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101.
Katie A. Edwards 《Talanta》2007,71(1):365-372
RNA or DNA aptamers have received much attention in recent literature as therapeutic agents and chromatographic matrices, however, their use in analytical methodologies is relatively unexplored. We describe here investigations aiming to combine this promising technology with versatile liposomes in a competitive assay format. Thus, a phospholipid derivative of an unsymmetrical 1,3-disubstituted xanthine (1-carboxyethyl-3-methylxanthine-DPPE) was prepared for incorporation into the lipid bilayers of dye-encapsulating liposomes. Its synthesis and characterization using GC-MS, 1H NMR, and HPLC are described. Equilibrium filtration experiments using enzyme linked immunosorbent assays (ELISAs) were completed to assess the affinity for theophylline of an unmodified RNA aptamer and one that had been modified on the 3′ end with biotin. A dissociation constant (Kd) for theophylline with the unmodified RNA aptamer of 0.9 μM and biotinylated aptamer of 1.0 μM was determined which showed that this modification did not affect the aptamer's affinity using this technique. The observed Kd values correlated well to the previously reported value of 0.6 μM. Experiments were also carried out in a competitive manner with the prepared 1-carboxypropyl-3-methylxanthine intermediate, and the final 1-carboxypropyl-3-methylxanthine-DPPE conjugate once it had been incorporated into the bilayers of liposomes. The Kd value for 1-carboxypropyl-3-methylxanthine was approximately 2.7 μM. Finally, successful binding to theophylline-analog-tagged liposomes in a competitive assay format was shown versus liposomes prepared without the tag. 相似文献
102.
Lee J. Higham Katie Heslop Paul G. Pringle A. Guy Orpen 《Journal of organometallic chemistry》2004,689(19):2975-2978
Diphosphine 2,2′-bis(di-tert-butylphosphino)methyl)-1,1′-biphenyl (ditbi) is synthesised by the addition of to 2,2′-bis(bromomethyl)-1,1′-biphenyl, followed by deprotection with diethylamine. Treatment of [Rh2Cl2(1,5-cod)2], with ditbi gives [Rh2Cl2(1,5-cod)2(μ-ditbi)] (2) as confirmed by its X-ray crystal structure determination. Hydroformylation of 1-hexene using [Rh(acac)(CO)2]/ditbi as catalyst gave n- and iso-heptanal in a ratio of 1:1. 相似文献
103.
The vibrational spectra of a model phenol-amine proton transfer complex dissolved in CH3Cl solvent confined in a 12 A radius spherical hydrophobic cavity were calculated using mixed quantum-classical molecular dynamics simulations. The reaction free energy of the proton transfer complex was varied in order to explore the contributions to the vibrational absorption band from product and reactant species. The vibrational spectra of the model proton transfer complex resulted in motionally narrowed spectral linewidths with two distinct peaks for products and reactants in cases where the system undergoes chemical exchange. It was found that the n=1 and n=2 vibrational excited states combine to form diabatic states such that the spectra have contributions from both n=0 --> n=1 and n=0 --> n=2 transitions. A strong relationship between the instantaneous vibrational frequency and a collective solvent coordinate was found that assists in understanding the origin of the spectral features. 相似文献
104.
Xin Zhang Jason B. Cross Jan Romero Alexander Heifetz Eric Humphries Katie Hall Yuchuan Wu Sabrina Stucka Jing Zhang Haoqun Chandonnet Blaise Lippa M. Dominic Ryan J. Christian Baber 《Journal of computer-aided molecular design》2018,32(4):573-582
Antagonism of CCR9 is a promising mechanism for treatment of inflammatory bowel disease, including ulcerative colitis and Crohn’s disease. There is limited experimental data on CCR9 and its ligands, complicating efforts to identify new small molecule antagonists. We present here results of a successful virtual screening and rational hit-to-lead campaign that led to the discovery and initial optimization of novel CCR9 antagonists. This work uses a novel data fusion strategy to integrate the output of multiple computational tools, such as 2D similarity search, shape similarity, pharmacophore searching, and molecular docking, as well as the identification and incorporation of privileged chemokine fragments. The application of various ranking strategies, which combined consensus and parallel selection methods to achieve a balance of enrichment and novelty, resulted in 198 virtual screening hits in total, with an overall hit rate of 18%. Several hits were developed into early leads through targeted synthesis and purchase of analogs. 相似文献
105.
Katie Ruffell Dr. Frances R. Smith Michael T. Green Dr. Simon M. Nicolle Dr. Martyn Inman Dr. William Lewis Prof. Dr. Christopher J. Hayes Prof. Dr. Christopher J. Moody 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(55):13703-13708
Diazophosphonates, readily prepared from α-ketophosphonates by oxidation of the corresponding hydrazones in batch or in flow, are useful partners in 1,3-dipolar cycloaddition reactions to alkynes to give N-H pyrazoles, including the first intramolecular examples of such a process. The phosphoryl group imbues a number of desirable properties into the diazo 1,3-dipole. The electron-withdrawing nature of the phosphoryl stabilizes the diazo compound making it easier to handle, whilst the ability of the phosphoryl group to migrate readily in a [1,5]-sigmatropic rearrangement enables its transfer from C to N to aromatize the initial cycloadduct, and hence its facile removal from the final pyrazole product. Overall, the diazophosphonate acts as a surrogate for the much less stable diazoalkane in cycloadditions, with the phosphoryl group playing a vital, but traceless, role. The cycloaddition proceeds more readily with alkynes bearing electron-withdrawing groups, and is regiospecific with asymmetrical alkynes. The potential of diazophosphonates for use in bioorthogonal cycloadditions is demonstrated by their facile addition to strained alkynes. 相似文献
106.
