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排序方式: 共有1047条查询结果,搜索用时 15 毫秒
1.
新药交沙霉素能否制成片剂,取决于能否找到最佳的片剂处方.本文运用正交试验法成功地解决了这一问题. 相似文献
2.
Frank Abild-Pedersen Ole Lytken Jakob Engbk Gunver Nielsen Ib Chorkendorff Jens K. Nrskov 《Surface science》2005,590(2-3):127-137
We have, theoretically and experimentally, investigated the dissociation of methane on the terraces and steps of a Ni(1 1 1) surface. Using Density Functional Theory (DFT) total energy calculations combined with Ultra High Vacuum (UHV) experiments, we find that the steps exhibit a higher activity than the terraces. We have, furthermore, investigated how carbon and sulfur present on the surface will deactivate the steps, leaving only the terraces active. We find the intrinsic sticking probabilities of methane on the steps and terraces at 500 K to be 2.8 × 10−7 for the steps and 2.1 × 10−9 for the terraces, in complete agreement with our calculated difference in activation energy of 17 kJ/mol. 相似文献
3.
Vora A. Riga A. Dollimore D Alexander K. 《Journal of Thermal Analysis and Calorimetry》2004,75(3):709-717
This study attempts to identify the degradative process which folic acid undergoes in the solid-state under thermal stress.
In order to facilitate the process, the various pieces of the chemical structure, namely, p-amino benzoic acid, pterin and glutamic acid as both its d- and l-isomers were investigated as separate entities. These structured solid-state pieces were then compared to the composite solid
state folic acid degradative curves in order to identify the peaks seen and provide direction for the interpolation of the
degradative mechanism. It was observed that none of the structural pieces could be superimposed as assumed earlier and hence
an attempt was made to identify the decomposition products using various analytical techniques such as infrared spectroscopy,
mass spectroscopy and X-ray diffraction which suggested that the glutamic acid fragment is lost first as evidenced by acid
loss and amide enhancement in the IR spectra. The vitamin was ultimately degrading to carbon fragments and that further identification
was not necessary.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
4.
Alexander Apelblat Emanuel Manzurola Zoya Orekhova 《Journal of solution chemistry》2006,35(6):879-888
Conductivity measurements in dilute aqueous solutions of L-ascorbic acid, sodium-L-ascorbate, magnesium-L-ascorbate, calcium-L-ascorbate and ferrous-L-ascorbate were performed in the (288.15 to 323.15) K temperature range. The limiting molar conductances of the ascorbic anion, λ∘(HAsc−, T), and the dissociation constants of ascorbic acid, K(T), were derived by the use of the Debye-Hückel equation for the activity coefficients and the Onsager and Quint and Viallard conductivity equations. 相似文献
5.
用从头计算方法对硝基氢(HNO2)体系的异构化及分解反应进行了研究,在6-31G水平上,该化合物异构化为反式来酸的势垒为292kJ/mol,且不易分解为H+NO2或O+HNO。 相似文献
6.
Studies on the complexation of copper(II) by phenolic acids, as ligand models of humic substances were done by potentiometry. The acids under study were: 3,4-dihydroxyhydrocinnamic acid or hydrocaffeic acid (1), 3,4-dihydroxyphenylacetic acid (2) and 3,4-dihydroxybenzoic acid or protocatechuic acid (3). Acidity constants of the ligands and the formation constants of metal-ligand complexes were evaluated by computer programs. The carboxylic group of the phenolic acids has different pKa1 values, being the dissociation constants intrinsically related with the distance between the function and the aromatic nucleus. The results obtained allow concluding that acidity constants of the catechol moiety of the compounds are similar with pKa2 and pKa3 values between 9.47-9.41 and 11.55-11.70. The complexation properties of the three ligands towards copper(II) ion are quite similar, being the species found not different either in nature or stability. Although the model ligands have some structural differences no significant differences were found in their complexation properties towards copper(II). So, it can be postulated that complexation process is intrinsically related with the presence of a catechol group. 相似文献
7.
Two bis(bipyridine) polymeric metal nitrate complexes
with 4,4’-bipyridine of simple formula like [M(bipy)2](NO3)2⋅xH2O (where M=Co, Ni and Cu; x=4, 2 and 0, respectively) have been prepared and
characterized. Their thermal decomposition has been undertaken using simultaneous
TG-DTG-DTA and DSC in nitrogen atmosphere and non-isothermal TG in air atmosphere.
Isothermal TG has been performed at decomposition temperature range of the
complexes to evaluate the kinetics of decomposition by applying model-fitting
as well as isoconversional method. Possible mechanistic pathways have also
been proposed for the thermolysis. Ignition delay measurements have been carried
out to investigate the response of these complexes under the condition of
rapid heating. 相似文献
8.
The actual mobilities and dissociation constants of acidic and basic pharmaceuticals were determined in methanol. Actual mobilities were derived from the dependence of the effective mobilities of the analytes on the pH of the methanolic background electrolyte solution (pH(MeOH)). The pKa values of the pharmaceuticals in methanol (pK(a,MeOH)) were calculated by non-linear curve fitting to the measured mobility values. It was found that the shift in pKa value (when compounds were transferred from water to methanol) increased with the acidity of the analyte. The average pKa shift for compounds exhibiting acidic properties in water was ca. 5.5 units, and the shift for basic compounds about 2 units. As was shown for a mixture of beta-blockers, the calculated actual mobilities and pKa values can be utilised in the optimisation of pH conditions for separation. The practical value of the method was illustrated by the analysis of urine samples. 相似文献
9.
The dissociation of water adsorbed on the surface of NiO was investigated by using the semi-empirical SCF MO method MSINDO.
Simulations were based on embedded cluster models representing the (100) surface, with and without a monatomic step. The angle
formed between the metal adsorption site and the O–H bond associated with water has been found to be critical to the energetics
of the dissociation process. Based on this criterion, it was shown that water dissociation is favorable on the stepped surface,
but highly unlikely on the planar surface. In addition, the activation energy required for water dissociation in a monatomic
NiO step was considerably lower than for dissociation at the planar surface. The high activation energy associated with water
dissociation on the planar surface is attributed to the rigidity of the NiO lattice.
Dedicated to Prof. K. Jug in honor of his 65th birthday 相似文献
10.
缓慢炭化部分氧化对制备煤质活性炭的影响 总被引:5,自引:0,他引:5
研究了炭化升温速度、炭化低温区引入空气部分氧化对活性炭制备过程中炭化阶段、炭化物结构、活性炭性能等的影响。结果表明,炭化时低温部分氧化可提高炭化物得率,使炭化物微晶的d002值升高和Lc值减小;而较慢的炭化升温速度有利于制备优质活性炭。缓慢炭化、部分氧化可以在一定程度上控制炭化路径,使炭化向生成取向性差、难石墨化、各向同性、呒定形炭多的炭化物的方向进行;并讨论了它们控制炭化的作用机理。以此为指导, 相似文献