A5001934807- Neurotransmitter Receptor Influence on Behavior
- Neuroscience and Neuropharmacology Research
- Amino Acid Enzymes and Metabolism
- Inorganic Fluorides and Related Compounds
- Various Chemistry Research Topics
- Metabolism and Genetic Disorders
- Advanced Chemical Physics Studies
- Inorganic and Organometallic Chemistry
- Pharmacological Effects and Toxicity Studies
- Atmospheric Ozone and Climate
- Cannabis and Cannabinoid Research
- Pharmacological Receptor Mechanisms and Effects
- Stress Responses and Cortisol
- Molecular Spectroscopy and Structure
- Crystallography and molecular interactions
- Free Radicals and Antioxidants
- Synthesis and characterization of novel inorganic/organometallic compounds
- Electroconvulsive Therapy Studies
- Scientific Computing and Data Management
- Parkinson's Disease Mechanisms and Treatments
- Receptor Mechanisms and Signaling
- Diabetes Treatment and Management
- Probiotics and Fermented Foods
- Chemistry and Chemical Engineering
- Machine Learning in Materials Science
Cornell University
2025
University of Georgia
2019-2024
Rosalind Franklin University of Medicine and Science
1984-2012
Freie Universität Berlin
2009
Illinois Department of Human Services
2000
FrontLine Service
2000
Jesse Brown VA Medical Center
1987-1993
Diamond Headache Clinic
1984-1989
Loyola University Chicago
1985
Shriners Hospitals for Children - Chicago
1984
A hierarchical ab initio benchmark up to CCSDT(Q)/CBS in combination with a DFT performance study reveals meta-hybrid M06-2X functional as the best performing for accurately describing pericyclic reactions.
MK-801, a non-competitive antagonist at the N-methyl-D-aspartate (NMDA) subtype of central glutamate receptor, stimulates locomotor activity in rats. Administration MK-801 (0.25mg/kg, i.p.) on four consecutive days results progressive sensitization its stimulatory effects. Because importance dopamine (DA) systems to other stimulants (e.g. amphetamine and cocaine), we examined possible role DA transmission sensitization. The D1 SCH 23390 was used for these experiments because well-established...
Hypohalous acids (HOX) are a class of molecules that play key role in the atmospheric seasonal depletion ozone and have ability to form both hydrogen halogen bonds.
The reactions between substituted isocyanates (RNCO) and other small molecules ( e.g. water, alcohols, amines) are of significant industrial importance, particularly for the development novel polyurethanes useful polymers.
Formic acid (FA) is a ubiquitous molecule found in the atmosphere, and relevant to many important processes. The FA generally exists as trans isomer, which can decompose into H2O CO (dehydration). It also exist less favorable cis isomer H2 CO2 (decarboxylation). Our work examines complexes formed between each of with water. We present geometries vibrational frequencies obtained at reliable CCSD(T)/aug-cc-pVTZ level theory for seven FAwater complexes. utilize focal point method determine...
Pnictinidenes are an increasingly relevant species in main group chemistry and generally exhibit proclivity for the triplet electronic ground state. However, elusive singlet states often desired chemical applications. We predict singlet-triplet energy differences (ΔEST =ESinglet -ETriplet ) of simple 15 16 substituted pnictinidenes (Pn-R; Pn=P, As, Sb, or Bi) with highly reliable focal-point analyses targeting CCSDTQ/CBS level theory. The only cases we to have favorable P-PH2 (-3.2 kcal...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTInvert Soaps. Quaternary Salts of Long Chain Morpholine EthersJ. B. Niederl, M. Wolf, and E. SlobodianskyCite this: J. Am. Chem. Soc. 1945, 67, 7, 1227–1228Publication Date (Print):July 1, 1945Publication History Published online1 May 2002Published inissue 1 July 1945https://pubs.acs.org/doi/10.1021/ja01223a508https://doi.org/10.1021/ja01223a508research-articleACS PublicationsRequest reuse permissionsArticle Views39Altmetric-Citations2LEARN ABOUT...
This research presents an ab initio characterization of the potential energy surface for methylamine plus 1D oxygen atom reaction, which may be relevant to interstellar chemistry. Geometries and harmonic vibrational frequencies were determined all stationary points at CCSD(T)/aug-cc-pVTZ level theory. The focal point method along with several additive corrections was used obtain reliable CCSDT(Q)/CBS features. Extensive conformational analysis intrinsic reaction coordinate computations...
Over the past half century, computational chemistry has evolved from a niche field to ubiquitous pillar of modern chemical research. Driven by increased demand for in research settings, undergraduate curriculum alongside ensure that students are well-equipped Toward this end, many excellent exercises have been developed aim teach what kinds questions can answer and how properly interpret results. However, there far less attention given complexities determining reliable results constraining...
Recent experimental research by Cummins and co-workers has established the existence of a tetrahedrane molecule with one CH moiety replaced phosphorus. We present here first theoretical studies entire Pn(CH)3 (Pn = N, P, As, Sb, Bi) class molecules. Geometries are obtained at highly reliable CCSD(T)/aug-cc-pwCVTZ(-PP) level theory. Harmonic vibrational frequencies determined analyzed to confirm nature each stationary point provide helpful findings that may aid in detection species. Most...
Human p97 ATPase is crucial in various cellular processes, making it a target for inhibitors to treat cancers, neurological, and infectious diseases. Triazole allosteric have been demonstrated match the efficacy of CB-5083, an ATP-competitive inhibitor, models. However, mechanism not well understood. This study systematically investigates structures new triazole bound both wild-type disease mutant forms measures their effects on function. These bind at interface D1 D2 domains each subunit,...