Search Results - "Klein, Michael T."
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A new approach for studying GPCR dimers: drug-induced inactivation and reactivation to reveal GPCR dimer function in vitro, in primary culture, and in vivo
Published in Pharmacology & therapeutics (Oxford) (01-02-2012)“…GPCRs are a major family of homologous proteins and are key mediators of the effects of numerous endogenous neurotransmitters, hormones, cytokines, therapeutic…”
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2
A Hybrid Regression Model for Day-Ahead Energy Price Forecasting
Published in IEEE access (2019)“…Accurate forecast of the hourly spot price of electricity plays a vital role in energy trading decisions. However, due to the complex nature of the power…”
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3
Approaches and Software Tools for Modeling Lignin Pyrolysis
Published in Energy & fuels (21-01-2010)“…The integration of the Attribute Reaction Modeling approach with the CompGen and KME kinetic modeling tools is described through the development of a kinetic…”
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4
Clozapine and other competitive antagonists reactivate risperidone-inactivated h5-HT7 receptors: radioligand binding and functional evidence for GPCR homodimer protomer interactions
Published in Psychopharmacologia (01-12-2010)“…Rationale The h5-HT 7 receptor is subject to inactivation by risperidone and 9-OH-risperidone, apparently through a pseudo-irreversible complex formed between…”
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5
Catalytic Cracking of Light Crude Oil to Light Olefins and Naphtha over E‑Cat and MFI: Microactivity Test versus Advanced Cracking Evaluation and the Effect of High Reaction Temperature
Published in Energy & fuels (17-05-2018)“…The catalytic cracking of light paraffinic crude oil with an API gravity of 51° was compared using two laboratory testing techniques, a fixed-bed microactivity…”
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6
Catalytic Upgrading of Light Naphtha to Gasoline Blending Components: A Mini Review
Published in Energy & fuels (16-05-2019)“…The upgrading of light naphtha (C5–C6 stream) to gasoline blending components has been the subject of intensive research at both academic and industrial…”
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7
Computer aided kinetic modeling with KMT and KME
Published in Fuel processing technology (01-04-2008)“…The complexity of many chemical and refining reaction systems and the thus-derived tedious and time-consuming process of building the associated kinetic models…”
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8
Solvent Effects for the Hydrolysis Reaction of Dibenzyl ether in Supercritical Water: A Combined Density Functional Theory and Molecular Dynamics Simulation Study
Published in Energy & fuels (19-12-2019)“…The kinetics of the hydrolysis of heavy hydrocarbons in supercritical water were probed using density function theory (DFT) and molecular dynamics (MD)…”
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9
Molecular-Level Kinetic Modeling of Lube Base Oil Hydroisomerization
Published in Energy & fuels (20-09-2018)“…A molecular-level kinetic model was constructed for the hydroisomerization/hydrocracking of a hydrotreated deasphalted oil feed. A kinetic network was…”
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10
Generating Data-Driven Models from Molecular-Level Kinetic Models: A Kinetic Model Speedup Strategy
Published in Energy & fuels (17-10-2019)“…Strategies to reduce the computer time to access the information in molecular-level kinetic models (MLKMs) were evaluated. A triglyceride hydroprocessing MLKM…”
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11
Attribute-Based Modeling of Resid Structure and Reaction
Published in Industrial & engineering chemistry research (18-02-2009)“…An attribute-based approach to modeling resid structure and reaction is described. Monte Carlo simulation of feedstock structure casts the modeling problem in…”
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12
Molecular-Level Kinetic Modeling of a Real Vacuum Gas Oil Hydroprocessing Refinery System
Published in Energy & fuels (17-10-2019)“…A molecular-level kinetic model was constructed for a vacuum gas oil hydroprocessing unit. The feedstock molecule selection was based on typical arrangements…”
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13
Density Functional Theory Probe of the Hydrolysis of Heavy Hydrocarbon Structural Moieties in Supercritical Water
Published in Energy & fuels (16-08-2018)“…The thermochemistry and kinetics of hydrolysis in supercritical water were probed using density function theory (DFT). Four molecules (propane, dimethyl ether,…”
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14
Delplot-Compliant Data: Molecular Observables versus Reaction Intermediates
Published in Energy & fuels (17-12-2020)“…The Delplot analysis for reaction network elucidation involves the use of measured species and their yields as a function of reactant species. Highly reactive…”
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15
Molecular-Level Kinetic Modeling of Triglyceride Hydroprocessing
Published in Energy & fuels (15-08-2019)“…A molecular-level kinetic model was developed for triglyceride hydroprocessing. Triglyceride molecules were defined on the basis of the 8–22 carbon fatty acids…”
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16
Targeting Selective Activation of M1 for the Treatment of Alzheimer’s Disease: Further Chemical Optimization and Pharmacological Characterization of the M1 Positive Allosteric Modulator ML169
Published in ACS chemical neuroscience (18-07-2012)“…The M1 muscarinic acetylcholine receptor is thought to play an important role in memory and cognition, making it a potential target for the treatment of…”
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Molecular-Level Kinetic Model for C12 Continuous Catalytic Reforming
Published in Energy & fuels (21-06-2018)“…A detailed kinetic model for a continuous catalytic reforming (CCR) process was developed. The model included 447 naphtha molecules (C1–C12) that underwent…”
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18
Molecule-based modeling of heavy oil
Published in Science China. Chemistry (01-07-2013)“…A molecular-level kinetics model has been developed for the pyrolysis of heavy residual oil. Resid structure was modeled in terms of three attribute groups:…”
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19
Influence of Reaction Reversibility on the Interpretation of Delplots of the Parallel-Series Reaction Network
Published in Energy & fuels (21-02-2019)“…The use of the Delplot analysis to interpret the experimental results from the parallel-series reaction network A → k 1 B → k 3 C ; A → k 2 D under the…”
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20
A New Extended Structural Parameter Set for Stochastic Molecular Reconstruction: Application to Asphaltenes
Published in Energy & fuels (17-08-2017)“…The modeling of complex hydrocarbon mixtures is a current issue. The presently available analytical techniques are insufficient alone to fully characterize the…”
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