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21.
Seshulatha Jamalapuram Pradeep Kumar Vuppala Ahmed H. Abdelazeem Christopher R. McCurdy Bonnie A. Avery 《Biomedical chromatography : BMC》2013,27(8):1034-1040
Methamphetamine abuse continues as a major problem in the USA owing to its powerful psychological addictive properties. AZ66, 3‐[4‐(4‐cyclohexylpiperazine‐1‐yl)pentyl]‐6‐fluorobenzo[d]thiazole‐2(3H)‐one, an optimized sigma receptor ligand, is a promising therapeutic agent against methamphetamine. To study the in vivo pharmacokinetics of this novel sigma receptor ligand in rats, a sensitive ultra‐performance liquid chromatography/tandem mass spectrometry (UPLC/MS/MS) method was developed in rat plasma and validated. The developed method requires a small volume of plasma (100 μL) and a simple liquid–liquid extraction. The chromatographic separations were achieved in 3.3 min using an Acquity UPLC BEH Shield RP18 column. The mass spectrophotometric detection was carried out using a Waters Micromass Quattro MicroTM triple‐quadrupole system. Multiple reaction monitoring was used for the quantitation with transitions m/z 406 → m/z 181 for AZ66 and m/z 448 → m/z 285 for aripiprazole. The method was validated over a concentration range of 1–3500 ng/mL and the lower limit of quantitation was determined to be 1 ng/mL. Validation of the assay demonstrated that the developed UPLC/MS/MS method was sensitive, accurate and selective for the determination of AZ66 in rat plasma. The present method has been successfully applied to an i.v. pharmacokinetic study in Sprague–Dawley rats. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
22.
Rei Matsuzaki Shigeko Asai C. William McCurdy Satoshi Yabushita 《Theoretical chemistry accounts》2014,133(9):1-12
The goals of electronic structure theory are to make quantitative predictions of molecular properties and to provide qualitative insight into bonding as well as features of potential energy surfaces. Oftentimes, the two goals are at odds as an accurate treatment requires a complicated wave function that obscures chemical insight. The multifacet graphically contracted function (MFGCF) method offers a new approach that allows both goals to be addressed simultaneously. The recursive product structure of the MFGCF wave function reduces the exponential scaling of the exact wave function and allows the computation of molecular properties with polynomial scaling with respect to system size. Additionally, the graph density concept provides an intuitive tool for visualizing and analyzing the qualitative features of the wave function. In this work, the graph densities for model systems are examined to demonstrate their utility in analyzing the changes in wave function character along potential energy surfaces and near avoided crossings. Finally, we demonstrate that the graph density exposes the structure of the exact wave function for a system of noninteracting molecules as a product of the fragment wave functions. 相似文献
23.
A light-controlled reversible binding switch based on photochromic 3H-naphtho[2,1-b]pyran is under development for studying cellular oscillatory calcium signals. The binding affinities of the closed and open forms of substituted naphthopyran 1 for Ca(2+), Mg(2+), and Sr(2+) in buffer were determined. The photochemically ring-opened form of the receptor exhibited increased affinity compared to the thermally stable closed form of the receptor. The binding affinity difference for Ca(2+) was approximately 77-fold at pH 7.6. 相似文献
24.
McCurdy A.H. Plewa J.S. 《IEEE transactions on plasma science. IEEE Nuclear and Plasma Sciences Society》1992,20(3):139-148
An analysis is made of temporal evolution of electromagnetic modes in a two-mode gyrotron oscillator characterized by phase and amplitude interaction through the terms linear in the oscillator power. The problem is solved in the context of amplitudes and phases which vary slowly compared with the period of oscillation. Specific reference is made to competition between TE11q modes in a closed cavity gyrotron. Qualitative features which are found include phase locking, beat frequencies, periodic pulling, and mode excitation. This work has applicability when the frequency separation between the modes is on the order of the frequency bandwidth of each mode, or the modes are equally spaced in frequency. Gyrotrons of this type include those with low-quality-factor modes or degenerate modes. Phase interaction in the case of equally spaced cavity modes is of importance in analyzing mode-locking phenomena 相似文献
25.
D. E. McCurdy L. E. Kuruvilla L. E. Fiske Ch. J. Bianconi 《Journal of Radioanalytical and Nuclear Chemistry》1998,233(1-2):29-37
Site remediation projects dealing with uranium, thorium or radium require the services of a radioassay laboratory during the
site characterization, remediation and final site survey/verification phases. In the U.S., regulatory agencies and industry
guidelines recommend that the remediation contractor conduct an external laboratory QC program to ensure the quality of the
analytical results. The commercial availability of certified natural soil matrices is extremely limited not only by nuclide
and nuclide concentration but also by soil type. In most cases, the applicability of these materials for an external QC program
is questionable since the chemical constituents of the certified soil may not be representative of the remediation soil type.
