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1.
Thorsteinn Loftsson Ína B. Össurardóttir Thorsteinn Thorsteinsson Matt Duan Már Másson 《Journal of inclusion phenomena and macrocyclic chemistry》2005,52(1-2):109-117
The natural β-cyclodextrin (βCD) and its complexes have limited solubility in aqueous solutions. This low aqueous solubility, as well as low aqueous solubility of the guest molecule (i.e. triclosan or triclocarban (TCC)), can result in low complexation efficiency (CE). The purpose of this study was to enhance the apparent intrinsic solubility (S
0) of the guest molecule and its βCD complexes through ionization and addition of auxiliary compounds such as polymers, amino acids and metal ions. Both triclosan (pK
a
7.9) and TCC (pK
a
12.7) are weak acids. Addition of ethanol to the complexation medium enhanced S
0 of both triclosan and TCC but at the same time ethanol lowered the stability constant (K
c
) of their βCD complexes resulting in overall lowering of CE. Addition of small amount of water-soluble polymers enhanced the βCD solubilization of both guests, and addition lysine enhanced the solubilization of TCC. Ionization of triclosan resulted in significant enhancement of CE and enhanced triclosan release from tablets containing triclosan/βCD complex. The effect of ionization was not as pronounced in the case of TCC.This revised version was published online in July 2005 with a corrected issue number. 相似文献
2.
Antibacterial activity of methylated chitosan and chitooligomer derivatives: Synthesis and structure activity relationships 总被引:1,自引:0,他引:1
Ögmundur Vidar Rúnarsson Tapio Nevalainen Tomi Järvinen Jón M. Einarsson Margrét Valdimarsdóttir 《European Polymer Journal》2007,43(6):2660-2671
The purpose of this study was to synthesize series of methylated chitosaccharide derivatives, possessing various degree of methylation, and to determine their structure activity relationship (SAR) with regard to their antibacterial effect against Staphylococcus aureus. Chitosan polymer and chitooligomers were used as starting materials and were methylated by reaction with methyl iodide. Depending on the reaction conditions the degree of N-quaternization ranged from 0% to 74%, with varying degree of N,N-dimethylation, N-monomethylation and O-methylation. More selective N-quaternization could be obtained with protection group strategy. At pH 5.5 the chitosaccharide polymers and their methylated derivatives were active against S. aureus with minimal inhibitory concentration (MIC) ranging from 16 to 512 μg/mL. At pH 7.2 the non-quaternized derivatives were inactive but their highly N-quaternized derivatives showed MIC as low as 8 μg/mL. The chitooligomers, as well as their derivatives, were inactive at both pH’s. The SAR studies revealed that N-quaternization was mainly responsible for the antibacterial effects at pH 7.2, whereas it did not contribute to the antibacterial activity under acidic conditions. 相似文献
3.
Thorsteinn Loftsson Dagný Hreinsdóttir Már Másson 《Journal of inclusion phenomena and macrocyclic chemistry》2007,57(1-4):545-552
Studies have shown that cyclodextrins form both inclusion and non-inclusion complexes and that several different types of
complexes can coexist in aqueous solutions. In addition, both cyclodextrins and cyclodextrin complexes are known to form aggregates
and it is thought that these aggregates are able to solubilize drugs through micellar-type mechanism. Thus, stability constants
determined from phase-solubility profiles are rarely true stability constants for of some specific drug/cyclodextrin complexes.
A more precise method for evaluation of the solubilizing effects of cyclodextrins is to determine their complexation efficiency
(CE). CE can be determined by measuring the solubility of a given drug at 2–3 cyclodextrin concentrations in pure water or
a medium constituting the pharmaceutical formulation such as parenteral solution or aqueous eye drop formulation. Based on
the CE value the drug:cyclodextrin ratio in the complexation medium can be determined as well as the increase in the formulation
bulk in a solid dosage form. Determination of CE is a simple method for quick evaluating the solubilizing effects of different
cyclodextrins and/or the effects of excipients on the solubilization. Here we report the CE of 43 different drugs with mainly
2-hydroxypropyl-β-cyclodextrin but also with randomly methylated β-cyclodextrin as well as few other cyclodextrins. Calculation of CE, drug:cyclodextrin molar ratio and the increase in the
formulation bulk is discussed, as well as the influence of the intrinsic solubility and drug lipophilicity on the CE. 相似文献
4.
Thorsteinn Loftsson Hákon H. Sigurdsson Dagný Hreinsdóttir Fífa Konrádsdóttir Einar Stefánsson 《Journal of inclusion phenomena and macrocyclic chemistry》2007,57(1-4):585-589
Due to anatomic barriers and lacrimal drainage it is difficult to obtain therapeutic drug concentrations in the posterior part of the eye after topical drug administrations. Lipophilic cyclodextrins, such as randomly methylated β-cyclodextrin (RMβCD), are known to act both as solubilizers of water-insoluble drugs in aqueous solutions and as penetration enhancers that reduce the barrier function of lipophilic membranes. The purpose of this study was to investigate the effects of RMβCD on dexamethasone delivery from aqueous eye drop solution into rabbit eyes. Dexamethasone (0.5 and 1.5% w/v) drops (50 μl) were administered to the left eye of rabbits (n = 6) and the drug levels measured in different eye tissues 2 h after administration. In aqueous humor dexamethasone levels were 1,190 ± 110 and 1,670 ± 630 ng/g (mean ± SD) after administration of the 0.5 and 1.5% dexamethasone eye drops, respectively. In the retina the levels were 33 ± 7 and 66 ± 49 ng/g, and in optic nerve 41 ± 12 and 130 ± 50 ng/g, respectively. In a previous study the dexamethasone concentration in aqueous humor after topical administration of 1.3% (w/v) dexamethasone eye drops in aqueous 2-hydroxypropyl-β-cyclodextrin (HPβCD) solution was determined to be 320 ± 230 ng/g and 66 ± 20 ng/g after administration of Maxidex® eye drops. Both the hydrophilic HPβCD and the lipophilic RMβCD enhance topical dexamethasone delivery into the eye, but of the two, the lipophilic RMβCD results in higher dexamethasone concentrations. 相似文献
5.
