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131.
Anion recognition by 1,3-disiloxane-1,1,3,3-tetraols has been elucidated by 1H NMR titrations and ESI-MS in organic solvents. The association constants of the receptors for halide anions are larger than those of silanediol and 1,3-disiloxane-1,3-diol due to the cooperative hydrogen bonds by four silanol hydroxy groups of 1,3-disiloxane-1,1,3,3-tetraols. 相似文献
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Modeling of retention of adrenoreceptor agonists and antagonists on polar stationary phases in hydrophilic interaction chromatography: a review 总被引:1,自引:0,他引:1
Retention prediction models for reversed-phase liquid chromatography (RPLC) have been extensively studied owing to the fact
that RPLC remains the most widely used chromatographic technique especially in the field of pharmaceutical and biomedical
analyses. However, RPLC is not always the method of choice for the analysis of some compounds that have high polarity. Hydrophilic
interaction chromatography (HILIC) has been gaining interest in the last few years as an alternative option to RPLC for the
analysis of polar and hydrophilic analytes. HILIC is a variant of normal-phase liquid chromatography, but utilizes water in
a water-miscible organic solvent as the eluent in conjunction with a hydrophilic stationary phase. The present review aims
to summarize recent contributions on the development of retention prediction models for a group of basic analytes, namely,
the adrenoreceptor agonists and antagonists, on different polar stationary phases. The use of multiple linear regression and
artificial neural networks in model building is highlighted. 相似文献
134.
扑热息痛片剂药品的近红外光谱法非破坏定量分析 总被引:5,自引:0,他引:5
现代近红外光谱分析技术将近红外光谱 (NIR)法同计算机科学和化学计量学结合 ,实现了对样品进行无损非破坏性定量分析 .该法具有速度快、操作简单及所需样品少等特点 ,能够实现样品分析的时间同步、地点同步及无损非破坏分析 .为实现生产过程中即时、在线的质量控制提供了新的手段[1 ] .本文应用人工神经网络 [2 ]与近红外漫反射光谱相结合对扑热息痛片剂药品进行了非破坏快速定量分析 .用扑热息痛片剂药品的近红外漫反射光谱数据、一阶导数光谱数据及二阶导数光谱数据分别建立了 ANN模型 ,预测未知样品 ,讨论了影响网络的因素 ,使用了新… 相似文献
135.
In libraries and archives some of the items which, upon ageing, have acidified considerably since their production are so brittle that they cannot be handled without risking loss of material. In contrast to current deacidification processes, aminoalkylakoxysilanes (AAAS) improve the mechanical properties of paper. A simple AAAS, aminopropylmethyldiethoxysilane (AMDES) was used as a model to better understand previous observations made on these systems (hydrolysis, condensation and possible reactions with the organic substrate). The evaluation of the mechanical properties of papers that were treated with AMDES showed that there was no formation of a polymer network on the fibres’ surface. However, treated papers not only exhibited a high alkaline reserve, but also a significant increase in both their tensile breaking length and their folding endurance. Treatment of hygrothermally aged papers with AMDES provided improved folding endurance as well as a good resistance to ageing. Various oxidation treatments of the model papers using sodium hypochlorite led to the conclusion that the nature of the oxidised groups formed on cellulose did not seem to play a significant role in the strengthening mechanism but rather that this effect of AMDES mainly arose from hydrogen bonding between the two molecules. 相似文献
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《Analytical letters》2012,45(14):2384-2393
Near infrared spectroscopy in combination with appropriate chemometric methods is an effective technique for quantitative analysis of parameters of interest for the pharmaceutical industry. In this study, the artificial neural network (ANN) was applied to monitor critical parameters (compression force, tablet hardness, mean particle size, and active pharmaceutical ingredient concentration of tablets) in the process of naproxen pharmaceutical preparation. The performance of ANN was compared to linear methods (partial least squares regression (PLS) and synergy interval partial squares (siPLS)). The ANN models for compression force, tablet hardness, mean particle size, and active pharmaceutical ingredient concentration of tablets yielded the low root mean square error of prediction (RMSEP) values of 0.936 KN, 0.302 kg, 4.49 mg, and 2.14 µm, respectively. The predictive ability of the PLS model was improved by siPLS with selection of spectral regions and the best performance among all calibration methods was showed by the nonlinear method (ANN). Effective models were built by using these approaches using near infrared spectroscopy. 相似文献
140.
人工神经网络法用于高效毛细管电泳分离条件优化的研究 总被引:8,自引:1,他引:8
把人工神经网络(ANN)法应用于高效毛细管电泳(HPCE)分离条件的优化,给出了反向传播(BP)的ANN模型的具体算法。用正交试验法同时考察了缓冲溶液组成、浓度、pH值和有机添加剂浓度等实验因素对HPCE分离合成色素和防腐剂的影响,采用误差反向传播方法建立了有效的ANN预测模型,预测最佳分离条件,获得了满意的分离结果。 相似文献