A5087372142- Library Science and Information Literacy
- Library Science and Administration
- Library Collection Development and Digital Resources
- Advanced NMR Techniques and Applications
- Web and Library Services
- Analytical Chemistry and Chromatography
- Drug Solubulity and Delivery Systems
- NMR spectroscopy and applications
- Advanced MRI Techniques and Applications
- Advanced Chemical Sensor Technologies
- Pesticide Exposure and Toxicity
- Chemical Synthesis and Characterization
- Mass Spectrometry Techniques and Applications
- Pesticide and Herbicide Environmental Studies
- Graphene research and applications
- Pain Mechanisms and Treatments
- Polymer Nanocomposites and Properties
- Conducting polymers and applications
- Mycotoxins in Agriculture and Food
- Polymer composites and self-healing
- Polymer crystallization and properties
- Chemical Reaction Mechanisms
- Electron Spin Resonance Studies
- Chemical Synthesis and Reactions
- Spectroscopy and Chemometric Analyses
Lawrence Livermore National Laboratory
2013-2024
Lawrence Livermore National Security
2023-2024
University of Florida
2019
Campbell Soup (United States)
2015
University of California, Berkeley
2008-2009
Rockefeller University
1992
We report the synthesis of a three-dimensional (3D) macroassembly graphene sheets with electrical conductivity (∼10(2) S m(-1)) and Young's modulus (∼50 MPa) orders magnitude higher than those previously reported, super-compressive deformation behavior (∼60% failure strain), surface areas (>1300 m(2) g(-1)) approaching theoretically maximum values.
The alternate and optimized syntheses of the parent opioid fentanyl its analogs are described. routes presented exhibit high-yielding transformations leading to these powerful analgesics after optimization studies were carried out for each synthetic step. general three-step strategy produced a panel four fentanyls in excellent yields (73-78%) along with their more commonly encountered hydrochloride citric acid salts. following offers opportunity gram-scale, efficient production this...
Attribution of the origin an illicit drug relies on identification compounds indicative its clandestine production and is a key component many modern forensic investigations. The results these studies can yield detailed information method manufacture, starting material source, final product, all critical evidence. In present work, chemical attribution signatures (CAS) associated with synthesis analgesic fentanyl, N-(1-phenylethylpiperidin-4-yl)-N-phenylpropanamide, were investigated. Six...
Abstract Cyclodextrins (CDs) have been previously shown to display modest equilibrium binding affinities ( K a ~ 100–200 M -1 ) for the synthetic opioid analgesic fentanyl. In this work, we describe synthesis of new CDs possessing extended thioalkylcarboxyl or thioalkylhydroxyl moieties and assess their affinity towards fentanyl hydrochloride. The optimal CD studied displays remarkable = 66,500 −1 , largest value reported such an inclusion complex date. One dimensional 1 H Nuclear Magnetic...
The Src homology 2 (SH2) domain is a recognition motif thought to mediate the association of cytoplasmic proteins involved in signal transduction by binding phosphotyrosyl-containing sequences proteins. Assignments nearly all 1H and 15N resonances SH2 from c-Abl protein-tyrosine kinase have been obtained homonuclear heteronuclear NMR experiments. secondary structure has elucidated pattern nuclear Overhauser effects, vicinal coupling constants, observation slowly exchanging amino hydrogens....
It is well established that many fundamental properties of polymer materials are directly governed by chain dynamics, and both experimental computational efforts to probe this motional spectrum have been manifold. Recently, multiple quantum (MQ) nuclear magnetic resonance (NMR) has afforded the capability extract meaningful quantities from such measurements, namely, an effective molecular weight distribution between various topological constraints (cross-links, entanglements, etc.). We...
Cyclodextrins (CDs) are investigated for their ability to form inclusion complexes with the analgesic fentanyl and three similar molecules: acetylfentanyl, thiofentanyl, acetylthiofentanyl. Stoichiometry, binding strength, complex structure revealed through nuclear magnetic resonance (NMR) techniques discussed in terms of molecular dynamics (MD) simulations. It was found that β-cyclodextrin is generally capable forming strongest panel. Two-dimensional NMR data computational chemical...
The ability of the cyclodextrin-oxime construct 6-OxP-CD to bind and degrade nerve agents Cyclosarin (GF), Soman (GD) S -[2-[Di(propan-2-yl)amino]ethyl] O -ethyl methylphosphonothioate (VX) has been studied using 31 P-nuclear magnetic resonance (NMR) under physiological conditions. While was found GF instantaneously these conditions, it form an inclusion complex with GD significantly improve its degradation (t 1/2 ~ 2 hrs) relative over background 22 hrs). Consequently, effective formation...
Subetadex-α-methyl (SBX-Me), a modified, polyanionic cyclodextrin scaffold, has been evaluated for its utilization as medical countermeasure (MCM) to neutralize the effects of fentanyl and related opioids. Initial in vitro toxicity assays demonstrate that SBX-Me nontoxic profile, comparable FDA-approved cyclodextrin-based drug Sugammadex. Pharmacokinetic analysis showed rapid clearance with an elimination half-life ∼7.4 h little accumulation major organs. was also ability counteract...
The statistical methodology of population balance (PB) has been applied in order to predict the effects cross-linking and chain-scissioning induced by ionizing radiation on distribution molecular weight between cross-links (MWBC) a siloxane-based elastomer. Effective distributions were extracted from quantification residual dipolar couplings via multiple quantum nuclear magnetic resonance (MQ-NMR) measurements are taken reflect actual MWBC distributions. PB is then unirradiated considers...
Organophosphorus compounds represent a large class of molecules that include pesticides, flame-retardants, biologically relevant molecules, and chemical weapons agents (CWAs). The detection identification organophosphorus particularly in the cases pesticides CWAs, are paramount to verification international treaties by various organizations. To end, novel analytical methodologies can provide additional support traditional analyses important for unambiguous these compounds. We have developed...
The binding stoichiometry, strength and structure of inclusion complexes formed between the neurotoxin tetramethylenedisulfotetramine (TETS) both native modified cyclodextrins (CyDs) were investigated using nuclear magnetic resonance (NMR) spectroscopy. Of all six examined cases, β ‐cyclodextrin ( ‐CyD) its chemically counterpart heptakis‐(2,3,6‐tris‐(2‐hydroxypropyl))‐ (2HP‐ found to associate most strongly with TETS as reflected in magnitude their constants K = 537 ± 26 M −1 for ‐CyD 514...
While a significant body of work exists on the detection commonly known trichothecene toxins, biological, environmental, and other transformational processes can generate many under-characterized unknown modified trichothecenes. Lacking both analytical reference standards associated mass spectral databases, identification these compounds reflects challenge critical gap from forensic public health perspectives. We report here application machine learning (ML) techniques toward discriminative...