Colorado State University

Recent papers

Toward rational design of supported vanadia catalysts of lignin conversion to phenol
Chemical Engineering Journal 2022, 446.
A comprehensive experimental and kinetic modeling study of di-isobutylene isomers: Part 1
Combustion and Flame 2022.
A comprehensive experimental and kinetic modeling study of di-isobutylene isomers: Part 2
Combustion and Flame 2022.
Chemical kinetic basis of synergistic blending for research octane number
Fuel 2022, 307.
Connecting cation site location to alkane dehydrogenation activity in Ni/BEA catalysts
Journal of Catalysis 2022, 413, 264–273.
Sooting tendencies of terpenes and hydrogenated terpenes as sustainable transportation biofuels
Proceedings of the Combustion Institute 2022.
Enhancing π-sensitivity of ignition delay times through dilution of fuel-air mixture
Proceedings of the Combustion Institute 2022.
Physics-informed graph neural networks for predicting cetane number with systematic data quality analysis
Proceedings of the Combustion Institute 2022.
Predicting Catalytic Pyrolysis Aromatic Selectivity from Pyrolysis Vapor Composition Using Mass Spectra Coupled with Statistical Analysis
ACS Sustainable Chemistry and Engineering 2022, 10 (1), 234–244.
Bioderived ether design for low soot emission and high reactivity transport fuels
Sustainable Energy and Fuels 2022, 6 (17), 3975–3988.
Single-molecule phospholipase A 2 becomes processive on melittin-induced membrane deformations
Biophysical Journal 2022, 121 (8), 1417–1423.
Understanding how chemical structure affects ignition-delay-time ϕ-sensitivity
Combustion and Flame 2021, 225, 377–387.
Elucidating the chemical pathways responsible for the sooting tendency of 1 and 2-phenylethanol
Proceedings of the Combustion Institute 2021, 38 (1), 1327–1334.
Investigation of structural effects of aromatic compounds on sooting tendency with mechanistic insight into ethylphenol isomers
Proceedings of the Combustion Institute 2021, 38 (1), 1143–1151.
Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties
Accounts of Chemical Research 2021, 54 (4), 827–836.
Coupled membrane lipid miscibility and phosphotyrosine-driven protein condensation phase transitions
Biophysical Journal 2021, 120 (7), 1257–1265.
Raf promotes dimerization of the Ras G-domain with increased allosteric connections
Proceedings of the National Academy of Sciences of 2021, 118 (10).
EphrinB2 clustering by Nipah virus G is required to activate and trap F intermediates at supported lipid bilayer-cell interfaces
Science Advances 2021, 7 (5).
Diffusion-based determination of protein homodimerization on reconstituted membrane surfaces
BMB Reports 2021, 54 (3), 157–163.
In-situ hydrogenation of bio-oil/bio-oil phenolic compounds with secondary alcohols over a synthesized mesoporous Ni/CeO 2 catalyst
Chemical Engineering Journal 2020, 382.
Towards quantitative prediction of ignition-delay-time sensitivity on fuel-to-air equivalence ratio
Combustion and Flame 2020, 214, 103–115.
A perspective on biomass-derived biofuels: From catalyst design principles to fuel properties
Journal of Hazardous Materials 2020, 400.
Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations to Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers
Journal of Physical Chemistry A 2020, 124 (21), 4290–4304.
Prediction of hydroxymethylfurfural yield in glucose conversion through investigation of lewis acid and organic solvent effects
ACS Catalysis 2020, 10 (24), 14707–14721.
Isotopic studies for tracking biogenic carbon during co-processing of biomass and vacuum gas oil
ACS Sustainable Chemistry and Engineering 2020, 8 (7), 2652–2664.
Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost
Nature Communications 2020, 11 (1).
Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost (Nature Communications, (2020), 11, 1, (2328), 10.1038/s
Nature Communications 2020, 11 (1).
Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules
Scientific Data 2020, 7 (1).
Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen
Green Chemistry 2020, 22 (8), 2403–2418.
Sooting tendencies of co-optima test gasolines and their surrogates
Proceedings of the Combustion Institute 2019, 37 (1), 961–968.
Experimental and theoretical insight into the soot tendencies of the methylcyclohexene isomers
Proceedings of the Combustion Institute 2019, 37 (1), 1083–1090.
Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate
Proceedings of the Combustion Institute 2019, 37 (1), 419–428.
Development of a Data-Derived Sooting Index including Oxygen-Containing Fuel Components
Energy and Fuels 2019, 33 (10), 10290–10296.
Tailoring diesel bioblendstock from integrated catalytic upgrading of carboxylic acids: A "fuel property first" approach
Green Chemistry 2019, 21 (21), 5813–5827.
Performance-advantaged ether diesel bioblendstock production by a priori design
Proceedings of the National Academy of Sciences of 2019, 116 (52), 26421–26430.
Theoretical determination of size effects in zeolite-catalyzed alcohol dehydration
Catalysts 2019, 9 (9).
Switch-like activation of Bruton’s tyrosine kinase by membrane-mediated dimerization
Proceedings of the National Academy of Sciences of 2019, 166 (22), 10798–10803.
A molecular assembly phase transition and kinetic proofreading modulate Ras activation by SOS
Science 2019, 363 (6431), 1098–1103.
Advancing catalytic fast pyrolysis through integrated multiscale modeling and experimentation: Challenges, progress, and perspectives
Wiley Interdisciplinary Reviews: Energy and Environment 2018, 7 (4).
Diffusion of aromatic hydrocarbons in hierarchical mesoporous H-ZSM-5 zeolite
Catalysis Today 2018, 312, 73–81.
Measuring and predicting sooting tendencies of oxygenates, alkanes, alkenes, cycloalkanes, and aromatics on a unified scale
Combustion and Flame 2018, 190, 349–364.
Experimental and theoretical study of oxidative stability of alkylated furans used as gasoline blend components
Fuel 2018, 212, 576–585.
Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research
ACS Catalysis 2018, 8 (2), 770–784.
Different Behaviors of a Substrate in P450 Decarboxylase and Hydroxylase Reveal Reactivity-Enabling Actors
Scientific Reports 2018, 8 (1).
Improving biomass pyrolysis economics by integrating vapor and liquid phase upgrading
Green Chemistry 2018, 20 (3), 567–582.
Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition
FEBS Journal 2018, 285 (12), 2225–2242.
K-Ras4B Remains Monomeric on Membranes over a Wide Range of Surface Densities and Lipid Compositions
Biophysical Journal 2018, 114 (1), 137–145.
Spatiomechanical Modulation of EphB4-Ephrin-B2 Signaling in Neural Stem Cell Differentiation
Biophysical Journal 2018, 115 (5), 865–873.
mTORC1 Controls Phase Separation and the Biophysical Properties of the Cytoplasm by Tuning Crowding
Cell 2018, 174 (2).

더보기