Dhawal Shah, PhD

Assistant Professor, Molecular Insights into the role of Arginine on Protein Stabilization

Accepting PhD Students

  • 294 Citations
  • 7 h-Index
20102021
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Research Output 2010 2020

  • 294 Citations
  • 7 h-Index
  • 21 Article
  • 6 Conference contribution
  • 1 Chapter
2020

Monoethanolamine based DESs for CO2 absorption: Insights from molecular dynamics simulations

Kussainova, D. & Shah, D., Jan 16 2020, In : Separation and Purification Technology. 231, 115931.

Research output: Contribution to journalArticle

Ethanolamine
Eutectics
Molecular dynamics
Computer simulation
Amines
2019

Intermolecular interactions and solvation effects of dimethylsulfoxide on type III deep eutectic solvents

Shah, D., Mansurov, U. & Mjalli, F. S., Jan 1 2019, In : Physical Chemistry Chemical Physics. 21, 31, p. 17200-17208 9 p.

Research output: Contribution to journalArticle

Solvation
Dimethyl Sulfoxide
ureas
eutectics
Eutectics
3 Citations (Scopus)

Molecular dynamics simulations on extractive desulfurization of fuels by tetrabutylammonium chloride based Deep Eutectic Solvents

Shah, D., Gapeyenko, D., Urakpayev, A. & Torkmahalleh, M., Jan 15 2019, In : Journal of Molecular Liquids. 274, p. 254-260 7 p.

Research output: Contribution to journalArticle

Desulfurization
eutectics
Eutectics
Molecular dynamics
chlorides
2 Citations (Scopus)

Structure of monoethanolamine based type III DESs: Insights from molecular dynamics simulations

Kussainova, D. & Shah, D., Mar 1 2019, In : Fluid Phase Equilibria. 482, p. 112-117 6 p.

Research output: Contribution to journalArticle

monoethanolamine (MEA)
Ethanolamine
eutectics
Eutectics
Amines
Silver
Nanoparticles
Nanocomposites
Negative ions
Zeta potential
2018

A new model to predict particulate matter impact on the solvent loss in Post Combustion CO2 Capture Plants using Aspen Plus

Torkmahalleh, M., Mansurov, U., Shah, D. & Bazybek, N., 2018, GHGT-14. Melbourne, Australia

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Citations (Scopus)

Contributions of burner, pan, meat and salt to PM emission during grilling

Amouei Torkmahalleh, M., Ospanova, S., Baibatyrova, A., Nurbay, S., Zhanakhmet, G. & Shah, D., Jul 1 2018, In : Environmental Research. 164, p. 11-17 7 p.

Research output: Contribution to journalArticle

Meats
Fuel burners
meat
Meat
Salts
13 Citations (Scopus)
Hydrothermal synthesis
heuristics
Fly ash
fly ash
zeolite

Investigating Aerosol Formation in Flue Gas from Post Combustion CO2 Capture Plants Using Molecular Dynamics Simulation

Mansurov, U., Shah, D., Bazybek, N. & Torkmahalleh, M., 2018, 2018 AIChE Spring Meeting. Orlando, USA

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular dynamics simulations on extractive desulfurization of fuels by tetrabutylammonium chloride based Deep Eutectic Solvents

Shah, D., Gapeyenko, D., Torkmahalleh, M. & Urakpayev, A., 2018, (Accepted/In press) In : Journal of Molecular Liquids. 274, p. 254-260

Research output: Contribution to journalArticle

Desulfurization
eutectics
Eutectics
Molecular dynamics
chlorides
1 Citation (Scopus)

Molecular dynamics simulations to design novel solvents for deep desulfurization

Gapeyenko, D., Jamwal, P. & Shah, D., Jan 1 2018, Advanced Materials - Proceedings of the International Conference on "Physics and Mechanics of New Materials and Their Applications", PHENMA 2017. Springer Science and Business Media, LLC, Vol. 207. p. 119-124 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

molecular dynamics
eutectics
simulation
melting points
chlorides

Particulate Matter Formation in CO2 Capture Plants: Insights from Molecular Dynamics Simulation

Torkmahalleh, M., Mansurov, U., Shah, D. & Bazybek, N., 2018, GHGT-14. Melbourne, Australia

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Particulate matter formation in post-combustion carbon dioxide capture columns: Insights from molecular dynamics simulations.

Mansurov, U., Shah, D., Bazybek, N. & Torkmahalleh, M., 2018, (Accepted/In press) In : Energy and Fuels.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Particulate Matter Formation in Post-combustion CO2 Capture Columns: Insights from Molecular Dynamics Simulations

Mansurov, U., Shah, D., Bazybek, N. & Torkmahalleh, M., Jan 1 2018, (Accepted/In press) In : Energy and Fuels.

