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81.
I. Esteban-Díez 《Analytica chimica acta》2006,555(1):84-95
Orthogonal WAVElet correction (OWAVEC) is a pre-processing method aimed at simultaneously accomplishing two essential needs in multivariate calibration, signal correction and data compression, by combining the application of an orthogonal signal correction algorithm to remove information unrelated to a certain response with the great potential that wavelet analysis has shown for signal processing. In the previous version of the OWAVEC method, once the wavelet coefficients matrix had been computed from NIR spectra and deflated from irrelevant information in the orthogonalization step, effective data compression was achieved by selecting those largest correlation/variance wavelet coefficients serving as the basis for the development of a reliable regression model. This paper presents an evolution of the OWAVEC method, maintaining the first two stages in its application procedure (wavelet signal decomposition and direct orthogonalization) intact but incorporating genetic algorithms as a wavelet coefficients selection method to perform data compression and to improve the quality of the regression models developed later. Several specific applications dealing with diverse NIR regression problems are analyzed to evaluate the actual performance of the new OWAVEC method. Results provided by OWAVEC are also compared with those obtained with original data and with other orthogonal signal correction methods. 相似文献
82.
用非水滴定法和Hammett系列指示剂测定了COS水解碱改性γ-Al_2O_3催化剂的表面碱强度分布.发现表面碱强度分布不均匀与表面能量分布不均匀相呼应.采用零点酸碱强度(H_(0,max))及碱中心区域分析法,Bronsted催化定律,进一步证实COS水解反应具有明显碱催化特征,较高活性催化剂的H_(0,max)一般为10左右,对COS水解反应起主要作用的碱性中心的碱强度(H_0)为4.8≤H_0≤9.8.对碱金属氧化物改性后的γ-Al_2O_3催化剂,Bronsted规律在每个碱强度分区域内是适用的. 相似文献
83.
羟丙基甲基纤维素作为水泥添加剂研究(四) 总被引:2,自引:0,他引:2
以萘磺酸甲醛缩合物为分散剂,水溶性羟丙基甲基纤维素衍生物为粘稠剂,研究了它们的混合物对混凝土材料的分散性与粘稠性及其它性能的影响,并探索了其作用机理。 相似文献
84.
JD树脂刻蚀及涂层的XPS研究 总被引:2,自引:0,他引:2
JD光学树脂表面刻蚀过程的XPS研究表明,引进树脂遥COH,C=O,C-SO3H,COOH等基因随刻蚀温度的提高或时间的延长而增加,对其相对含量进行了计算,固化后的耐磨涂层具有SiO2结构,JD板材的最佳刻蚀条件为20℃,20min。 相似文献
85.
The first molal hydrolysis quotient, Q1.1, of Mg2+ was measured potentiometrically from 1 to 250°C at ionic strengths of 0.11, 0.31, 1.01, and 5.0 mol-kg-1 in an aqueous NaCl medium using a hydrogen-electrode, concentration cell. Only hydrolysis of the first four percent of the
magnesium in solution could be followed before precipitation of brucite, Mg(OH)2(cr), occurred. The log Q1.1 values were fitted as a function of temperature and ionic strength using four adjustable parameters. The resulting constants
are compared with the limited existing low temperature data. At infinite dilution and 25°C the following quantities are reported:
logK
1.1 = -11.68±0.05, †Hso = 70.1±1.2 kJ-mol-1, †So = 11±4 J-K-1-mol-1, and †C
p
o
= 0 J-K-1-mor-1. At each ionic strength, including the values extrapolated to infinite dilution, the heat capacity change for the hydrolysis
reaction was zero,i.e., logQ
1.1 was found to be a linear function of the reciprocal temperature in Kelvin, at least over the measured range of l-250°C. The
hydrolysis constants at infinite dilution were modeled to 550°C and two kbar pressure with a function incorporating solvent
density using published results obtained at these extreme conditions. 相似文献
86.
We examined the variation with ionic strength (I, adjusted with KCl, KNO3, KBr, NaCl or NaClO4) of the formal potential (Econst) for glass electrodes exhibiting a Nernstian response (i.e. Ecell=Econst−s log [H+]). For this purpose, we investigated the different factors included in the formal potential, so we obtained reported values for the liquid junction potential as a function of ionic strength and determined the logarithm of the activity coefficient for the proton in various saline media, using Pitzer equations. 相似文献
87.
