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A data selection method for matrix effects and uncertainty reduction for laser-induced breakdown spectroscopy

Plasma Science and Technology 2023年第7期25卷 82-89页

作者：龙杰宋惟然侯宗余王哲 State Key Laboratory of Power System Operation and Control Systems International Joint Laboratory on Low Carbon Clean Energy InnovationDepartment of Energy and Power EngineeringTsinghua UniversityBeijing 100084People’s Republic of China Shanxi Research Institute for Clean Energy Tsinghua UniversityTaiyuan 030032People’s Republic of China

Severe matrix effects and high signal uncertainty are two key bottlenecks for the quantitative performance and wide applications of laser-induced breakdown spectroscopy(LIBS).Based on the understanding that the superposition of both matrix effects and signal uncertainty directly affects plasma parameters and further influences spectral intensity and LIBS quantification performance,a data selection method based on plasma temperature matching(DSPTM)was proposed to reduce both matrix effects and signal *** selecting spectra with smaller plasma temperature differences for all samples,the proposed method was able to build up the quantification model to rely more on spectra with smaller matrix effects and signal uncertainty,therefore improving final quantification *** applied to quantitative analysis of the zinc content in brass alloys,it was found that both accuracy and precision were improved using either a univariate model or multiple linear regression(MLR).More specifically,for the univariate model,the root-mean-square error of prediction(RMSEP),the determination coefficients(R^(2))and relative standard derivation(RSD)were improved from 3.30%,0.864 and 18.8%to 1.06%,0.986 and 13.5%,respectively;while for MLR,RMSEP,R^(2)and RSD were improved from 3.22%,0.871 and 26.2%to 1.07%,0.986 and 17.4%,*** results prove that DSPTM can be used as an effective method to reduce matrix effects and improve repeatability by selecting reliable data.

关键词： laser-induced breakdown spectroscopy(LIBS) quantification uncertainty univariate/multivariate analysis matrix effects temperature matching

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Three-dimensional aspects of formulation excipients in drug discovery:a critical assessment on orphan excipients,matrix effects and drug interactions

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Journal of Pharmaceutical Analysis 2020年第6期10卷 522-531页

作者： Vijayabhaskar Veeravalli Hanumanth Srikanth Cheruvu Pratima Srivastava Lakshmi Mohan Vamsi Madgula Syngene International Limited Biocon ParkSEZBommasandra Industrial Area-Phase-IV Bommasandra-Jigani Link RoadBangalore560099India GVK BIO Pvt Ltd NacharamHyderabadTelangana500076India

Formulation/pharmaceutical excipients play a major role in formulating drug candidates,with the objectives of ease of administration,targeted delivery and complete *** excipients used in pharmaceutical formulations are orphanized in preclinical drug *** orphan excipients could enhance formulatability of highly lipophilic ***,they are safe in preclinical species when used below the LD50 ***,when the excipients are used in formulating compounds with diverse physico-chemical properties,they pose challenges by modulating study results through their bioanalytical matrix *** invariably present in study samples and not in the calibration curve standards cause over-/under-estimation of ***,the mechanism by which excipients cause matrix effects and strategies to nullify these effects needs to be ***,formulation excipients cause drug interactions by moderating the pathways of drug metabolizing enzymes and drug transport *** it is not possible to get rid of excipient driven interactions,it is always advised to be aware of these interactions and apply the knowledge to draw meaningful conclusions from study *** this review,we will comprehensively discuss a)orphan excipients that have wider applications in preclinical formulations,b)bioanalytical matrix effects and possible approaches to mitigating these effects,and c)excipient driven drug interactions and strategies to alleviate the impacts of drug interactions.

