An integrated method for degradation products detection and characterization using hybrid ion trap/time-of-flight mass spectrometry and data processing techniques: Application to study of the degradation products of danofloxacin under stressed conditions

A new strategy using hybrid ion trap/time-of-flight mass spectrometry coupled with high-performance liquid chromatography and post-acquisition data mining techniques was developed and applied to the detection and characterization of degradation products of danofloxacin. The degradation products formed under different forced conditions were separated using an ODS-C18 column with gradient elution. Accurate full-scan MS data were acquired in the first run and processed with the combination of extracted ion chromatograms and LC-UV chromatograms. These processes were able to find accurate molecular masses of possible degradation products. Then, the accurate MS/MS data acquired through data-dependent analysis mode in another run facilitated the structural elucidations of degradation products. As a result, a total of 11 degradation products of danofloxacin were detected and characterized using the developed method. Overall, this analytical strategy enables the acquisition of accurate-mass LC/MS data, search of a variety of degradation products through the post-acquisition processes, and effective structural characterization based on elemental compositions of degradation product molecules and their product ions. The ability to measure degradation products via tandem mass spectrometry coupled with accurate mass measurement, all in only two experimental runs, is one of the most attractive features of this methodology. The results demonstrate that use of the LC/MS-IT-TOF approach appears to be rapid, efficient and reliable in structural characterization of drug degradation products.     

DARBOUX TRANSFORMATION OF A NONLINEAR EVOLUTION EQUATION AND ITS EXPLICIT SOLUTIONS

In this paper, we study a differential-difference equation associated with discrete 3 × 3 matrix spectral problem. Based on gauge transformation of the spectral problm, Darboux transformation of the differential-difference equation is given. In order to solve the differential-difference equation, a systematic algebraic algorithm is given. As an application, explicit soliton solutions of the differential-difference equation are given.     

Occurrence and estimation of trans-resveratrol in one-year-old canes from seven major Chinese grape producing regions

The concentration of trans-resveratrol in 165 grape cane samples from three major grape production regions and four large distribution centers of Chinese wild Vitis species were determined by reversed-phase high-performance liquid chromatography (HPLC). Among the different genotype groups and purpose of uses, cultivars of V. vinifera had much higher amounts of trans-resveratrol than did the cultivars of both V. labrusca or V. labrusca and V. vinifera hybrids, and within the V. vinifera species, significantly higher amounts of trans-resveratrol were found in wine grapes compared to table ones. No significant differences were observed between V. labrusca and its hybrids from crosses with V. vinifera, and between red cultivars and white ones (P < 0.05 or P < 0.01). The contents of trans-resveratrol, as a normal constituent occurring in grape canes, in Chinese wild species of V. amurensis, V. pentagona, and V. davidii from their native habitats were also relatively high.     

Bioactive metabolites from biotransformation of paeonol by the white-rot basidiomycete Coriolus versicolor

Biotransformation of paeonol (1) with the white-rot basidiomycete Coriolus versicolor afforded two metabolites, 2,4-dihydroxyacetophenone (2) and 2,5-dihydroxy-4-methoxyacetophenone (3), which were identified by spectroscopic methods. Compound 3 showed higher antioxidative, antibacterial, antifungal activities than 1 or 2. The results demonstrate for the first time that C. versicolor has the capacities to catalyze hydroxylation and demethylation reactions on the aromatic compound.     

关于定积分近似计算中矩形法的误差估计

利用拉格朗日中值定理给出复合矩形法的误差估计,并指出复合矩形法只有在等分的次数很大的时候才能比较精确的估计所求定积分的值.最后,给出复合矩形法、复合梯形法及复合抛物线法的误差估计实例.     

二重反常积分概念的学习与教学

重述二重反常积分的概念,采用具体例题解释这一概念的本质;建立二重反常积分在一定条件下的计算方法,并举例说明其应用..     

一个与Dedekind和相关的新和式及其在特殊点的值

本文利用正整数模q的正则数的定义以及解析方法研究一类与Dedekind和有关的和式的计算问题,并给出这个和式在一些特殊点上有趣的恒等式.     

界面弧形裂纹对混凝土开裂强度的影响研究

混凝土由于水分蒸发、干缩、泌水以及骨料与砂浆变形不一致等原因会导致骨料与砂浆的界面层中产生弧形裂纹,从而对混凝土开裂强度产生很大影响.从细观角度将混凝土视作由粗骨料和水泥砂浆组成的两相复合材料,并将界面层视为粗骨料与水泥砂浆的接触层进行分析.首先基于相互作用直推估计(interaction direct derivative, IDD)法,考虑混凝土中骨料颗粒的相互作用,将施加在混凝土表征体积元的远场外荷载等效为无限大基体中含单一骨料的等效外荷载.然后,将等效外荷载转化为最大和最小主应力,基于断裂力学理论得到界面层中弧形裂纹的应力强度因子,并根据复合型裂纹幂准则判断弧形裂纹是否发生开裂,进而来研究混凝土开裂强度的变化规律.通过与数值模拟结果的比较,验证了界面弧形裂纹应力强度因子解析解的有效性,参数分析结果表明,当裂纹与最大主应力垂直或与最小主应力呈45°夹角时,骨料周围弧形裂纹最易发生开裂破坏.随着裂纹长度增加,混凝土受拉和受压开裂强度先减小后增大,且均存在最不利的裂纹长度.混凝土开裂强度随着骨料体积分数的增加而增大,随着骨料粒径的增大而减小.在裂纹长度较小时,增大骨料的弹性模量有利于提高混凝土开裂强度.骨料周围承受同号应力可以提高混凝土的开裂强度,反之,异号应力会降低开裂强度.     

竞争情形下服务商质量保证策略研究

质量保证策略是服务商获取竞争力的重要手段之一。本文在考虑服务商及其竞争对手的质量承诺水平和质量承诺补偿对其服务需求影响的基础上,构建了质量承诺水平、质量承诺补偿、质量承诺水平和质量承诺补偿三种竞争情形下的博弈模型,并系统分析了不同模型下的质量保证策略。研究发现:一旦有服务商提高质量承诺水平或质量承诺补偿,在质量承诺水平竞争模型下,其他服务商可适当地降低质量承诺水平,而在质量承诺补偿竞争模型下,其他服务商会同时提高质量承诺补偿。此外,在质量承诺水平和质量承诺补偿竞争模型下,若质量承诺水平的成本系数满足一定条件,各个服务商之间会存在纳什均衡。本文对服务市场竞争情形下服务商质量保证策略的制定具有一定的实践意义。     

Measurement of chlorophyll in water based on laser-induced fluorescence spectroscopy: Using spiral-wound unclad optical fiber system and partial least squares regression

The feasibility of laser-induced fluorescence (LIF) method for chlorophyll concentration determination in water was investigated in this study. The chlorophyll fluorescence spectra were received by a spiral-wound unclad optical fiber system. Baseline and smoothing correction methods were studied. Statistical equations were established between reference data and fluorescence spectra by linear regression and partial least squares (PLSs) regression. The PLS regression outperformed linear regression by higher correlation coefficient of 0.9996063 and root mean square error value of 0.0221807. Based on the results, it was concluded that laser-induced fluorescence method with a spiral-wound unclad optical fiber system was suitable for chlorophyll concentration determination in water, and PLS regression was a reliable method for fluorescence spectra analysis.