Also, such materials are typically only suitable as single blind performance evaluation (PE) samples. The Yankee Atomic Environmental
Laboratory (YAEL) has characterized soil materials from several uranium mining and milling sites for use in two laboratory
PE programs. The site specific PE materials were prepared in accordance with their intended use and quality performance requirements.
One PE material was dried, pulverized to a particle size of approximately 10 microns and homogeneously blended. The second
PE material (total of 1,024 kg) was methodically field blended and aliquoted to produce 1,000 separate homogeneous 1 kg samples.
Both PE materials were characterized for radionuclide concentration and heterogeneity or sample distribution. A summary of
the characterization studies of the different PE materials as well as the quality performance criteria developed for evaluating
the laboratory's performance and the advantages and disadvantages of using each PE material will be discussed and summarized. 相似文献
26.
Spirohydantoins are considered privileged structures, making them attractive for the preparation of compound libraries with the potential for diverse biological activity. However, very few modifications of this scaffold have been reported to date. The spirohydantoin template was elaborated into a library of 168 compounds through a two-step solution-phase parallel synthesis starting from various N-substituted piperidinones. The Strecker reaction was employed to generate alpha-amino nitriles from aniline and TMSCN (or KCN). Subsequent reaction of the anilido nitrogen with a diverse set of isocyanates, followed by refluxing under acidic conditions, afforded the title library in high yield and purity. 相似文献
27.
Jacques H. Poupaert Sandro Duarte Evelina Colacino Patrick Depreux Christopher R. McCurdy Didier L. Lambert 《Phosphorus, sulfur, and silicon and the related elements》2013,188(10):1959-1973
The Willgerodt-Kindlerreaction was applied to a series of aromatic aldehydes and ketones. The reactions were performed in a dipolar aprotic solvent (mainly DMF) in the presence of a base catalyst (4-methylmorpholine) and utilized microwave (mw) irradiation. The pulsed mw technique rather than the continuous irradiation was preferred because it limited side reactions and hydrogen sulfide production. While not always superior to the thermal activation of the reaction, the procedure involving repetitive short pulses of microwave irradiation was found to be faster and result in consistently cleaner products. The technique can be easily applied in a fast parallel synthesis process. 相似文献
28.
Background
The 5-HT3 receptor is a member of a neurotransmitter-gated ion channel family which includes nicotinic acetylcholine, GABAA, and glycine receptors. While antibodies specific for the 5-HT3A receptor subunit are plentiful, and have revealed a wealth of structural and functional information, few antisera exist for the detection of 5-HT3B receptor subunits. Here we describe the generation and characterisation of a rabbit polyclonal antiserum that specifically recognises 5-HT3B receptor subunits 相似文献29.
Gary E. Arevalo David A. Cagan Charlotte G. Monsour Arman C. Garcia Alison McCurdy Matthias Selke 《Photochemistry and photobiology》2020,96(6):1200-1207
We investigated the effect of the cation-π interaction on the susceptibility of a tryptophan model system toward interaction with singlet oxygen, that is, type II photooxidation. The model system consists of two indole units linked to a lariat crown ether to measure the total rate of removal of singlet oxygen by the indole units in the presence of sodium cations (i.e. indole units subject to a cation-π interaction) and in the absence of this interaction. We found that the cation-π interaction significantly decreases the total rate of removal of singlet oxygen (kT) for the model system, that is, (kT = 2.4 ± 0.2) × 108 m −1 s−1 without sodium cation vs (kT = 6.9 ± 0.9) × 107 m −1 s−1 upon complexation of sodium cation to the crown ether. Furthermore, we found that the indole moieties undergo type I photooxidation processes with triplet excited methylene blue; this effect is also inhibited by the cation-π interaction. The chemical rate of reaction of the indole groups with singlet oxygen is also slower upon complexation of sodium cation in our model system, although we were unable to obtain an exact ratio due to differences of the chemical reaction rates of the two indole moieties. 相似文献
30.
The reactivity of the 2,2′-, 2,4′-, 4,4′-dibenzyldiisocyanate (2,2′-, 2,4′-, 4,4′-DBDI) with n-butanol in benzene has been studied. The concentrations of all species were monitored by using high performance liquid chromatography (HPLC). The reactivity of 4,4′-DBDI is similar to that of 4,4′-diphenylmethanediisocyanate (4,4′-MDI). Very strong intramolecular catalytic effects were noticed in the case of 2,2′-DBDI, probably due to the variable molecular geometry. These effects are responsible for the whole reaction pattern. The 2,4′-DBDI NCO ortho and para groups reactivities are different and comparable to that of 2,4-toluylenediisocyanate (2,4-TDI). 相似文献