Publications

Highlights

At the end of this page, you can find the full list of publications.

 

Full List of Publications

From Spheres to Cones: Structural Instabilities and Acidity at Conical Regions in Trivalent Metal Ion Nano-clusters
J Shi, H Nguyen, MP Arboleda, S Consta
Journal of the American Chemical Society, 147, 37965–37976 (2025).

Molecular simulation methods of evaporating electrosprayed droplets
S Consta, H Nguyen
International Journal of Mass Spectrometry, 508, 117369, (2025).

Modeling the ionization mechanism of amorphous solid particles without an external energy source coupled to mass spectrometry
S Consta, LM Wingen, Y Qin, V Perraud, B Finlayson-Pitts
Physical Chemistry Chemical Physics (2024)

Variation of surface propensity of halides with droplet size and temperature: The planar interface limit
V Kwan, S Malek, S Consta
The Journal of Physical Chemistry B (2023)

The variation of surface propensity of halides with droplet size and temperature
V Kwan, S Malek, S Consta
ChemRxiv (2023)

Limitations of Atomistic Molecular Dynamics to Reveal Ejection of Proteins from Charged Nanodroplets
V Kwan, P Ballaney, Titiksha, S Consta
The Journal of Physical Chemistry B (2023)

Atomistic modeling of jet formation in charged droplet
S Consta
Journal of Physical Chemistry B 126 (41) 8350-8357 (2022)

Conical shape fluctuations determine the ejected cluster-size distribution and emission rate of ion-evaporation from multiple-charged droplets
V Kwan, S Consta
Journal of Physical Chemistry A 126 (20) 3229-3238 (2022)

Salt enrichment and dynamics in the interface of a supercooled aqueous droplet
V Kwan, S R Maiti, Ivan Saika-Voivod, S Consta
Journal of the American Chemical Society 144 (25) 11148-11158 (2022)

Low density interior in supercooled aqueous nanodroplets expels ions to the subsurface
Shahrazad Moh Malek, Ivan Saika-Voivod, S Consta
Journal of the American Chemical Society 143 (33) 13113-13123 (2021)

Relation between Ejection Mechanism and Ion Abundance in the Electric Double Layer of Droplets
V Kwan, et al.
The Journal of Physical Chemistry A 125 2954-2966 (2021)

Molecular characterization of the surface excess charge layer in droplets
V Kwan, S Consta
Journal of the American Society for Mass Spectrometry 32 (1) 33-45 (2021)

Bridging electrostatic properties between nanoscopic and microscopic highly charged droplets
V Kwan, S Consta
Chemical Physics Letters 746 (2020)

Where Do the Ions Reside in a Highly Charged Droplet?
V Kwan, A Malevanets, S Consta
Journal of Physical Chemistry A 123 (43) 9298-9310 (2019)

Ionic strength in systems that violate electric neutrality
S Consta
Abstracts of Papers of the American Chemical Society 258 (2019)

Role of macroion-droplet interactions in the charge state of macromolecules
S Consta
Abstracts of Papers of the American Chemical Society 258 (2019)

Effect of the chemical environment of the DNA guanine quadruplex on the free energy of binding of Na and K ions
M Sharawy, S Consta
Journal of Chemical Physics 150 (2) (2019)

Strengths and Weaknesses of Molecular Simulations of Electrosprayed Droplets
S Consta, MI Oh, V Kwan, A Malevanets
Journal of the American Society for Mass Spectrometry 29 (12) 2287-2296 (2018)

Macroion-Solvent Interactions in Charged Droplets
S Consta, MI Oh, M Sharawy, A Malevanets
Journal of Physical Chemistry A 122 (24) 5239-5250 (2018)

Star morphologies of charged nanodrops comprised of conformational isomers
MI Oh, M Paliy, S Consta
Journal of Chemical Physics 148 (2) (2018)

Landau-Ginzburg theory for star-shaped droplets
A Malevanets, MI Oh, M Sharawy, S Consta
Molecular Physics 116 (21-22) 2892-2900 (2018)

Role of a reaction coordinate in free energy calculations
S Consta, A Malevanets, MI Oh, M Sharawy
Molecular Simulation 44 (13-14) 1033-1043 (2018)