关键词： Formulation excipients Preclinical Drug discovery matrix effects Drug interactions Bioanalysis Pharmacokinetics Formulation development

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Elimination of matrix effects during analysis of perfluorinated acids in solid samples by liquid chromatography tandem mass spectrometry

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Journal of Central South University 2012年第10期19卷 2886-2894页

作者：李飞赵志领沈春花曾庆玲刘淑坡 College of Civil Engineering Huaqiao University

matrix effects can significantly hamper the accuracy and precision of the analysis results of perfluorinated acids （PFAs） in environmental solid samples. Several methods, such as standard addition, isotopically labeled internal standards, clean-up of SPE （solid phase extraction） eluents by dispersive graphitized carbon sorbent and substitution of eletrospray ionization （ESI） source by atmosphere pressure photoionization （APPI） source, were demonstrated for elimination of matrix effects in quantitative analysis of PFAs in solid samples. The resuRs indicate that matrix effects can be effectively eliminated by standard addition, but instrumental analysis time will be multiplied. Isotopically labeled internal standards can effectively negate matrix effects of PFAs with the same perfluorocarbon chain length, but is not valid for the other analytes. Although APPI can eliminate matrix effects for all analytes, it is only suitable for analysis of high pollution levels samples. Clean-up of SPE eluents by dispersive graphitized carbon sorbent not only effectively negate the impact of matrix effect, but also avoid frequent clean of the ESI in order to maintain instrumental sensitivity. Therefore, the best method for elimination of matrix effects is the usage of dispersive graphitized carbon sorbent for clean-up of SPE elution.

关键词： matrix effects perfluorinated acids solid samples hydrophobic organic contaminants

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matrix effects of Fourteen Organophosphorus Pesticides Residues in Nine Kinds of Vegetable Matrices

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Plant Diseases and Pests 2014年第1期5卷 39-44页

作者： Zhao Jianbo Li Deyu Yu Qiaolan Du Fengshan Luo Junxia Zhengzhou Gardening Workstation Zhengzhou Inspection Center of Agricultural Product Quality

The matrix effects of 14 organophosphorus pesticides in 9 kinds of vegetables matrices were preliminarily studied by gas chromatography/flame photomet- ric detection（FPD） in the paper. The matrix effects of 14 organophosphoms pesticides in 9 kinds of vegetable matrices at 0.05, 0.1 and 0.2 mg/L were compared, respectively. The results showed that matrix enhancement effect and matrix attenuation effect existed in all cases, while matrix effects did not have strong correlation with concentrations of pesticides, but were related to species of vegetables and structure and polarity of pesticides.

关键词： Gas chromatography Vegetable Pesticide residue matrix effects Concentration

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effects of local matrix environment on the spectroscopic properties of ensemble to single-particle level carbon dots

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Chinese Chemical Letters 2022年第2期33卷 751-756页

作者： Zhihong Wei Boyang Wang Mingcai Xie Daocheng Hong Xin Yang Sushu Wan Weiqing Yang Siyu Lu Yuxi Tian Key Laboratory of Mesoscopic Chemistry of MOE School of Chemistry and Chemical EngineeringJiangsu Key Laboratory of Vehicle Emissions ControlNanjing UniversityNanjing 210023China Green Catalysis Center and College of ChemistryZhengzhou UniversityZhengzhou 450001China Key Laboratory for Advanced Technology in Environmental Protection of Jiangsu Province Yancheng Institute of TechnologyYancheng 224051China

Carbon dots(CDs), because of their unique properties, are being rapidly developed as important luminescent materials for imaging, sensing, and use in photonic devices. However, most of the reported fundamental properties of the CDs are results of investigations conducted in the solution state, which may be completely different from those conducted in the solid state. In this work, we study the luminescence properties, photostability, and the dynamics of CDs in different matrix environments, from ensemble to the single-particle level. We observed that the properties associated with the emission centers and photostability of CDs were extremely sensitive to the local chemical environment. A better understanding of the dependence of the spectroscopic properties of CDs on the complex local chemical environment is an important step toward finding new ways of controlling the optical properties of CDs and optimizing their use in various applications.

