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New automated and high-throughput quantitative analysis of urinary ketones by multifiber exchange-solid phase microextraction coupled to fast gas chromatography/negative chemical-electron ionization/mass spectrometry. 多纤维交换固相微萃取-快速气相色谱/负化学-电子电离/质谱联用技术用于新型自动化、高通量尿酮定量分析。
Journal of Automated Methods & Management in Chemistry Pub Date : 2010-01-01 Epub Date: 2010-06-15 DOI: 10.1155/2010/972926
Marco Pacenti, Stefano Dugheri, Pietro Traldi, Filippo Degli Esposti, Nicola Perchiazzi, Elena Franchi, Massimo Calamante, Ireneo Kikic, Paolo Alessi, Alice Bonacchi, Edoardo Salvadori, Giulio Arcangeli, Vincenzo Cupelli
{"title":"New automated and high-throughput quantitative analysis of urinary ketones by multifiber exchange-solid phase microextraction coupled to fast gas chromatography/negative chemical-electron ionization/mass spectrometry.","authors":"Marco Pacenti,&nbsp;Stefano Dugheri,&nbsp;Pietro Traldi,&nbsp;Filippo Degli Esposti,&nbsp;Nicola Perchiazzi,&nbsp;Elena Franchi,&nbsp;Massimo Calamante,&nbsp;Ireneo Kikic,&nbsp;Paolo Alessi,&nbsp;Alice Bonacchi,&nbsp;Edoardo Salvadori,&nbsp;Giulio Arcangeli,&nbsp;Vincenzo Cupelli","doi":"10.1155/2010/972926","DOIUrl":"https://doi.org/10.1155/2010/972926","url":null,"abstract":"<p><p>The present research is focused on automation, miniaturization, and system interaction with high throughput for multiple and specific Direct Immersion-Solid Phase Microextraction/Fast Gas Chromatography analysis of the urinary ketones. The specific Mass Spectrometry instrumentation, capable of supporting such the automated changeover from Negative Chemical to Electron Ionization mode, as well as the automation of the preparation procedure by new device called MultiFiber Exchange, through change of the fibers, allowed a friendly use of mass spectrometry apparatus with a number of advantages including reduced analyst time and greater reproducibility (2.01-5.32%). The detection limits for the seven ketones were less than 0.004 mg/L. For an innovative powerful meaning in high-throughput routine, the generality of the structurally informative Mass Spectrometry fragmentation patterns together with the chromatographic separation and software automation are also investigated.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2010 ","pages":"972926"},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2010/972926","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"29121401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 14
A new automated sample transfer system for instrumental neutron activation analysis. 一种用于仪器中子活化分析的新型自动样品传送系统。
Journal of Automated Methods & Management in Chemistry Pub Date : 2010-01-01 Epub Date: 2010-03-29 DOI: 10.1155/2010/389374
S S Ismail
{"title":"A new automated sample transfer system for instrumental neutron activation analysis.","authors":"S S Ismail","doi":"10.1155/2010/389374","DOIUrl":"https://doi.org/10.1155/2010/389374","url":null,"abstract":"<p><p>A fully automated and fast pneumatic transport system for short-time activation analysis was recently developed. It is suitable for small nuclear research reactors or laboratories that are using neutron generators and other neutron sources. It is equipped with a programmable logic controller, software package, and 12 devices to facilitate optimal analytical procedures. 550 ms were only necessary to transfer the irradiated capsule (diameter: 15 mm, length: 50 mm, weight: 4 gram) to the counting chamber at a distance of 20 meters using pressurized air (4 bars) as a transport gas.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2010 ","pages":"389374"},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2010/389374","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"28901904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 15
Development of a multicommutated flow system with chemiluminometric detection for quantification of gentamicin in pharmaceuticals. 多换流化学发光检测系统的研制用于药物中庆大霉素的定量。
Journal of Automated Methods & Management in Chemistry Pub Date : 2010-01-01 Epub Date: 2010-10-13 DOI: 10.1155/2010/913207
Lúcia H M L M Santos, A N Araújo, Boaventura Reis, M C B S M Montenegro
