Two-dimensional correlation analysis of continuous online in situ ATR-FTIR on the adsorption of butyl xanthate at the surface of a-PbO

The adsorption behavior of butyl xanthate on the surface of lead oxide was investigated using continuous online in situ attenuated total reflectance Fourier transform infrared（ATR-FTIR） spectroscopy technique and two dimensional（2D） correlation analysis.The adsorbed layer studied was prepared by coating α-PbO particles onto the surfaces of the ZnSe crystal.The appearance of spectral peaks at 1203 cm^-1,1033 cm^-1 and their red shift indicated the formation and aggregation of xanthate at the surface of α-PbO.According to 1R intensity changes after rinsing with deionized water and a NaOH solution,the adsorption was proved to be a chemisorption type.The competition between xanthate and OH for the surfaces leads to desorption of xanthate at higher pH.The technique of 2D correlation ATR-FTIR spectroscopy was used to evaluate the changing order of spectral intensities in the adsorption process,and the results indicated that xanthate micelles were formed at the surfaces.The adsorption kinetics of butyl xanthate was found to be a pseudo-second-order reaction model and the adsorption capacity of butyl xanthate at α-PbO was as high as 281 mg g^-1 after 150 min.     

基于MP-AES的在线检测技术在地表水中重金属监测中的应用

通过集成在线富集和在线热消解技术,建立了基于微波等离子体原子发射光谱法(MP-AES)的地表水中重金属的在线检测技术,对珠江干流之一的西江水样中重金属元素(Cd,Cu,Cr,Ni,Pb,Fe,Mn和Zn)进行现场同时在线监测。结果表明,该在线检测技术对这些重金属元素的定量检测能力满足地表水环境质量标准(GB 3838-2002)的限量要求;据环境标准样品中重金属元素分析结果,测定值与配制标准值一致;自来水加标样品的回收率为81.5%~102%。该检测技术对重金属的检出限为1.14~5.34μg/L,检测结果的相对标准偏差(RSD)为0.79%~9.4%,方法可满足地表水中重金属的现场、快速、连续、准确监测需求。     

整体柱在线固相微萃取-高效液相色谱法分析爽肤水中痕量雌激素

以甲基丙烯酸缩水甘油酯(GMA)为功能单体、乙二醇二甲基丙烯酸酯(EDMA)为交联剂,偶氮二异丁腈(AIBN)为引发剂、甲醇及正己烷(14∶5,v/v)为二元致孔剂,通过原位聚合反应制备了聚甲基丙烯酸缩水甘油酯(Poly(GMA-co-EDMA))毛细管整体柱。研究表明,制备的Poly(GMA-co-EDMA)整体柱具有良好的通透性和较低的柱压(1.5×106Pa,冲洗流速0.5 mL/min)。该整体柱对雌二醇、炔雌醇、雌酮和己烯雌酚的富集倍数分别为86、116、77和86。构建了整体柱在线微萃取接口装置,建立了整体柱在线固相微萃取-高效液相色谱(HPLC)测定爽肤水中痕量雌二醇、炔雌醇、雌酮和己烯雌酚的分析方法。该分析方法的检出限(S/N=3)为0.05~0.20μg/L。将方法应用于爽肤水中雌激素的检测,加标回收率为69.3%~111.3%,RSD5.0%。所建立的方法简单、快速、灵敏、准确,可满足爽肤水中痕量雌激素的分析。     

A correlative classifiers approach based on particle filter and sample set for tracking occluded target

Target tracking is one of the most important issues in computer vision and has been applied in many fields of science, engineering and industry. Because of the occlusion during tracking, typical approaches with single classifier learn much of occluding background information which results in the decrease of tracking performance, and eventually lead to the failure of the tracking algorithm. This paper presents a new correlative classifiers approach to address the above problem. Our idea is to derive a group of correlative classifiers based on sample set method. Then we propose strategy to establish the classifiers and to query the suitable classifiers for the next frame tracking. In order to deal with nonlinear problem, particle filter is adopted and integrated with sample set method. For choosing the target from candidate particles, we define a similarity measurement between particles and sample set. The proposed sample set method includes the following steps. First, we cropped positive samples set around the target and negative samples set far away from the target. Second, we extracted average Haar-like feature from these samples and calculate their statistical characteristic which represents the target model. Third, we define the similarity measurement based on the statistical characteristic of these two sets to judge the similarity between candidate particles and target model. Finally, we choose the largest similarity score particle as the target in the new frame. A number of experiments show the robustness and efficiency of the proposed approach when compared with other state-of-the-art trackers.     

