Nov 17. PMID: 25493762.
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Geographic Differences in Treatment of Early Stage Breast Cancer.

The breast journal

Joslyn SA.
PMID: 11348253
Breast J. 1999 Jan;5(1):29-35. doi: 10.1046/j.1524-4741.1999.005001029.x.

The objective of this study was to describe recent time and geographic variations in breast cancer treatment while controlling for patient age, race, and ethnic group. Treatment data for women diagnosed with localized breast cancer from nine defined geographic...

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Joslyn SA. Geographic Differences in Treatment of Early Stage Breast Cancer. Breast J. 1999;5(1):29-35doi: 10.1046/j.1524-4741.1999.005001029.x.
Joslyn, S. A. (1999). Geographic Differences in Treatment of Early Stage Breast Cancer. The breast journal, 5(1), 29-35. https://doi.org/10.1046/j.1524-4741.1999.005001029.x
Joslyn, Sue A.. "Geographic Differences in Treatment of Early Stage Breast Cancer." The breast journal vol. 5,1 (1999): 29-35. doi: https://doi.org/10.1046/j.1524-4741.1999.005001029.x
Joslyn SA. Geographic Differences in Treatment of Early Stage Breast Cancer. Breast J. 1999 Jan;5(1):29-35. doi: 10.1046/j.1524-4741.1999.005001029.x. PMID: 11348253.
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Outpatient cardiac catheterization and arteriography: Twenty-month experience at the Arizona Heart Institute.

Cardiovascular diseases

Diethrich EB, Kinard SA, Pierce SA, Koopot R.
PMID: 15216207
Cardiovasc Dis. 1981 Jun;8(2):195-204.

Arteriographic examination of the coronary, cerebral, and peripheral circulatory systems is the ultimate diagnostic technique for the identification and quantification of atherosclerotic occlusive disease. In the past, hospitalization has been required for this invasive procedure. Recently, however, the concept...

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Diethrich EB, Kinard SA, Pierce SA, et al. Outpatient cardiac catheterization and arteriography: Twenty-month experience at the Arizona Heart Institute. Cardiovasc Dis. 1981;8(2):195-204
Diethrich, E. B., Kinard, S. A., Pierce, S. A., & Koopot, R. (1981). Outpatient cardiac catheterization and arteriography: Twenty-month experience at the Arizona Heart Institute. Cardiovascular diseases, 8(2), 195-204.
Diethrich, Edward B., et al. "Outpatient cardiac catheterization and arteriography: Twenty-month experience at the Arizona Heart Institute." Cardiovascular diseases vol. 8,2 (1981): 195-204.
Diethrich EB, Kinard SA, Pierce SA, Koopot R. Outpatient cardiac catheterization and arteriography: Twenty-month experience at the Arizona Heart Institute. Cardiovasc Dis. 1981 Jun;8(2):195-204. PMID: 15216207; PMCID: PMC287916.
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Increasing hydrogen storage capacity using tetrahydrofuran.

Journal of the American Chemical Society

Sugahara T, Haag JC, Prasad PS, Warntjes AA, Sloan ED, Sum AK, Koh CA.
PMID: 19780560
J Am Chem Soc. 2009 Oct 21;131(41):14616-7. doi: 10.1021/ja905819z.

Hydrogen hydrates with tetrahydrofuran (THF) as a promoter molecule are investigated to probe critical unresolved observations regarding cage occupancy and storage capacity. We adopted a new preparation method, mixing solid powdered THF with ice and pressurizing with hydrogen at...

