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1.
Angela R. Williams April J. Angel Kristen L. French Douglas R. Hurst Darrell D. Beckman Charles F. Beam 《合成通讯》2013,43(11):1977-1988
C(a), O-Oximes were dilithiated in excess lithium diisopropylamide, and the resulting intermediates were condensed with lithiated hydroxyphenyl aldehydes and related materials and cyclized with acid to afford 2-[4,5-dihydro-3-aryl-5-isoxazolyl]phenols, substituted 4,5-dihydroisoxazoles (2-isoxazolines). 相似文献
2.
Self-assembled,deterministic carbon nanotube wiring networks 总被引:4,自引:0,他引:4
3.
A challenge for green chemistry: designing molecules that readily dissolve in carbon dioxide 总被引:1,自引:0,他引:1
Beckman EJ 《Chemical communications (Cambridge, England)》2004,(17):1885-1888
Carbon dioxide is a green yet feeble solvent whose full potential won't be realized until we develop a more thorough understanding of its solvent behavior at the molecular level. Fortunately, advances in molecular modeling coupled with experiments are rapidly improving our understanding of CO(2)'s behavior, permitting design of new, more sustainable "CO(2)-philes". 相似文献
4.
5.
Voinov VG Deinzer ML Beckman JS Barofsky DF 《Journal of the American Society for Mass Spectrometry》2011,22(4):607-611
Recently, we demonstrated that a radio-frequency-free electromagnetostatic (rf-free EMS) cell could be retrofitted into a
triple quad mass spectrometer to allow electron-capture dissociation (ECD) without the aid of cooling gas or phase-specific
electron injection into the cell (Voinov et al., Rapid Commun Mass Spectrom 22, 3087–3088, 2008; Voinov et al., Anal Chem 81, 1238–1243, 2009). Subsequently, we used our rf-free EMS cell in the same instrument platform to demonstrate ECD occurring in the same space
and at the same time with collision-induced dissociation (CID) to produce golden pairs and even triplets from peptides (Voinov
et al., Rapid Commun Mass Spectrom 23, 3028–3030, 2009). In this report, we demonstrate that ECD and CID product-ion mass spectra can be recorded at high resolution with flexible
control of fragmentation processes using a newly designed cell installed in a hybrid Q-TOF tandem mass spectrometer. 相似文献
6.
The background for the modelling of radon diffusion release from disordered solids is given and used for the simulation of
emanation thermal analysis results characterizing the annealing of structural irregularities that serve as radon diffusion
paths in the solids. 相似文献
7.
8.
Beckman RA Moreland D Louise-May S Humblet C 《Journal of computer-aided molecular design》2006,20(5):263-279
Nuclear magnetic resonance (NMR) provides structural and dynamic information reflecting an average, often non-linear, of multiple solution-state conformations. Therefore, a single optimized structure derived from NMR refinement may be misleading if the NMR data actually result from averaging of distinct conformers. It is hypothesized that a conformational ensemble generated by a valid molecular dynamics (MD) simulation should be able to improve agreement with the NMR data set compared with the single optimized starting structure. Using a model system consisting of two sequence-related self-complementary ribonucleotide octamers for which NMR data was available, 0.3 ns particle mesh Ewald MD simulations were performed in the AMBER force field in the presence of explicit water and counterions. Agreement of the averaged properties of the molecular dynamics ensembles with NMR data such as homonuclear proton nuclear Overhauser effect (NOE)-based distance constraints, homonuclear proton and heteronuclear 1H–31P coupling constant (J) data, and qualitative NMR information on hydrogen bond occupancy, was systematically assessed. Despite the short length of the simulation, the ensemble generated from it agreed with the NMR experimental constraints more completely than the single optimized NMR structure. This suggests that short unrestrained MD simulations may be of utility in interpreting NMR results. As expected, a 0.5 ns simulation utilizing a distance dependent dielectric did not improve agreement with the NMR data, consistent with its inferior exploration of conformational space as assessed by 2-D RMSD plots. Thus, ability to rapidly improve agreement with NMR constraints may be a sensitive diagnostic of the MD methods themselves. 相似文献
9.
Martyshkin DV Mirov SB Zhuang YX Crow JP Ermilov V Beckman JS 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2003,59(13):3165-3175
A method has been developed for selective detection of the zinc-deficient form of Cu, Zn superoxide dismutase (SOD1) in vitro. Zinc-deficient SOD1 mutants have been implicated in the death of motor neurons leading in amyotrophic lateral sclerosis (ALS or Lou Gerhig's disease). Thus, this method may have applicability for detecting zinc-deficient SOD1 mutants in human ALS patients samples as well as in a transgenic mouse model of ALS and in cultured motor neurons. We determined previously that structural analogs of 1,10 phenanthroline, which react specifically with Cu(I), react with the active Cu(I) of SOD1 when zinc is absent, but not when zinc is also bound, as evidenced by the fact that the reaction is inhibited by pretreatment of the enzyme with zinc. We report herein that bathocuproine, or its water-soluble derivative bathocuproine disulfonate, react with zinc-deficient SOD1 to form a complex which fluoresces at 734 nm when excited at 482 nm. Fluorescent intensity is concentration dependent, thus we propose to use fluorescent confocal microscopy to measure intracellular levels of zinc-deficient SOD1 in situ. 相似文献
10.
We review the principle and some recent applications of Doppler optical coherence tomography (OCT). The advances of the phase-resolved Doppler OCT method are described. Functional OCT algorithms which are based on an extension of the phase-resolved scheme are also introduced. Recent applications of Doppler OCT for quantification of flow, imaging of microvasculature and vocal fold vibration, and optical coherence elastography are briefly discussed. 相似文献