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1.
《Journal of Saudi Chemical Society》2020,24(10):754-764
A kinetic study of the reactions of potentially bioactive 2-amino-4-arylthiazoles with highly reactive 4,6-dinitrobenzofuroxan (DNBF) is reported herein in acetonitrile solution. The complexation reaction was followed by recording the UV–vis spectra with time at λmax = 482 nm. Electronic effects of substituents influencing the rate of reaction have been studied using structure-reactivity relationships. It is shown that the Hammett plot relative to the reaction of DNBF with 2-amino-4-(4-chlorophenyl)thiazole exhibit positive deviation from the log k1 versus σ correlation, while it showed excellent linear correlation in terms of Yukawa–Tsuno equation. It has be noticed that the nonlinear Hammett plot observed for 2-amino-4-(4-chlorophenyl) thiazole is not attributed to a change in rate-determining step but is due to nature of electronic effect of substituent caused by the resonance of stabilization of substrates. The second-order rate constant (k1) relating to the bond C–C and C-N forming step of the complexation processes of DNBF with 4-substituted-aminothiazoles and 2-amino-5-methyl-4-phenylthiazole, respectively, is fit into the linear relationship log k = sN (N + E), thereby permitting the assessment of the nucleophilicity parameter (N) of the 2-amino-4-arylthiazoles of the range (4.90 < N < 6.85). 2-amino-4-arylthiazoles is subsequently ranked by positioning its reactivity on the general nucleophilicity scale developed recently by Mayr and coworkers (2003) leading an interesting and a direct comparison over a large domain of π-, σ -, and n-nucleophiles. The global electrophilicity/nucleophilicity reactivity indexes of the 2-amino-4-arylthiazoles have been investigated by means of a density functional theory (DFT) method. . 相似文献
2.
A likelihood-based method for haplotype association studies of case-control data with genotyping uncertainty 总被引:1,自引:0,他引:1
ZHU Wensheng & GUO Jianhua School of Mathematics Statistics Northeast Normal University Changchun China 《中国科学A辑(英文版)》2006,49(1):130-144
This paper discusses the associations between traits and haplotypes based on Fl (fluorescent intensity) data sets. We consider a clustering algorithm based on mixtures of t distributions to obtain all possible genotypes of each individual (i.e. "GenoSpec-trum"). We then propose a likelihood-based approach that incorporates the genotyping uncertainty to assessing the associations between traits and haplotypes through a haplotype-based logistic regression model. Simulation studies show that our likelihood-based method can reduce the impact induced by genotyping errors. 相似文献
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1 INTRODUCTION Carbon nanotubes have many potential applica- tions due to their unique structures and properties[1~4]. Physicists have been studying their electrical, me- chanical and other properties since their discove- ries[5, 6]. Recently, chemists are interested in carbon nanotubes because their properties can be altered by chemical functionalization[7~14], and these functiona- lized nanotubes can undergo further chemical trea- tment. So the potential application range of such na- … 相似文献
5.
A 2D HgII coordination polymer containing ligands 1,2,4‐triazole (Htrz) and thiocyanate, [Hg(μ3‐trz)(SCN)]n ( 1 ) has been synthesized and characterized by elemental analysis and IR spectroscopy. The single‐crystal X‐ray data show the coordination number of Hg atoms is four and the ligand trz? acts as a three‐fold donor. The thermal stability of compound 1 was studied by thermal gravimetric and differential thermal analyses. The composition and formation of the complex in methanol solution were found to be in support of its solid state structure. 相似文献
6.
Chin-Tsang Chiang Mei-Cheng Wang 《Annals of the Institute of Statistical Mathematics》2004,56(1):87-100
This paper proposes kernel estimation of the occurrence rate function for recurrent event data with informative censoring.
An informative censoring model is considered with assumptions made on the joint distribution of the recurrent event process
and the censoring time without modeling the censoring distribution. Under the validity of the informative censoring model,
we also show that an estimator based on the assumption of independent censoring becomes inappropriate and is generally asymptotically
biased. To investigate the asymptotic properties of the proposed estimator, the explicit form of its asymptotic mean squared
risk and the asymptotic normality are derived. Meanwhile, the empirical consistent smoothing estimator for the variance function
of the estimator is suggested. The performance of the estimators are also studied through Monte Carlo simulations. An epidemiological
example of intravenous drug user data is used to show the influence of informative censoring in the estimation of the occurrence
rate functions for inpatient cares over time. 相似文献
7.
针对柱面注浆方式,研究了有关渗透注浆的单孔复注及不同方式布孔时多孔注浆的相互影响等问题,推导出一些有价值的岩体注浆理论公式,可用于指导现场注浆工程的设计与施工. 相似文献
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报导了Yb :FAP和Yb :C3S2 _FAP晶体在不同温度下的吸收光谱和荧光光谱实验结果 ,研究发现由于电子_声子近共振耦合作用 ,Yb :FAP和Yb :C3S2 _FAP晶体均存在有明显的振动谱 ,Yb :FAP晶体的零声子线在低温下还劈裂为相差 10cm- 1 的两条线 .采用激光选择激发技术研究了Yb3 离子在FAP和C3S2 _FAP晶体中的格位特征 ,结果表明Yb3 离子在这两种基质中都只占据Ca(Ⅱ )格位 ,但由于CaF2 的挥发 ,导致了Ca(Ⅱ )格位的局部畸变 . 相似文献
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Qiu Hong WU He Xiang WANG Kun GAO State Key Laboratory of Applied Organic Chemistry College of Chemistry Chemical Engineering Lanzhou University Lanzhou 《中国化学快报》2006,17(2)
Many Ligularia species have long been used as traditional folk medicine for theirantibiotic, antiphlogistic and antitussive activities1, and were found to be an importantsource of eremophilane. In the course of our search for bioactive sesquiterpenoids, w… 相似文献