107.
Dr. Xiaoqing Liu Dr. Xiaowen Feng Dr. Katie R. Meihaus Xixi Meng Yuan Zhang Liang Li Prof. Dr. Jun-Liang Liu Prof. Dr. Kasper S. Pedersen Dr. Lukas Keller Prof. Dr. Wei Shi Prof. Dr. Yi-Quan Zhang Prof. Dr. Peng Cheng Prof. Dr. Jeffrey R. Long 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(26):10697-10705
Lanthanide permanent magnets are widely used in applications ranging from nanotechnology to industrial engineering. However, limited access to the rare earths and rising costs associated with their extraction are spurring interest in the development of lanthanide-free hard magnets. Zero- and one-dimensional magnetic materials are intriguing alternatives due to their low densities, structural and chemical versatility, and the typically mild, bottom-up nature of their synthesis. Here, we present two one-dimensional cobalt(II) systems Co(hfac)2(R-NapNIT) (R-NapNIT=2-(2′-(R-)naphthyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide, R=MeO or EtO) supported by air-stable nitronyl nitroxide radicals. These compounds are single-chain magnets and exhibit wide, square magnetic hysteresis below 14 K, with giant coercive fields up to 65 or 102 kOe measured using static or pulsed high magnetic fields, respectively. Magnetic, spectroscopic, and computational studies suggest that the record coercivities derive not from three-dimensional ordering but from the interaction of adjacent chains that compose alternating magnetic sublattices generated by crystallographic symmetry. 相似文献
108.
George J. Moridis Matthew T. Reagan Katie L. Boyle Keni Zhang 《Transport in Porous Media》2011,90(1):269-299
We use the TOUGH+HYDRATE code to assess the production potential of some particularly challenging hydrate deposits, i.e.,
deposits that are characterized by any combination of the following factors: absence of confining boundaries, high thermodynamic
stability, low temperatures, low formation permeability. Using high-resolution grids, we show that a new horizontal well design
using thermal stimulation coupled with mild depressurization yields production rates that appear modest and insufficient for
commercially viable production levels. The use of parallel horizontal wells (with the lower one providing thermal stimulation
through heat addition, direct injection or circulation of warm water, and the upper one producing under a mild depressurization
regime) offers tantalizing possibilities, and has the potential of allowing commercial production from a very large number
of hydrate deposits that are not currently considered as production candidates if the problem of the corresponding large water
production can be solved. 相似文献
109.
Chromatographic separations of synthetic and natural polymers are usually affected by a size exclusion chromatography (SEC) mechanism. Although SEC is a proven method of separation based on hydrodynamic size, a chromatographic method based solely on chemical interactions would present certain advantages. This laboratory has been investigating the use of capillary-channeled polymer (C-CP) fibers as stationary phases in HPLC for the separation of biomacromolecules. C-CP fibers allow highly efficient fluid transport and an amorphous surface structure, minimizing mass transfer effects commonly associated with porous, packed-bed technologies. Choice of the base fiber identity allows flexibility in the potential types of solute-surface interactions. Two water-soluble polymers, glycolic acid ethoxylate 4-nonylphenyl ether, and poly(4-vinylpyridine hydrochloride), were used as test solutes because of their similarities to polymers of interest in the consumer products industry. SEC separation of this pair was not possible due to the similarities in hydrodynamic size. Poly(ethylene terephthalate), polyester and nylon-6 C-CP fibers were evaluated as stationary phase materials. The former was found to offer superior chromatographic separations and recoveries when operating under what would be considered to be typical RP separation conditions: a flow rate of 1?mL/min and gradient of 0-100% H(2)O/ACN with 0.06% TFA over 5?min. 相似文献
110.
Rose M. Pringle Katie Milton Brkich Thomasenia Lott Adams Cirecie West‐Olatunii Diane A. Archer‐Banks 《School science and mathematics》2012,112(4):217-229
Despite recent progress toward gender equity in science and mathematics education, the underachievement of low‐income African American girls remains a challenge when compared with their white counterparts. Furthermore, the causes of this persistent underachievement have not been explored thoroughly. We have initiated a three‐year longitudinal study of how African American girls position themselves in relation to science and mathematics learning from fifth to seventh grade, including the impact, if any, of the positioning of teachers, counselors, and parents on this process. In this article, we share findings examining science and mathematics teachers' actions and perceptions and their positioning of African American girls. This qualitative study used an interpretive design with multiple data sources including classroom observations, interviews, and field notes. Findings reveal that school‐wide policies and teachers' autonomous decisions impact the regularity of science and mathematics instruction, and that teachers do not always conceptualize the girls as science and mathematics achievers, positioning them in negative ways. 相似文献