Mats J. Sundell Esko O. Pajunen Osmo O. E. Hormi Jan H. Nsman 《Journal of polymer science. Part A, Polymer chemistry》1993,31(9):2305-2311
The synthesis of some divinyl monomers—bis(vinylphenyl)ethane ( 2 ), bis(vinylbenzyloxy)hexane ( 3a ), and bis(vinylbenzyloxy)dodecane ( 3b ) is reported. Copolymers of the new monomers and styrene were evaluated as an alternative to divinylbenzene-crosslinked polymers for use as matrices and absorbents. The mechanical properties and the amount of residual double bonds in the copolymers were compared. It was found that the new copolymers, unlike the divinylbenzene-crosslinked polymers, retained their mechanical strength even at high crosslinking degrees. Stress at break values of 79, 68, and 18 N/mm2 were found for the polymers crosslinked with 20 mol % of 3a, 2 , and divinylbenzene; 5, 25 and 45% of the divinyl units in these polymers were left as pendant double bonds. Porous styrene– 2 copolymers were synthesized and shown to have lower surface areas than the corresponding divinylbenzene-crosslinked polymers. The pore size distribution showed that this was due to the absence of the smallest pores which are found in the divinylbenzene-crosslinked polymers in between heavily crosslinked nodules. © 1993 John Wiley & Sons, Inc. 相似文献
88.
The ion product of water and the dissociation constants of carbonic acid have been determined in 0.1, 1.0, 3.0, and 5.0M NaClO4 at 25°C. The ion product of water K
w
'
has been evaluated by emf measurements with a combined glass electrode in NaClO4 solutions containing 0.001–0.1M HCLO4 or NaOH. The product K
H
'
K
l
'
K
2
'
of the Henry constant for CO2 and the dissociation constants for H2CO3 have been determined by titration of carbonate solutions equilibrated with pCO2 =10–3.52 atm, and K
2
'
has been evaluated by potentiometric titration and by measuring the H+ concentration at fixed HCO
3
–
and CO
3
2-
concentrations. The ion interaction (Pitzer) equations are applied to describe the constants K
w
'
, K
2
'
and K
H
'
H
1
'
K
2
'
as a function of the NaClO4 concentration. The experimental data are used to evaluate the mixing parameters
i/ClO
4 and
i/ClO
4
-/Na+ fori = OH
-,HCO
3
-
andCO
3
2- 相似文献
89.
合成了6种氨基酸水杨醛席夫碱(Sal-AA):Sal-Gly(甘氨酸)、Sal-Phe(苯丙氨酸)、Sal-Arg(精氨酸)、Sal-Tyr(酪氨酸)、Sal-Met(甲硫氨酸)、Sal-Glu(谷氨酸)及其金属铜配合物。并分别在2种不同介质(三氯甲烷和甲醇)中,与四苯基卟啉TPP进行反应,研究了其紫外可见光谱性质,讨论了卟啉作为人工信号转导体系的传递介质,与氨基酸水杨醛席夫碱铜配合物的反应中,实现信号分子铜离子进一步传递的可能性以及溶剂对该信号传递的影响。结果表明,在三氯甲烷为溶剂时,除了Sal-Met的铜配合物之外,其余均能被TPP夺取而形成Metal TPP。而在以甲醇为溶剂时,只有Sal-Gly的铜配合物能被TPP所夺取。 相似文献
90.
Bi Xian Tonghua Li Chen Kai Tongcheng Cao Jianrong Huang Yunpeng Qi 《Journal of mathematical chemistry》2004,36(2):129-138
Orthogonal signal correction (OSC) was a data preprocessing algorithm. It ensured that the filtered information was irrelevant to concentration data while using it to filter the noise from the original data. This paper extended the OSC application range from two-way data to three-way data. Two drug data sets, Enoxacin, Norfloxacin, Ciprofloxacin and Betamethasone, cortisone acetate, prednisone acetate, showed that the application of the OSC algorithm to three-way HPLC data was feasible and needed further research. 相似文献