What factors determine the stability of a weak protein-protein interaction in a charged aqueous droplet?
MI Oh, S Consta
Physical Chemistry Chemical Physics 19 (47) 31965-31981 (2017)

When droplets become stars: charged dielectric droplets beyond the Rayleigh limit
MI Oh, A Malevanets, M Paliy, D Frenkel, S Consta
Soft Matter 13 (46) 8781-8795 (2017)

Characterization of “Star” Droplet Morphologies Induced by Charged Macromolecules
M Sharawy, S Consta
Journal of Physical Chemistry A 120 (44) 8871-8880 (2016)

New mechanisms of macroion-induced disintegration of charged droplets
S Consta, MI Oh, A Malevanets
Chemical Physics Letters 663 1-12 (2016)

Effect of solvent on the charging mechanisms of poly(ethylene glycol) in droplets
S Soltani, MI Oh, S Consta
Journal of Chemical Physics 142 (11) (2015)

Disintegration mechanisms of charged nanodroplets: novel systems for applying methods of activated processes
S Consta, A Malevanets
Molecular Simulation 41 (1-3 SI) 73-85 (2015)

Advances in the theoretical and molecular simulation studies of the ion chemistry in droplets
S Consta, MI Oh, S Soltani
International Journal of Mass Spectrometry 377 (SI) 557-567 (2015)

Charge-induced instabilities of droplets containing macromolecular complexes
FA Sheriff, S Consta
Canadian Journal of Chemistry 93 (2) 173-180 (2015)

How do non-covalent complexes dissociate in droplets? A case study of the desolvation of dsDNA from a charged aqueous nanodrop
M Sharawy, S Consta
Physical Chemistry Chemical Physics 17 (38) 25550-25562 (2015)

Effect of counterions on the charging mechanisms of a macromolecule in aqueous nanodrops
M Sharawy, S Consta
Journal of Chemical Physics 141 (10) (2014)

Molecular modeling of the ejection mechanisms of macromolecules from charged droplets
S Consta
Abstracts of Papers of the American Chemical Society 248 (2014)

Interactions between Carbon Nanoparticles in a Droplet of Organic Solvent
M Paliy, S Consta, J Yang
Journal of Physical Chemistry C 118 (29) 16074-16086 (2014)

A study of conformational equilibrium of 1,1,2-trichloroethane in FAU-type zeolites
A Buin, H Wang, S Consta, Y Huang
Microporous and Mesoporous Materials 183 207-217 (2014)

Variation of droplet acidity during evaporation
A Malevanets, S Consta
Journal of Chemical Physics 138 (18) (2013)

Classification of the ejection mechanisms of charged macromolecules from liquid droplets
S Consta, A Malevanets
Journal of Chemical Physics 138 (4) (2013)

Manifestations of Charge Induced Instability in Droplets Effected by Charged Macromolecules
S Consta, A Malevanets
Physical Review Letters 109 (14) (2012)

Release Mechanisms of Poly(ethylene glycol) Macroions from Aqueous Charged Nanodroplets
JK Chung, S Consta
Journal of Physical Chemistry B 116 (19) 5777-5785 (2012)

Friction in a Thin Water Layer: Dissociative versus Nondissociative Friction
M Paliy, OM Braun, S Consta
Journal of Physical Chemistry C 116 (16) 8932-8942 (2012)

Conformational Changes of trans-1,2-Dichlorocyclohexane Adsorbed in Zeolites Studied by FT-Raman Spectroscopy and Molecular QM/MM Simulations
A Buin, J Ma, Y Huang, S Consta, Z Hui
Journal of Physical Chemistry C 116 (15) 8608-8618 (2012)

Controlled release of 5-fluorouracil and progesterone from magnetic nanoaggregates
DM Ragab, S Rohani, S Consta
International Journal of Nanomedicine 7 3167-3189 (2012)

Mechanisms of Phase Transformations of TiO2 Nanotubes and Nanorods
A Buin, S Consta, TK Sham
Journal of Physical Chemistry C 115 (45) 22257-22264 (2011)