{"title":"Development of a multicommutated flow system with chemiluminometric detection for quantification of gentamicin in pharmaceuticals.","authors":"Lúcia H M L M Santos,&nbsp;A N Araújo,&nbsp;Boaventura Reis,&nbsp;M C B S M Montenegro","doi":"10.1155/2010/913207","DOIUrl":"https://doi.org/10.1155/2010/913207","url":null,"abstract":"<p><p>A new flow procedure based on multicommutation with chemiluminometric detection was developed to quantify gentamicin sulphate in pharmaceutical formulations. This approach is based on gentamicin's ability to inhibit the chemiluminometric reaction between luminol and hypochlorite in alkaline medium, causing a decrease in the analytical signal. The inhibition of the analytical signal is proportional to the concentration of gentamicin sulphate, within a linear range of 1 to 4 μg mL(-1) with a coefficient variation <3%. A sample throughput of 55 samples h(-1) was obtained. The developed method is sensitive, simple, with low reagent consumption, reproducible, and inexpensive, and when applied to the analysis of pharmaceutical formulations (eye drops and injections) it gave results with RSD between 1.10 and 4.40%.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2010 ","pages":"913207"},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2010/913207","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"29382619","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Preparation, Characterization, and Application of Magnetic Fe-SBA-15 Mesoporous Silica Molecular Sieves. 磁性Fe-SBA-15介孔二氧化硅分子筛的制备、表征及应用。
Journal of Automated Methods & Management in Chemistry Pub Date : 2010-01-01 Epub Date: 2010-12-05 DOI: 10.1155/2010/323509
Huayu Huang, Yongsheng Ji, Zhenfeng Qiao, Chuande Zhao, Jianguo He, Haixia Zhang
{"title":"Preparation, Characterization, and Application of Magnetic Fe-SBA-15 Mesoporous Silica Molecular Sieves.","authors":"Huayu Huang,&nbsp;Yongsheng Ji,&nbsp;Zhenfeng Qiao,&nbsp;Chuande Zhao,&nbsp;Jianguo He,&nbsp;Haixia Zhang","doi":"10.1155/2010/323509","DOIUrl":"https://doi.org/10.1155/2010/323509","url":null,"abstract":"<p><p>Magnetic Fe-SBA-15 mesoporous silica molecular sieves were prepared, characterized, and used for magnetic separation. Wet impregnation, drying, and calcination steps led to iron inclusion within the mesopores. Iron oxide was reduced to the metal form with hydrogen, and the magnetic Fe-SBA-15 was obtained. Fourier-transform infrared spectroscopy confirmed the preparation process from the oxide to metal forms. The structure of magnetic materials was confirmed by Mössbauer spectra. Powder X-ray diffraction data indicated that the structure of Fe-SBA-15 retained the host SBA-15 structure. Brunauer-Emmett-Teller analysis revealed a decrease in surface area and pore size, indicating Fe-SBA-15 coating on the inner surfaces. Scanning electron micrographs confirmed the decrease in size for modified SBA-15 particles. From scanning electron micrographs, it was found that the size of the modified SBA-15 particles decreased. Transmission electron micrographs also confirmed that modified SBA-15 retained the structure of the parent SBA-15 silica. Fe-SBA-15 exhibited strong magnetic properties, with a magnetization value of 8.8 emu g(-1). The iron content in Fe-SBA-15 was determined by atom adsorption spectroscopy. Fe-SBA-15 was successfully used for the magnetic separation of three aromatic compounds in water. Our results suggest wide applicability of Fe-SBA-15 magnetic materials for the rapid and efficient separation of various compounds.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2010 ","pages":"323509"},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2010/323509","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"29530332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 26
Simultaneous determination of copper, lead, and cadmium at hexagonal mesoporous silica immobilized quercetin modified carbon paste electrode. 六方介孔二氧化硅固定化槲皮素修饰碳糊电极同时测定铜、铅和镉。
Journal of Automated Methods & Management in Chemistry Pub Date : 2010-01-01 Epub Date: 2010-04-27 DOI: 10.1155/2010/824197
Fangquan Xia, Xin Zhang, Changli Zhou, Danzi Sun, Yanmin Dong, Zhen Liu
{"title":"Simultaneous determination of copper, lead, and cadmium at hexagonal mesoporous silica immobilized quercetin modified carbon paste electrode.","authors":"Fangquan Xia,&nbsp;Xin Zhang,&nbsp;Changli Zhou,&nbsp;Danzi Sun,&nbsp;Yanmin Dong,&nbsp;Zhen Liu","doi":"10.1155/2010/824197","DOIUrl":"https://doi.org/10.1155/2010/824197","url":null,"abstract":"<p><p>A new method was developed for simultaneous determination of copper, lead, and cadmium, based on their voltammetric response at a carbon paste electrode modified with hexagonal mesoporous silica (HMS) immobilized quercetin (HMS-Qu/CPE). Compared with quercetin modified carbon paste electrode (Qu/CPE) and quercetin ionic liquid modified carbon paste electrode (Qu-IL/CPE), the HMS-Qu/CPE exhibited improved selectivity and high sensitivity toward the detection of copper, lead, and cadmium. The properties of the HMS-Qu/CPE in 0.1 M HCOONa-HCl buffer solution (pH 4.7) were investigated by adsorptive stripping voltammetry (ASV) and electrochemical impedance spectroscopy (EIS). The electrochemical behavior of copper, lead, and cadmium at the modified electrodes and factors affecting the preconcentration procedures were also investigated. Detection limits of 5.0, 0.8, 1.0 nM for copper, lead, and cadmium were obtained, respectively. The method is simple, fast, sensitive, and selective, and is successfully applied to soil sample.