Identification of aroma active compounds in orange essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry 总被引:3,自引:0,他引:3
Using GC-MS and GC-flame ionization detection (FID)/olfactometry, 95 volatile components were detected in orange essence oil, of which 55 were aroma active. In terms of FID peak area the most abundant compounds were: limonene, 94.5%; myrcene, 1%; valencene, 0.8%; linalool, 0.7%, and octanal, decanal, and ethyl butyrate, 0.3% each. One hundred percent of the aroma activity was generated by slightly more than 4% of the total volatiles. The most intense aromas were produced by octanal, wine lactone, linalool, decanal, beta-ionone, citronellal, and beta-sinensal. Potent aroma components reported for the first time in orange essence oil include: E-2-octenal, 1-octen-3-ol, Z-4-decenal, E,E-2,4-nonadienal, guaiacol, gamma-octalactone, and m-cresol. Over 20 compounds were identified for the first time in orange essence oil using MS, however, most did not exhibit aroma activity. 相似文献
6.
7.
Marie Kjærgaard Bjørk Kirsten Wiese Simonsen David Wederkinck Andersen Petur Weihe Dalsgaard Stella Rögn Sigurðardóttir Kristian Linnet Brian Schou Rasmussen 《Analytical and bioanalytical chemistry》2013,405(8):2607-2617
An efficient method for analyzing illegal and medicinal drugs in whole blood using fully automated sample preparation and short ultra-high-performance liquid chromatography–tandem mass spectrometry (MS/MS) run time is presented. A selection of 31 drugs, including amphetamines, cocaine, opioids, and benzodiazepines, was used. In order to increase the efficiency of routine analysis, a robotic system based on automated liquid handling and capable of handling all unit operation for sample preparation was built on a Freedom Evo 200 platform with several add-ons from Tecan and third-party vendors. Solid-phase extraction was performed using Strata X-C plates. Extraction time for 96 samples was less than 3 h. Chromatography was performed using an ACQUITY UPLC system (Waters Corporation, Milford, USA). Analytes were separated on a 100 mm?×?2.1 mm, 1.7 μm Acquity UPLC CSH C18 column using a 6.5 min 0.1 % ammonia (25 %) in water/0.1 % ammonia (25 %) in methanol gradient and quantified by MS/MS (Waters Quattro Premier XE) in multiple-reaction monitoring mode. Full validation, including linearity, precision and trueness, matrix effect, ion suppression/enhancement of co-eluting analytes, recovery, and specificity, was performed. The method was employed successfully in the laboratory and used for routine analysis of forensic material. In combination with tetrahydrocannabinol analysis, the method covered 96 % of cases involving driving under the influence of drugs. The manual labor involved in preparing blood samples, solvents, etc., was reduced to a half an hour per batch. The automated sample preparation setup also minimized human exposure to hazardous materials, provided highly improved ergonomics, and eliminated manual pipetting. Figure
Robotic setup for fully automated solid-phase extraction of whole blood 相似文献
8.
9.
We introduce a second-order solver for the Poisson–Boltzmann equation in arbitrary geometry in two and three spatial dimensions. The method differs from existing methods solving the Poisson–Boltzmann equation in the two following ways: first, non-graded Quadtree (in two spatial dimensions) and Octree (in three spatial dimensions) grid structures are used; Second, Neumann or Robin boundary conditions are enforced at the irregular domain’s boundary. The irregular domain is described implicitly and the grid needs not to conform to the domain’s boundary, which makes grid generation straightforward and robust. The linear system is symmetric, positive definite in the case where the grid is uniform, nonsymmetric otherwise. In this case, the resulting matrix is an M-matrix, thus the linear system is invertible. Convergence examples are given in both two and three spatial dimensions and demonstrate that the solution is second-order accurate and that Quadtree/Octree grid structures save a significant amount of computational power at no sacrifice in accuracy. 相似文献
10.
B. Löhden S. Kuznetsova K. Sengstock V. M. Baev A. Goldman S. Cheskis B. Pálsdóttir 《Applied physics. B, Lasers and optics》2011,102(2):331-344
Intracavity absorption spectroscopy with a broadband Er3+-doped fiber laser is applied for the measurements of several molecular species revealing quantitative information about the
gas concentration, temperature and chemical reactions in flames. The spectral range of measurements extends from 6200 cm−1 to 6550 cm−1 with the proper choice of the fiber length and by moving an intracavity lens. With a pulsed laser applied in this experiment,
the sensitivity to absorption corresponds to an effective absorption path length of 3 km assuming the cavity is completely
filled with the sample. For a cw laser, the effective absorption path length is estimated to be 50 km. Absorption spectra
of various molecules such as CO2, CO, H2O, H2S, C2H2 and OH were recorded separately in the cell and/or in low-pressure methane and propane flames. The presented measurements
demonstrate simultaneous in situ detection of three molecular products of chemical reactions at different flame locations.
Variation of the relative strengths of OH absorption lines with the temperature enables the estimation of the local flame
temperature. The sensitivity of this laser does not depend on the broadband cavity losses and it can be used for in situ measurements
of absorption spectra in hostile environments such as contaminated samples, flames or combustion engines. The presented technique
can be applied for various diagnostic purposes, such as in environmental, combustion and plasma research, in medicine and
in the determination of stable isotope ratios. 相似文献