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Sugahara T, Haag JC, Prasad PS, et al. Increasing hydrogen storage capacity using tetrahydrofuran. J Am Chem Soc. 2009;131(41):14616-7doi: 10.1021/ja905819z.
Sugahara, T., Haag, J. C., Prasad, P. S., Warntjes, A. A., Sloan, E. D., Sum, A. K., & Koh, C. A. (2009). Increasing hydrogen storage capacity using tetrahydrofuran. Journal of the American Chemical Society, 131(41), 14616-7. https://doi.org/10.1021/ja905819z
Sugahara, Takeshi, et al. "Increasing hydrogen storage capacity using tetrahydrofuran." Journal of the American Chemical Society vol. 131,41 (2009): 14616-7. doi: https://doi.org/10.1021/ja905819z
Sugahara T, Haag JC, Prasad PS, Warntjes AA, Sloan ED, Sum AK, Koh CA. Increasing hydrogen storage capacity using tetrahydrofuran. J Am Chem Soc. 2009 Oct 21;131(41):14616-7. doi: 10.1021/ja905819z. PMID: 19780560.
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Micromechanical cohesion force measurements to determine cyclopentane hydrate interfacial properties.

Journal of colloid and interface science

Aman ZM, Joshi SE, Sloan ED, Sum AK, Koh CA.
PMID: 22484169
J Colloid Interface Sci. 2012 Jun 15;376(1):283-8. doi: 10.1016/j.jcis.2012.03.019. Epub 2012 Mar 15.

Hydrate aggregation and deposition are critical factors in determining where and when hydrates may plug a deepwater flowline. We present the first direct measurement of structure II (cyclopentane) hydrate cohesive forces in the water, liquid hydrocarbon and gas bulk...

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Aman ZM, Joshi SE, Sloan ED, et al. Micromechanical cohesion force measurements to determine cyclopentane hydrate interfacial properties. J Colloid Interface Sci. 2012;376(1):283-8doi: 10.1016/j.jcis.2012.03.019.
Aman, Z. M., Joshi, S. E., Sloan, E. D., Sum, A. K., & Koh, C. A. (2012). Micromechanical cohesion force measurements to determine cyclopentane hydrate interfacial properties. Journal of colloid and interface science, 376(1), 283-8. https://doi.org/10.1016/j.jcis.2012.03.019
Aman, Zachary M, et al. "Micromechanical cohesion force measurements to determine cyclopentane hydrate interfacial properties." Journal of colloid and interface science vol. 376,1 (2012): 283-8. doi: https://doi.org/10.1016/j.jcis.2012.03.019
Aman ZM, Joshi SE, Sloan ED, Sum AK, Koh CA. Micromechanical cohesion force measurements to determine cyclopentane hydrate interfacial properties. J Colloid Interface Sci. 2012 Jun 15;376(1):283-8. doi: 10.1016/j.jcis.2012.03.019. Epub 2012 Mar 15. PMID: 22484169.
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Phase Coexistence in Two-Dimensional Passive and Active Dumbbell Systems.

Physical review letters

Cugliandolo LF, Digregorio P, Gonnella G, Suma A.
PMID: 29328721
Phys Rev Lett. 2017 Dec 29;119(26):268002. doi: 10.1103/PhysRevLett.119.268002. Epub 2017 Dec 29.

We demonstrate that there is a macroscopic coexistence between regions with hexatic order and regions in the liquid or gas phase over a finite interval of packing fractions in active dumbbell systems with repulsive power-law interactions in two dimensions....

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Cugliandolo LF, Digregorio P, Gonnella G, et al. Phase Coexistence in Two-Dimensional Passive and Active Dumbbell Systems. Phys Rev Lett. 2017;119(26):268002doi: 10.1103/PhysRevLett.119.268002.
Cugliandolo, L. F., Digregorio, P., Gonnella, G., & Suma, A. (2017). Phase Coexistence in Two-Dimensional Passive and Active Dumbbell Systems. Physical review letters, 119(26), 268002. https://doi.org/10.1103/PhysRevLett.119.268002
Cugliandolo, Leticia F, et al. "Phase Coexistence in Two-Dimensional Passive and Active Dumbbell Systems." Physical review letters vol. 119,26 (2017): 268002. doi: https://doi.org/10.1103/PhysRevLett.119.268002
Cugliandolo LF, Digregorio P, Gonnella G, Suma A. Phase Coexistence in Two-Dimensional Passive and Active Dumbbell Systems. Phys Rev Lett. 2017 Dec 29;119(26):268002. doi: 10.1103/PhysRevLett.119.268002. Epub 2017 Dec 29. PMID: 29328721.
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Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations.