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2010 ","pages":"824197"},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2010/824197","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"28966110","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 27
[Not Available]. (不可用)。
Journal of Automated Methods & Management in Chemistry Pub Date : 2009-01-01 Epub Date: 2009-06-11 DOI: 10.1155/2009/291820
Xiao-Ping Yu, Lu Xu, Ru-Qin Yu
{"title":"[Not Available].","authors":"Xiao-Ping Yu,&nbsp;Lu Xu,&nbsp;Ru-Qin Yu","doi":"10.1155/2009/291820","DOIUrl":"https://doi.org/10.1155/2009/291820","url":null,"abstract":"<p><p>In our recent work, Monte Carlo Cross Validation Stacked Regression (MCCVSR) is proposed to achieve automatic optimization of spectral interval selection in multivariate calibration. Though MCCVSR performs well in normal conditions, it is still necessary to improve it for more general applications. According to the well-known principle of \"garbage in, garbage out (GIGO)\", as a precise ensemble method, MCCVSR might be influenced by outlying and very bad submodels. In this paper, a statistical test is designed to exclude the ruinous submodels from the ensemble learning process, therefore, the combination process becomes more reliable. Though completely automated, the proposed method is adjustable according to the nature of the data analyzed, including the size of training samples, resolution of spectra and quantitative potentials of the submodels. The effectiveness of the submodel refining is demonstrated by the investigation of a real standard data.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2009 ","pages":"291820"},"PeriodicalIF":0.0,"publicationDate":"2009-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2009/291820","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"28259826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Interactive data mining for molecular graphs. 分子图的交互式数据挖掘。
Journal of Automated Methods & Management in Chemistry Pub Date : 2009-01-01 Epub Date: 2009-12-20 DOI: 10.1155/2009/502527
Burcu Yilmaz, Mehmet Göktürk
{"title":"Interactive data mining for molecular graphs.","authors":"Burcu Yilmaz,&nbsp;Mehmet Göktürk","doi":"10.1155/2009/502527","DOIUrl":"https://doi.org/10.1155/2009/502527","url":null,"abstract":"<p><p>Designing new medical drugs for a specific disease requires extensive analysis of many molecules that have an activity for the disease. The main goal of these extensive analyses is to discover substructures (fragments) that account for the activity of these molecules. Once they are discovered, these fragments are used to understand the structure of new drugs and design new medicines for the disease. In this paper, we propose an interactive approach for visual molecule mining to discover fragments of molecules that are responsible for the desired activity with respect to a specific disease. Our approach visualizes molecular data in a form that can be interpreted by a human expert. Using a pipelining structure, it enables experts to contribute to the solution with their expertise at different levels. In order to derive desired fragments, it combines histogram-based filtering and clustering methods in a novel way. This combination enables a flexible determination of frequent fragments that repeat in molecules exactly or with some variations.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2009 ","pages":"502527"},"PeriodicalIF":0.0,"publicationDate":"2009-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2009/502527","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"28628230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
[Not Available]. (不可用)。
Journal of Automated Methods & Management in Chemistry Pub Date : 2009-01-01 Epub Date: 2009-06-02 DOI: 10.1155/2009/927426
Diab Mokeddem, Abdelhafid Khellaf