Computational analysis for the determination of deleterious nsSNPs in human MTHFD1 gene

Single nucleotide polymorphisms (SNPs) are the most common genetic polymorphisms and play a major role in many inherited diseases. Methylenetetrahydrofolate dehydrogenase 1 (MTHFD1) is one of the enzymes involved in folate metabolism. In the present study, the functional and structural consequences of nsSNPs of human MTHFD1 gene was analyzed using various computational tools like SIFT, PolyPhen2, PANTHER, PROVEAN, SNAP2, nsSNPAnalyzer, PhD-SNP, SNPs&GO, I-Mutant, MuPro, ConSurf, InterPro, NCBI Conserved Domain Search tool, ModPred, SPARKS-X, RAMPAGE, FT Site and PyMol. Out of 327 nsSNPs form human MTHFD1 gene, total 45 SNPs were predicted as functionally most significant SNPs, among which 17 were highly conserved and functional, 17 were highly conserved and structural residues. Among 45 most significant SNPs, 15 were predicted to be involved in post translational modifications. The p.Gly165Arg may interfere in homodimer interface formation. The p.Asn439Lys and p.Asp445Asn may interfere in binding interactions of MTHFD1 protein with cesium cation and potassium. The two SNPs (p.Asp562Gly and p.Gly637Cys) might interfere in interactions of MTHFD1 with ligand.     

Hydrophilic interaction liquid chromatography tandem mass spectrometry analysis of malonyl‐coenzyme A in breast cancer cell cultures applying online solid‐phase extraction

Cofactors such as coenzyme A and its derivatives acetyl‐coenzyme A and malonyl‐coenzyme A are involved in many metabolic pathways. Due to trace level concentrations in biological samples and the high reactivity of cofactors, a fast, sensitive, and selective method for quantification is mandatory. In this study, online solid‐phase extraction was coupled successfully to hydrophilic interaction liquid chromatography with tandem mass spectrometry for isolation of analytes in complex matrix and quantification by external calibration. Online solid‐phase extraction was carried out by application of a weak anion‐exchange column, whereas hydrophilic interaction liquid chromatography separation was performed on an amide modified stationary phase. Sample preparation of the extracts before the analysis was reduced to a centrifugation and dilution step. Moreover, the applied online solid‐phase extraction significantly reduced matrix effects and increased the signal‐to‐noise ratio. The limit of detection and the limit of quantification were in the lower nanomolar range. Finally, the applicability of this method was demonstrated on MCF‐7 breast cancer cell cultures, a commonly used model system, where acetyl‐coenzyme A and malonyl‐coenzyme A were determined using standard addition procedure in concentrations of 1.98 μM and 41 nM, respectively.     

基于特殊路径的局内车辆路径问题混合策略研究

针对运输途中遇到的某一或一系列无法预知的堵塞事件对决策者路径选择策略的影响,考虑堵塞只发生在一条特殊路径上且可恢复的情况,采用局内竞争分析的思想,建立了局内车辆路径问题的数学模型,对车辆到达堵塞点时堵塞恢复时间未知这一情形下的路径选择问题,提出了两种混合策略,给出了相应的竞争比,并对其竞争性能进行了理论分析。     

Bayesian statistical process control for Phase I count type data

Count data, most often modeled by a Poisson distribution, are common in statistical process control. They are traditionally monitored by frequentist c or u charts, by cumulative sum and by exponentially weighted moving average charts. These charts all assume that the in‐control true mean is known, a common fiction that is addressed by gathering a large Phase I sample and using it to estimate the mean. “Self‐starting” proposals that ameliorate the need for a large Phase I sample have also appeared. All these methods are frequentist, ie, they allow only retrospective inference during Phase I, and they have no coherent way to incorporate less‐than‐perfect prior information about the in‐control mean. In this paper, we introduce a Bayesian procedure that can incorporate prior information, allow online inference, and should be particularly attractive for short‐run settings where large Phase I calibration exercises are impossible or unreasonable.     

考虑预付定金和退货的SMPEs产品定价与优化策略

借鉴中小制造型企业(SMPEs)在线渠道预售模式,考虑市场中存在预付订金和不预付订金的顾客,并将其退货情况引入到生产商利润表达式中,构建确定性和随机性市场需求下的SMPEs产品销售利润最大化模型,推导生产商产品最优定价的解析解;对比两种销售模式的利润,得到了生产商选择不同销售策略的条件。进一步考虑预付定金的产品数量、预交定金比例、退货数量是关于价格折扣敏感的情况,采用拉格朗日乘子法对生产商产品定价及优化问题进行研究,分析求得生产商销售策略(产品定价和价格折扣)的近似最优解。最后,通过数值算例对研究结论进行了验证并给出经济学解释。     

负载均衡问题

自Ron Graham20世纪60年代发表第一篇负载均衡算法的论文以来,平行机排序作为组合优化近似算法理论的首个问题引起了学界的广泛兴趣,其本身研究的不断深化也一路见证了该领域的发展历程.介绍负载均衡问题的来龙去脉,特别是作者所在团队在相关问题的研究进展,从算法和复杂性不同的视角分析经典问题的计算本质,并对未来的研究提出一些建议.