The Journal of chemical physics

Yuhara D, Brumby PE, Wu DT, Sum AK, Yasuoka K.
PMID: 29764125
J Chem Phys. 2018 May 14;148(18):184501. doi: 10.1063/1.5016609.

To develop prediction methods of three-phase equilibrium (coexistence) conditions of methane hydrate by molecular simulations, we examined the use of NVT (isometric-isothermal) molecular dynamics (MD) simulations. NVT MD simulations of coexisting solid hydrate, liquid water, and vapor methane phases...

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Yuhara D, Brumby PE, Wu DT, et al. Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations. J Chem Phys. 2018;148(18):184501doi: 10.1063/1.5016609.
Yuhara, D., Brumby, P. E., Wu, D. T., Sum, A. K., & Yasuoka, K. (2018). Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations. The Journal of chemical physics, 148(18), 184501. https://doi.org/10.1063/1.5016609
Yuhara, Daisuke, et al. "Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations." The Journal of chemical physics vol. 148,18 (2018): 184501. doi: https://doi.org/10.1063/1.5016609
Yuhara D, Brumby PE, Wu DT, Sum AK, Yasuoka K. Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations. J Chem Phys. 2018 May 14;148(18):184501. doi: 10.1063/1.5016609. PMID: 29764125.
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Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations.

The Journal of chemical physics

Brumby PE, Yuhara D, Hasegawa T, Wu DT, Sum AK, Yasuoka K.
PMID: 30954046
J Chem Phys. 2019 Apr 07;150(13):134503. doi: 10.1063/1.5084785.

In this paper, equilibrium properties of structure II hydrates of hydrogen were determined from Monte Carlo simulations in the isothermal-isobaric Gibbs ensemble. Water and hydrogen molecules are described by the TIP4P/Ice and Silvera-Goldman models, respectively. The use of the...

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Brumby PE, Yuhara D, Hasegawa T, et al. Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations. J Chem Phys. 2019;150(13):134503doi: 10.1063/1.5084785.
Brumby, P. E., Yuhara, D., Hasegawa, T., Wu, D. T., Sum, A. K., & Yasuoka, K. (2019). Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations. The Journal of chemical physics, 150(13), 134503. https://doi.org/10.1063/1.5084785
Brumby, Paul E, et al. "Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations." The Journal of chemical physics vol. 150,13 (2019): 134503. doi: https://doi.org/10.1063/1.5084785
Brumby PE, Yuhara D, Hasegawa T, Wu DT, Sum AK, Yasuoka K. Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations. J Chem Phys. 2019 Apr 07;150(13):134503. doi: 10.1063/1.5084785. PMID: 30954046.
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Joint impact of modifiable lifestyle behaviors on glycemic control and insulin resistance in patients with type 2 diabetes: the Fukuoka Diabetes Registry.

Diabetology international

Ohkuma T, Iwase M, Fujii H, Ide H, Kaizu S, Jodai T, Kikuchi Y, Idewaki Y, Sumi A, Nakamura U, Kitazono T.
PMID: 30603335
Diabetol Int. 2017 Feb 17;8(3):296-305. doi: 10.1007/s13340-017-0310-6. eCollection 2017 Aug.

AIMS: Little is known about the combined effects of unhealthy lifestyle behaviors on glycemia. The objective of this study was to examine the association between combined modifiable lifestyle and glycemic control, as well as markers of insulin resistance and...

