Validation of the concentration profiles obtained from the near infrared/multivariate curve resolution monitoring of reactions of epoxy resins using high performance liquid chromatography as a reference method

This paper reports the validation of the results obtained by combining near infrared spectroscopy and multivariate curve resolution-alternating least squares (MCR-ALS) and using high performance liquid chromatography as a reference method, for the model reaction of phenylglycidylether (PGE) and aniline. The results are obtained as concentration profiles over the reaction time. The trueness of the proposed method has been evaluated in terms of lack of bias. The joint test for the intercept and the slope showed that there were no significant differences between the profiles calculated spectroscopically and the ones obtained experimentally by means of the chromatographic reference method at an overall level of confidence of 5%. The uncertainty of the results was estimated by using information derived from the process of assessment of trueness. Such operational aspects as the cost and availability of instrumentation and the length and cost of the analysis were evaluated. The method proposed is a good way of monitoring the reactions of epoxy resins, and it adequately shows how the species concentration varies over time.     

Convergent iterative schemes for time parallelization

Parallel methods are usually not applied to the time domain because of the inherit sequentialness of time evolution. But for many evolutionary problems, computer simulation can benefit substantially from time parallelization methods. In this paper, we present several such algorithms that actually exploit the sequential nature of time evolution through a predictor-corrector procedure. This sequentialness ensures convergence of a parallel predictor-corrector scheme within a fixed number of iterations. The performance of these novel algorithms, which are derived from the classical alternating Schwarz method, are illustrated through several numerical examples using the reservoir simulator Athena.

     

Fe-Al络合催化苯乙烯-马来酸酐交替共聚

应用Ｆｅ（ａｃａｃ）３ Ａｌ（ｉ Ｂｕ）３（ａｃａｃ＝乙酰丙酮）催化苯乙烯 马来酸酐共聚,制得富于交替的白色粉末共聚物．共聚反应动力学研究表明,共聚反应与单体浓度呈一级关系,表观活化能为４８６ｋＪ／ｍｏｌ．     

Polytopes of high rank for the alternating groups

There is a well-known correspondence between abstract regular polytopes and string C-groups. In this paper, for each d?3, a string C-group with d generators, isomorphic to an alternating group of degree n is constructed (for some n?9), or equivalently an abstract regular d-polytope, is produced with automorphism group Alt(n). A method that extends the CPR graph of a polytope to a different CPR graph of a larger (or possibly isomorphic) polytope is used to prove that various groups are themselves string C-groups.     

三维荧光结合化学多维校正快速灵敏测定环境水样中的噻菌灵和双酚A

随着经济的高速发展,环境问题正在日益引起人们的广泛关注。在实际生产中,农药和塑化剂长期存在滥用的问题,使其成为最为广泛的环境污染源并对生态环境、食品、人畜等造成严重的危害。针对环境中农药和塑化剂的残留问题,开发一种灵敏、快速的高效检测分析方法,采用三维荧光结合化学计量学方法用于环境水样中噻菌灵（TBZ）与双酚A（BPA）的快速灵敏分析。兼顾了三维荧光分析的灵敏度高、信息丰富及化学多维校正方法“数学分离”的显著优势,仅需要简单的预处理过程即可实现TBZ和BPA的痕量检测。即使分析物之间以及分析物和水样中未知背景干扰之间的光谱存在严重的重叠,基于交替三线性分解（ATLD）算法的二阶校正方法仍能借助其显著的“二阶优势”对其进行解析,并获得可靠的定性定量结果。其中,TBZ在20~200 ng·mL-1范围内线性关系良好（r=0.9999）,而BPA在40~280 ng·mL-1范围内线性关系良好（r=0.999 1）。TBZ和BPA在两种水样中的平均加标回收率分别为96.3%~99.1%和90.0%~90.8%,且标准偏差均低于7.2%。另外,计算品质因子,如灵敏度（SEN）、选择性（SEL）、检测限（LOD）和定量限（LOQ）,评估了该方法的准确性。所得结果均令人满意,表明所提出的方法能够用于环境水样中TBZ和BPA的准确、快速定量分析,为环境中农药和塑化剂的残留问题提供了一种科学有效的监测手段。     

Linear maps leaving the alternating group invariant

Let A_n be the group of n×n even permutation matrices, and let V_n be the real linear space spanned by A_n. The purpose of this note is to characterize those linear operators φ on V_n satisfying φ(A_n)=A_n. This answers a question raised by C.K. Li, B.S. Tam, N.K. Tsing [Linear Algebra Appl., to appear].     

Quantitative analysis of triazine herbicides in environmental samples by using high performance liquid chromatography and diode array detection combined with second-order calibration based on an alternating penalty trilinear decomposition algorithm

A novel application of second-order calibration method based on an alternating penalty trilinear decomposition (APTLD) algorithm is presented to treat the data from high performance liquid chromatography-diode array detection (HPLC-DAD). The method makes it possible to accurately and reliably analyze atrazine (ATR), ametryn (AME) and prometryne (PRO) contents in soil, river sediment and wastewater samples. Satisfactory results are obtained although the elution and spectral profiles of the analytes are heavily overlapped with the background in environmental samples. The obtained average recoveries for ATR, AME and PRO are 99.7 ± 1.5, 98.4 ± 4.7 and 97.0 ± 4.4% in soil samples, 100.1 ± 3.2, 100.7 ± 3.4 and 96.4 ± 3.8% in river sediment samples, and 100.1 ± 3.5, 101.8 ± 4.2 and 101.4 ± 3.6% in wastewater samples, respectively. Furthermore, the accuracy and precision of the proposed method are evaluated with the elliptical joint confidence region (EJCR) test. It lights a new avenue to determine quantitatively herbicides in environmental samples with a simple pretreatment procedure and provides the scientific basis for an improved environment management through a better understanding of the wastewater-soil-river sediment system as a whole.     

Weak Cayley Table Groups II: Alternating Groups and Finite Coxeter Groups

A weak Cayley table isomorphism is a bijection φ: G → H of groups such that φ(xy) ～ φ(x)φ(y) for all x, y ∈ G. Here ～denotes conjugacy. When G = H the set of all weak Cayley table isomorphisms φ: G → G forms a group 𝒲(G) that contains the automorphism group Aut(G) and the inverse map I: G → G, x → x ^?1. Let 𝒲₀(G) = ?Aut(G), I? ≤ 𝒲(G) and say that G has trivial weak Cayley table group if 𝒲(G) = 𝒲₀(G). We show that all finite irreducible Coxeter groups (except possibly E ₈) have trivial weak Cayley table group, as well as most alternating groups. We also consider some sporadic simple groups.