单类分类方法结合光谱分析在食品真实性鉴别中的应用

近年来,假冒伪劣食品已日益成为广大消费者密切关注的问题,食品真实性评估是缓解这一问题、保护公众健康的有力手段。在仪器设备和样品处理的高要求下,现代检测技术通常需要大量时间和金钱的成本消耗,而如今食品掺假手段不断变换,花样日益翻新,使得这类检测技术存在一定的局限性。为促进食品安全质量监管的效率和水平提高,为监管工作提供有力的科学技术支撑和保障,需要寻求新型检测技术。光谱分析技术,以操作简单、快速无损的优势近年来被广泛应用,作为一种间接分析技术,结合数据统计学中的分类方法建立模型后更能有效进行真假鉴别。在分类方法中,由于现实生活中五花八门的掺假类型以及在真假样本数量差异大的情况下,常用的分类方法效果可能出现偏差。但单类分类方法(one-class classification)是一种只针对一类实例建模分析,以特定的置信水平固定目标样本类的边界,对新样本的类别进行判定的方法,利用这一特点能有效区分不同于真实样本的数据,大大减少了检测的工作量,在食品掺假检测应用领域有一定的发展潜力。对近年来模式识别中的分类方法——单类分类方法进行了综述。通过阐述光谱分析结合分类方法用于食品掺假检测的必要性,比...     

基于回归分析的语音识别快速自适应算法

从回归分析的角度推导出最大似然线性回归算法的等价算法——最小二乘线性回归算法,以及相应的多元线性回归模型。该模型中回归因子间存在着多重共线性,它导致了算法在自适应数据很少时失效。为减轻多重共线性的影响,提出改进算法:伪自适应数据算法。实验表明,当仅有1s~3s自适应数据时,新算法使得系统误识率相对下降2%~6%,随着自适应数据增多,其性能与最大似然线性回归(或最小二乘线性同归)算法趋于一致。     

Zur Elektrochemie nichtwässeriger LÖsungen

Ohne ZusammenfassungIch erlaube mir, Herrn Prof. Dr. Robert Kremann, in dessen Institut diese und die folgenden Arbeiten durchgefÜhrt wurden, fÜr sein au\erordentliches Entgegenkommen sowie fÜr viele wertvolle Ratschläge meinen herzlichsten Dank auszusprechen.     

铁氨基黏土纳米结构脂肪酶的构筑 及催化特性

以铁氨基黏土(Fe-aminoclay)为载体, 1-(3-二甲氨基丙基)-3-乙基碳二亚胺盐酸盐(EDC)为共价交联剂, 构筑了铁氨基黏土纳米结构脂肪酶催化剂(Feclay-lipase). 利用X射线衍射(XRD)、 透射电子显微镜(TEM)和傅里叶变换红外光谱(FTIR)等技术对Feclay-lipase进行了表征, 并通过酶动力学对比研究了游离脂肪酶和Feclay-lipase的酶学特性. 结果表明, Fe-aminoclay的载酶量为414.4 mg/g, 固定化效率可达82.88%, Feclay-lipase的酶活较游离酶提高了3倍, 最适反应温度提高了10 ℃, 最适反应 pH向碱性偏移, 储存稳定性更好, 在4 ℃下贮存30 d后其酶活无明显减弱.     

A DFT/TD-DFT study on the possible replacement of Ru(II) with Fe(II) in phthalocyanine-based dye-sensitized solar cells

Structural Chemistry - Density functional theory and time-dependent density functional theory (DFT/TD-DFT) methods have been used to study the photo-voltaic and photophysicochemical properties of...     

Third-order nonlinear optical properties and structures of (E)-N-(4-nitrobenzylidene)-2,6-dimethylaniline and (E)-N-(4-nitrobenzylidene)-2,3-dimethylaniline

(E)-N-(4-Nitrobenzylidene)-2,6-dimethylaniline (1) and (E)-N-(4-nitrobenzylidene)-2,3-dimethylaniline (2) have been synthesized. The crystal structures of both compounds have been defined by X-ray diffraction analysis. The maximum one-photon absorption (OPA) wavelengths recorded by quantum mechanical computations using a configuration interaction (CI) method are estimated in the UV region to be shorter than 450 nm, showing good optical transparency to the visible light. To provide an insight into the microscopic third-order nonlinear optical (NLO) properties of the investigated molecules, both dispersion-free (static) and also frequency-dependent (dynamic) linear polarizabilities (α) and second hyperpolarizabilities (γ) at λ = 825–1125 nm and 1050–1600 nm wavelength areas have been computed using time-dependent Hartree–Fock (TDHF) method. According to the ab initio calculation results, the title molecules exhibit second hyperpolarizabilities with non-zero values, implying microscopic third-order NLO behavior.     

Towards an Automated Reduction Method for Polynomial ODE Models of Biochemical Reaction Systems

This paper presents the first version of an algorithmic scheme dedicated to the model reduction problem, in the context of polynomial ODE models derived from generalized chemical reaction systems. This scheme, which relies on computer algebra, is implemented within a new MAPLE package. It is applied over an example. The qualitative analysis of the reduced model is afterwards completely carried out, proving the practical relevance of our methods. We would like to thank Marc Lefranc and Pierre-Emmanuel Morant. This work was partially supported by the PPF Bioinfo of the University Lille I.     

Additive polylogarithms and their functional equations

Let ${k[\varepsilon]_{2}:=k[\varepsilon]/(\varepsilon^{2})}Let k[e]₂:=k[e]/(e²){k[\varepsilon]_{2}:=k[\varepsilon]/(\varepsilon^{2})} . The single valued real analytic n-polylogarithm L_n: \mathbbC ? \mathbbR{\mathcal{L}_{n}: \mathbb{C} \to \mathbb{R}} is fundamental in the study of weight n motivic cohomology over a field k, of characteristic 0. In this paper, we extend the construction in ünver (Algebra Number Theory 3:1–34, 2009) to define additive n-polylogarithms li_n:k[e]₂? k{li_{n}:k[\varepsilon]_{2}\to k} and prove that they satisfy functional equations analogous to those of L_n{\mathcal{L}_{n}}. Under a mild hypothesis, we show that these functions descend to an analog of the nth Bloch group B_n￠(k[e]₂){B_{n}' (k[\varepsilon]_{2})} defined by Goncharov (Adv Math 114:197–318, 1995). We hope that these functions will be useful in the study of weight n motivic cohomology over k[ε]₂.