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Ohkuma T, Iwase M, Fujii H, et al. Joint impact of modifiable lifestyle behaviors on glycemic control and insulin resistance in patients with type 2 diabetes: the Fukuoka Diabetes Registry. Diabetol Int. 2017;8(3):296-305doi: 10.1007/s13340-017-0310-6.
Ohkuma, T., Iwase, M., Fujii, H., Ide, H., Kaizu, S., Jodai, T., Kikuchi, Y., Idewaki, Y., Sumi, A., Nakamura, U., & Kitazono, T. (2017). Joint impact of modifiable lifestyle behaviors on glycemic control and insulin resistance in patients with type 2 diabetes: the Fukuoka Diabetes Registry. Diabetology international, 8(3), 296-305. https://doi.org/10.1007/s13340-017-0310-6
Ohkuma, Toshiaki, et al. "Joint impact of modifiable lifestyle behaviors on glycemic control and insulin resistance in patients with type 2 diabetes: the Fukuoka Diabetes Registry." Diabetology international vol. 8,3 (2017): 296-305. doi: https://doi.org/10.1007/s13340-017-0310-6
Ohkuma T, Iwase M, Fujii H, Ide H, Kaizu S, Jodai T, Kikuchi Y, Idewaki Y, Sumi A, Nakamura U, Kitazono T. Joint impact of modifiable lifestyle behaviors on glycemic control and insulin resistance in patients with type 2 diabetes: the Fukuoka Diabetes Registry. Diabetol Int. 2017 Feb 17;8(3):296-305. doi: 10.1007/s13340-017-0310-6. eCollection 2017 Aug. PMID: 30603335; PMCID: PMC6224889.
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Regulation and drug modulation of a voltage-gated sodium channel: Pivotal role of the S4-S5 linker in activation and slow inactivation.

Proceedings of the National Academy of Sciences of the United States of America

Xiao J, Bondarenko V, Wang Y, Suma A, Wells M, Chen Q, Tillman T, Luo Y, Yu B, Dailey WP, Eckenhoff R, Tang P, Carnevale V, Klein ML, Xu Y.
PMID: 34260401
Proc Natl Acad Sci U S A. 2021 Jul 13;118(28). doi: 10.1073/pnas.2102285118.

Voltage-gated sodium (Na

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Xiao J, Bondarenko V, Wang Y, et al. Regulation and drug modulation of a voltage-gated sodium channel: Pivotal role of the S4-S5 linker in activation and slow inactivation. Proc Natl Acad Sci U S A. 2021;118(28)doi: 10.1073/pnas.2102285118.
Xiao, J., Bondarenko, V., Wang, Y., Suma, A., Wells, M., Chen, Q., Tillman, T., Luo, Y., Yu, B., Dailey, W. P., Eckenhoff, R., Tang, P., Carnevale, V., Klein, M. L., & Xu, Y. (2021). Regulation and drug modulation of a voltage-gated sodium channel: Pivotal role of the S4-S5 linker in activation and slow inactivation. Proceedings of the National Academy of Sciences of the United States of America, 118(28), . https://doi.org/10.1073/pnas.2102285118
Xiao, Jinglei, et al. "Regulation and drug modulation of a voltage-gated sodium channel: Pivotal role of the S4-S5 linker in activation and slow inactivation." Proceedings of the National Academy of Sciences of the United States of America vol. 118,28 (2021). doi: https://doi.org/10.1073/pnas.2102285118
Xiao J, Bondarenko V, Wang Y, Suma A, Wells M, Chen Q, Tillman T, Luo Y, Yu B, Dailey WP, Eckenhoff R, Tang P, Carnevale V, Klein ML, Xu Y. Regulation and drug modulation of a voltage-gated sodium channel: Pivotal role of the S4-S5 linker in activation and slow inactivation. Proc Natl Acad Sci U S A. 2021 Jul 13;118(28). doi: 10.1073/pnas.2102285118. PMID: 34260401; PMCID: PMC8285963.
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Showing 1 to 12 of 75 entries