关键词： Carbon dots matrix effects Single-particle Photostability Blinking

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Study of Spectral Character of Alkali Metals Using Microwave Plasma Torch Simultaneous Spectrometer

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Chemical Research in Chinese Universities 2006年第6期22卷 703-707页

作者： FENG Guo-dong WAN Yi HUAN Yan-fu JIANG jie LI Ming CAO Yan-bo YU Ai-min JIN Qin-han Institute of Miniature Analytical Instrumentation College of Chemistry Jilin University Jilin Province Research Center for Engineering and Technology of Spectral Instruments Changchun 130023 P. R. China

A microwave plasma torch （MPT） simultaneous spectrometer was used to study the spectral character and the matrix effect on alkali metal ions in solution. The main parameters were optimized. The microwave forward power was 100 W. The argon flow rate that was used to sustain the Ar-MPT included the flow rate of carrier gas and the flow rate of support gas, which were 0. 8 and 1.0 L/min, respectively. The HC1 concentration in the solution was 0.02 mol/L. The observation height was 9. 0 ram. The detection limits of Li, Na, K, Rb, and Cs were 0. 0003, 0. 0004, 0. 009, 0.07 and 2.4 mg/L, respectively, and the resuhs obtained by the Ar-MPT were compared with those obtained by argon inductively coupled plasma（Ar-ICP） and argon microwave induced plasma（Ar-MIP）. The interference effects of several matrix elements were also studied.

关键词： Alkali metals Microwave plasma torch Simultaneous spectrometer matrix effects

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Quantitative analysis of the main components in ceramic raw materials based on the desktop LIBS analyzer

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Plasma Science and Technology 2022年第8期24卷 46-54页

作者： Peng ZHANG Lanxiang SUN Haibin YU Peng ZENG State Key Laboratory of Robotics Shenyang Institute of AutomationChinese Academy of SciencesShenyang 110016People's Republic of China Key Laboratory of Networked Control Systems Chinese Academy of SciencesShenyang 110016People's Republic of China Institutes for Robotics and Intelligent Manufacturing Chinese Academy of SciencesShenyang 110016People's Republic of China

The concentrations of SiO,Al2O,KO,NaO,CaO,MgO,Fe2Oand TiO,and loss on ignition(L.O.I.) are the main inorganic components of geological *** of the eight oxides and *** also the main indicators of concern in the production of building *** analysis of the eight oxides and *** performed using fiber-laserbased laser-induced breakdown spectroscopy(LIBS).A combination of continuous background deduction,full width at half maximum(FWHM) intensity integral and spectral sum normalization was proposed for data *** the data processing combined the continuous background deduction,FWHM intensity integral and spectral sum normalization,the mean absolute errors(MAEs) of the calibration of L.O.I.,SiO,Al2O,KO,NaO,CaO,MgO,Fe2Oand TiOwas reduced from 2.03%,12.06%,4.84%,1.10%,0.69%,0.31%,0.11%,0.20%and 0.10% to 1.80%,9.48%,2.12%,0.36%,0.58%,0.11%,0.08%,0.19% and 0.05%,*** multivariate method was further introduced and discussed to improve the analysis *** MAEs of L.O.I.,SiO,Al2O,KO and NaO were further reduced to1.12%,2.07%,1.38%,0.35% and 0.43%,*** results show that the overall prediction error can meet the requirements for the production of building *** LIBS desktop analyzer has great potential in detection applications on geological samples.

关键词： laser-induced breakdown spectroscopy fiber laser quantitative analysis matrix effects geological samples

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Toward a rapid and convenient nanoplastic quantification method in laboratory-scale study based on fluorescence intensity

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Frontiers of Environmental Science & Engineering 2024年第5期18卷 117-126页

作者： Ruiqi Yan Sen Lin Qian Ding Lei Zhang Xia Yu Wentao Zhao Qian Sui State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process School of Resources and Environmental EngineeringEast China University of Science and TechnologyShanghai200237China State Key Laboratory of Pollution Control and Resource Reuse College of Environmental Science and EngineeringTongji UniversityShanghai200092China Shanghai Institute of Pollution Control and Ecological Security Shanghai200092China