{"title":"[Not Available].","authors":"Diab Mokeddem,&nbsp;Abdelhafid Khellaf","doi":"10.1155/2009/927426","DOIUrl":"https://doi.org/10.1155/2009/927426","url":null,"abstract":"<p><p>Optimal design problem are widely known by their multiple performance measures that are often competing with each other. In this paper, an optimal multiproduct batch chemical plant design is presented. The design is firstly formulated as a multiobjective optimization problem, to be solved using the well suited non dominating sorting genetic algorithm (NSGA-II). The NSGA-II have capability to achieve fine tuning of variables in determining a set of non dominating solutions distributed along the Pareto front in a single run of the algorithm. The NSGA-II ability to identify a set of optimal solutions provides the decision-maker DM with a complete picture of the optimal solution space to gain better and appropriate choices. Then an outranking with PROMETHEE II helps the decision-maker to finalize the selection of a best compromise. The effectiveness of NSGA-II method with multiojective optimization problem is illustrated through two carefully referenced examples.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2009 ","pages":"927426"},"PeriodicalIF":0.0,"publicationDate":"2009-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2009/927426","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"28256881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 23
Automated Monitoring of the Establishment of the Adsorption Equilibrium: Adsorption of Polyethylene from 1,2,4-Trichlorobenzene onto a Zeolite at Temperature 140 degrees C. 吸附平衡建立的自动监测:在140℃沸石上吸附1,2,4-三氯苯的聚乙烯。
Journal of Automated Methods & Management in Chemistry Pub Date : 2009-01-01 Epub Date: 2009-08-23 DOI: 10.1155/2009/357026
Tibor Macko, Robert Brüll, Christoph Brinkmann, Harald Pasch
{"title":"Automated Monitoring of the Establishment of the Adsorption Equilibrium: Adsorption of Polyethylene from 1,2,4-Trichlorobenzene onto a Zeolite at Temperature 140 degrees C.","authors":"Tibor Macko,&nbsp;Robert Brüll,&nbsp;Christoph Brinkmann,&nbsp;Harald Pasch","doi":"10.1155/2009/357026","DOIUrl":"https://doi.org/10.1155/2009/357026","url":null,"abstract":"<p><p>The automated procedure for the monitoring of the adsorption process in the solute-sorbent-solvent system has been elaborated. It uses commercially available instrument CRYSTAF model 200. The application of CRYSTAF enabled monitoring of adsorption of linear polyethylene with weight average molar masses of 2, 14, and 53 kg/mol from 1,2,4-trichlorobenzene onto zeolite SH-300 at temperature as high as 140 degrees C. It is the authors' understanding that this is the first demonstration of an adsorption isotherms for polyethylene. The measurement with the CRYSTAF instrument reduces manual manipulations with dangerous solvents at high temperature and enables automated long-time monitoring of the concentration of the solute in an adsorption system.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2009 ","pages":"357026"},"PeriodicalIF":0.0,"publicationDate":"2009-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2009/357026","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"28362691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Virtual Instrument for Determining Rate Constant of Second-Order Reaction by pX Based on LabVIEW 8.0. 基于labview8.0的pX二级反应速率常数测定虚拟仪器。
Journal of Automated Methods & Management in Chemistry Pub Date : 2009-01-01 Epub Date: 2009-08-31 DOI: 10.1155/2009/849704
Hu Meng, Jiang-Yuan Li, Yong-Huai Tang
{"title":"Virtual Instrument for Determining Rate Constant of Second-Order Reaction by pX Based on LabVIEW 8.0.","authors":"Hu Meng,&nbsp;Jiang-Yuan Li,&nbsp;Yong-Huai Tang","doi":"10.1155/2009/849704","DOIUrl":"https://doi.org/10.1155/2009/849704","url":null,"abstract":"<p><p>The virtual instrument system based on LabVIEW 8.0 for ion analyzer which can measure and analyze ion concentrations in solution is developed and comprises homemade conditioning circuit, data acquiring board, and computer. It can calibrate slope, temperature, and positioning automatically. When applied to determine the reaction rate constant by pX, it achieved live acquiring, real-time displaying, automatical processing of testing data, generating the report of results; and other functions. This method simplifies the experimental operation greatly, avoids complicated procedures of manual processing data and personal error, and improves veracity and repeatability of the experiment results.</p>","PeriodicalId":15248,"journal":{"name":"Journal of Automated Methods & Management in Chemistry","volume":"2009 ","pages":"849704"},"PeriodicalIF":0.0,"publicationDate":"2009-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2009/849704","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"28383702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 8
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