Charge-Induced Conformational Changes of PEG-(Na-n(+)) in a Vacuum and Aqueous Nanodroplets
S Consta, JK Chung
Journal of Physical Chemistry B 115 (35) 10447-10455 (2011)

Nanoimmiscibility: Selective Absorption of Liquid Methanol-Water Mixtures in Carbon Nanotubes
Y Liu, S Consta, WA Goddard III
Journal of Nanoscience and Nanotechnology 10 (6 SI) 3834-3843 (2010)

Manifestation of Rayleigh Instability in Droplets Containing Multiply Charged Macroions
S Consta
Journal of Physical Chemistry B 114 (16) 5263-5268 (2010)

Prediction of the Size Distributions of Methanol-Ethanol Clusters Detected in VUV Laser/Time-of-Flight Mass Spectrometry
Y Liu, S Consta, Y Shi, RH Lipson, WA Goddard III
Journal of Physical Chemistry A 113 (25) 6865-6875 (2009)

Geometries and energetics of methanol-ethanol clusters: a VUV laser/time-of-flight mass spectrometry and density functional theory study
Y Liu, S Consta, F Ogeer, YJ Shi, RH Lipson
Canadian Journal of Chemistry 85 (10) 843-852 (2007)

Disintegration mechanisms of charged aqueous nanodroplets studied by simulations and analytical models
K Ichiki, S Consta
Journal of Physical Chemistry B 110 (39) 19168-19175 (2006)

Detecting reaction pathways and computing reaction rates in condensed phase
S Consta
Theoretical Chemistry Accounts 116 (1-3) 373-382 (2006)

The friction properties of an ultrathin confined water film
M Paliy, OM Braun, S Consta
Tribology Letters 23 (1) 7-14 (2006)

Detecting reaction pathways and computing reaction rates in condensed phase
S Consta
Advances in Computational Methods in Sciences and Engineering 2005 Vols 4A-4B 709-712 (2005)

Ordering of a thin lubricant film due to sliding
O Braun, M Paliy, S Consta
Physical Review Letters 92 (25) (2004)

Fragmentation mechanisms of aqueous clusters charged with ions
S Consta, K Mainer, W Novak
Journal of Chemical Physics 119 (19) 10125-10132 (2003)

A spectroscopic and computer simulation study of butanol vapors
G Fanourgakis, Y Shi, S Consta, R Lipson
Journal of Chemical Physics 119 (13) 6597-6608 (2003)

Fragmentation reactions of charged aqueous clusters
S Consta
Journal of Molecular Structure Theochem 591 131-140 (2002)

A 118 nm vacuum ultraviolet laser/time-of-flight mass spectroscopic study of methanol and ethanol clusters in the vapor phase
Y Shi, S Consta, A Das, B Mallik, D Lacey, R Lipson
Journal of Chemical Physics 116 (16) 6990-6999 (2002)

Recoil growth algorithm for chain molecules with continuous interactions
S Consta, T Vlugt, J Hoeth, B Smit, D Frenkel
Molecular Physics 97 (12) 1243-1254 (1999)

Ionization reactions of ion complexes in mesoscopic water clusters
S Consta, R Kapral
Journal of Chemical Physics 111 (22) 10183-10191 (1999)

Recoil growth: An efficient simulation method for multi-polymer systems
S Consta, N Wilding, D Frenkel, Z Alexandrowicz
Journal of Chemical Physics 110 (6) 3220-3228 (1999)

1996 Polanyi Award Lecture Proton reactions in clusters
R Kapral, S Consta, D Laria
Canadian Journal of Chemistry 75 (1) 1-8 (1997)

Dynamics of proton transfer in mesoscopic clusters
S Consta, R Kapral
Journal of Chemical Physics 104 (12) 4581-4590 (1996)

Proton-transfer in mesoscopic, molecular clusters
S Consta, R Kapral
Journal of Chemical Physics 101 (12) 10908-10914 (1994)

Theoretical Calculations on the Electronic States of XEH
I Petsalakis, G Theodorakopoulos, S Consta
Molecular Physics 75 (4) 805-810 (1992)