The thorough investigation of nanoplastics(NPs)in aqueous environments requires efficient and expeditious quantitative analytical methods that are sensitive to environmentally relevant NP concentrations and convenient to *** analysis-based quantitative methods have been acknowledged as effective and rapid approaches for quantifying NP concentrations in laboratory-scale ***,we compared three commonly used optical response indicators,namely fluorescence intensity(FI),ultraviolet absorbance,and turbidity,to assess their performance in quantifying ***,orthogonal experiments were conducted to evaluate the influence of various water quality parameters on the preferred indicator-based quantification *** results revealed that FI exhibits the highest correlation coefficient(>0.99)with NP ***,the limit of quantification(LOQ)for various types of NPs is exceptionally low,ranging from 0.0089 to 0.0584 mg/L in ultrapure water,well below environmentally relevant *** variations in water quality parameters such as pH,salinity,suspended solids(SS),and humic acid,a robust relationship between detectable FI and NP concentration was ***,an increased matrix,especially SS in water samples,results in an enhanced LOQ for ***,the quantitative method remains applicable in real water bodies,especially in drinking water,with NP LOQ as low as 0.0157–0.0711 mg/*** exceeds the previously reported detectable concentration for 100 nm NPs at 40µg/mL using surface-enhanced Raman *** study confirms the potential of FI as a reliable indicator for the rapid quantification of NPs in aqueous environments,offering substantial advantages in terms of both convenience and cost-effectiveness.

关键词： Nanoplastic quantification Fluorescence intensity Drinking water Limit of quantification(LOQ) matrix effects

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Trace amounts of impurities in electrolytic manganese metal by sector field inductively coupled plasma mass spectrometry

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Journal of Central South University 2013年第12期20卷 3385-3390页

作者：聂西度梁逸曾唐有根谢华林 School of Chemistry and Chemical Engineering Central South University Department of Material and Chemical Engineering Hunan Institute of Technology College of Chemistry and Chemical Engineering Yangtze Normal University

An analytical method, using sector field inductively coupled plasma mass spectrometry （SF-ICP-MS） for rapid simultaneous determination of Be, Na, Mg, Si, Ca, Ti, V, Cr, Fe, Co, Ni, Cu, Zn, As, Sn, Sb, Pb and Bi in electrolytic manganese metal, was described. At the beginning, the samples were decomposed by HNO3 and H2504, and then analyzed by SF-ICP-MS. Most of the spectral interferences could be avoided by measuring in different mass resolution modes. The matrix effects due to the excess of sulfuric acid and Mn were evaluated. Correction of matrix effects was conducted by using the internal standard elements. The optimum condition for the determination was investigated and discussed. The detection limit is in the range of 0.001-0.169 gg/L. The current method is applied to the determination of trace impurities in electrolytic manganese metal. And experiments show that good results can be obtained much faster, more accurately and conveniently by current method.

关键词： sector field inductively coupled plasma mass spectrometry electrolytic manganese impurities spectral interferences matrix effects

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Chromatographic behavior of co-eluted plasma compounds and effect on screening of drugs by APCI-LC-MS(/MS):Applications to selected cardiovascular drugs

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Journal of Pharmaceutical Analysis 2014年第6期4卷 384-391页

作者： Yahya R.Tahboub Department of Chemical Sciences Faculty of Science and Arts Jordan University of Science and TechnologyIrbicl 22110 Jordan Department of Chemistry Faculty of Science Islamic University in Medina Medina Saudi Arabia

Chromatographic behavior of co-eluted compounds from un-extracted drug-free plasma samples was studied by LC-MS and LC-MS/MS with positive *** soft gradient,total ion chromatogram（TIC） consisted of two major peaks separated by a constant lower intensity *** peak（0.15-0.4 min） belongs to polar plasma compounds and consisted of smaller mass ions（m/z〈 250）;late peak（3.6-4.6 min） belongs to thermally unstable phospholipids and consisted of fragments with mlz〈*** peak is more sensitive to variations in chromatographic and MS *** of most targeted cardiovascular drugs at levels lower than 50 ng/mL has been possible by LC-MS for drugs with retention factors larger than *** effects and recovery,at 20 and 200 ng/mL,were evaluated for spiked plasma samples with 15 cardiovascular drugs,by MRM-LC-MS/*** recoveries were above 90%and matrix effects expressed as percent matrix factor（%MF） were above 100%,indicating enhancement character for *** uncertainties were significant for drugs with smaller masses（m/z〈 250） and retention factors lower than two.

关键词： Plasma APCI-LC-MS Cardiovascular drugs matrix effects Recovery

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