Research output: Contribution to journalArticle

Particulate Matter
Molecular dynamics
Ethanolamine
Computer simulation
Water vapor
Zeolites
Coal Ash
Silver Nanoparticles
fly ash
Mercury

Understanding Particulate Matter Formation in CO2 Capture Plants using Molecular Dynamics Simulation.

Torkmahalleh, M., Mansurov, U. & Shah, D., 2018, International Aerosol Conference . St. Luis, Missouri, USA

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2017
52 Citations (Scopus)

Formation of type III Deep Eutectic Solvents and effect of water on their intermolecular interactions

Zhekenov, T., Toksanbayev, N., Kazakbayeva, Z., Shah, D. & Mjalli, F. S., Jun 15 2017, In : Fluid Phase Equilibria. 441, p. 43-48 6 p.

Research output: Contribution to journalArticle

eutectics
Eutectics
Water
water
interactions
3 Citations (Scopus)

Intermolecular interactions and its effect within Cr3+-containing atmospheric particulate matter using molecular dynamics simulations

Shah, D., Aldamzharov, B., Bukayeva, A., Amouei Torkmahalleh, M. & Ahmadi, G., Jan 1 2017, In : Atmospheric Environment. 166, p. 334-339 6 p.

Research output: Contribution to journalArticle

particulate matter
atmospheric particle
simulation
atmospheric chemistry
formaldehyde
4 Citations (Scopus)
Coal Ash
Zeolites
Coal
Mercury
Fly ash
2016
9 Citations (Scopus)
Protein Stability
Guanidine
Muramidase
Lysine
Arginine

Simulation of atmospheric Cr chemistry and physics

Torkmahalleh, M., Shah, D., Aldamzharov, B., Konakbayeva, D., Bukayeva, A., Zinetullina, A. & Fyrillas, M., 2016, European Aerosol Conference. Tours, France

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2015
2 Citations (Scopus)

Arginine-Amino acid interactions and implications to protein solubility and aggregation

Shaikh, A. R. & Shah, D., 2015, In : Journal of Engineering Research. 12, 2, p. 1-14 14 p.

Research output: Contribution to journalArticle

Arginine
Amino acids
Agglomeration
Solubility
Proteins
3 Citations (Scopus)

Simulation based insight into solvation properties of ferric chloride based eutectic solvent

Mjalli, F. S. & Shah, D., 2015, Chemical Engineering Transactions. Italian Association of Chemical Engineering - AIDIC, Vol. 43. p. 1843-1848 6 p. (Chemical Engineering Transactions; vol. 43).

Research output: Chapter in Book/Report/Conference proceedingChapter

Solvation
Eutectics
Liquid fuels
Ions
Molecular dynamics
2014
91 Citations (Scopus)

Effect of water on the thermo-physical properties of Reline: An experimental and molecular simulation based approach

Shah, D. & Mjalli, F. S., Nov 21 2014, In : Physical Chemistry Chemical Physics. 16, 43, p. 23900-23907 8 p.

Research output: Contribution to journalArticle

thermophysical properties
Thermodynamic properties
ureas
Water
eutectics
2012
29 Citations (Scopus)

Arginine-aromatic interactions and their effects on arginine-induced solubilization of aromatic solutes and suppression of protein aggregation

Shah, D., Li, J., Shaikh, A. R. & Rajagopalan, R., Jan 2012, In : Biotechnology Progress. 28, 1, p. 223-231 9 p.

Research output: Contribution to journalArticle

Arginine
Insulin
Muramidase
Proteins
Peptides
2011
35 Citations (Scopus)

Effects of arginine on heat-induced aggregation of concentrated protein solutions

Shah, D., Shaikh, A. R., Peng, X. & Rajagopalan, R., Mar 2011, In : Biotechnology Progress. 27, 2, p. 513-520 8 p.

Research output: Contribution to journalArticle

Arginine
Hot Temperature
Proteins
Guanidine
Muramidase
6 Citations (Scopus)

Effects of polydisperse crowders on aggregation reactions: A molecular thermodynamic analysis

Shah, D., Tan, A. L., Ramakrishnan, V., Jiang, J. & Rajagopalan, R., Feb 14 2011, In : Journal of Chemical Physics. 134, 6, 064704.

Research output: Contribution to journalArticle

Polydispersity
Thermodynamics
Agglomeration
thermodynamics
crowding
2010
36 Citations (Scopus)

Solubilization of aromatic and hydrophobic moieties by arginine in aqueous solutions

Li, J., Garg, M., Shah, D. & Rajagopalan, R., Aug 7 2010, In : Journal of Chemical Physics. 133, 5, 054902.

Research output: Contribution to journalArticle

Arginine
aqueous solutions
proteins
Agglomeration
solvation