Journal of Analytical Methods in Chemistry最新文献

{"title":"Nondestructive Detection of Moisture Content in Palm Oil by Using Portable Vibrational Spectroscopy and Optimal Prediction Algorithms.","authors":"Ernest Teye,&nbsp;Charles L Y Amuah,&nbsp;Tai-Sheng Yeh,&nbsp;Regina Nyorkeh","doi":"10.1155/2023/3364720","DOIUrl":"https://doi.org/10.1155/2023/3364720","url":null,"abstract":"<p><p>Rapid and nondestructive measurement of moisture content in crude palm oil is essential for promoting the shelf-stability and quality. In this research, micro NIR spectrometer coupled with a multivariate calibration model was used to collect and analyse fingerprinted information from palm oil samples at different moisture contents. Several preprocessing methods such as standard normal variant (SNV), multiplicative scatter correction (MSC), Savitzky-Golay first derivative (SGD1), Savitzky-Golay second derivative (SGD2) together with partial least square (PLS) regression techniques, full PLS, interval PLS (iPLS), synergy interval PLS (SiPLS), genetic algorithm PLS (GAPLS), and successive projection algorithm PLS (SPA-PLS) were comparatively employed to construct an optimum quantitative prediction model for moisture content in crude palm oil. The models were evaluated according to the coefficient of determination and root mean square error in calibration (Rc and RMSEC) and prediction (Rp and RMSEC) set, respectively. The model SGD1 + SiPLS was the optimal novel algorithm obtained among the others with the performance of Rc = 0.968 and RMSEC = 0.468 in the calibration set and Rp = 0.956 and RMSEP = 0.361 in the prediction set. The results showed that rapid and nondestructive determination of moisture content in palm oil is feasible and this would go a long way to facilitating quality control of crude palm oil.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"3364720"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9904916/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10693274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemometric Methods for Simultaneous Determination of Candesartan Cilexetil and Hydrochlorothiazide in Binary Combinations.","authors":"Diyar Salahuddin Ali","doi":"10.1155/2023/5107317","DOIUrl":"https://doi.org/10.1155/2023/5107317","url":null,"abstract":"<p><p>Simple, accurate, precise, and cost-effective chemometric techniques for the measurement of candesartan cilexetil and hydrochlorothiazide in synthetic mixtures were improved and validated. <i>H</i>-point standard addition, <i>Q</i>-absorption ratio, and correction absorbance spectrophotometric techniques were utilized for the simultaneous determination of both medicines in real pharmaceutical formulations. A new calibration approach was implemented based on chemical <i>H</i>-point standards. This approach was developed to resolve significantly overlapping spectra of two analytes and provide direct correction of both proportional and constant errors caused by the matrix of the sample. The first method of simultaneous determination of candesartan cilexetil and hydrochlorothiazide was carried out using the <i>H</i>-point standard addition method at wavelengths 239 and 283. For the ratio of the absorption at two selected wavelengths, one of which is the isoabsorptive point and the other being the maximum of one of the two components, the second method absorption ratio method was utilized. In distilled water, the isoabsorptive point of candesartan cilexetil and hydrochlorothiazide occurs at 258 nm. <i>λ</i> _max of hydrochlorothiazide is 273 nm, which is the second wavelength used. Lastly, the absorbance correction method was implemented. This approach is based on absorbance correction equations and uses distilled water as the solvent for the examination of both medicines. In NaOH/EtOH solvent, the absorbance maxima of candesartan cilexetil and hydrochlorothiazide are 250 nm and 340 nm, respectively. For both wavelengths, candesartan cilexetil and hydrochlorothiazide exhibited linearity over a concentration range of 1-46 <i>μ</i>g/ml and 1-44 <i>μ</i>g/ml, respectively, for <i>H</i>-point standard addition. The <i>Q</i>-absorption ratio approach provides linearity over the concentration ranges of 1-46 <i>μ</i>g/ml at 273 nm for candesartan cilexetil and 1-29 <i>μ</i>g/ml for hydrochlorothiazide, 1-46 <i>μ</i>g/ml at 258 nm for candesartan cilexetil, and 1-44 <i>μ</i>g/ml for hydrochlorothiazide. For hydrochlorothiazide, the linearity for the correction absorbance method was obtained throughout a concentration range of 1-46 <i>μ</i>g/ml at wavelengths 250 and 340 nm and 1-44 <i>μ</i>g/ml at wavelength 250 nm. The results of the analysis have been statistically and empirically supported by recovery studies. All methods yielded recoveries in the range of 96 -102% for both medications. The LOD ranged from 0.46 -0.94 <i>μ</i>g/mL for hydrochlorothiazide and from 1.26 -2.40 <i>μ</i>g/mL for candesartan cilexetil. The approaches were then used to quantify candesartan cilexetil and hydrochlorothiazide in pharmaceutical tablets.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"5107317"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9873432/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10680944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preconcentration of Pb(II) by Magnetic Metal-Organic Frameworks and Analysis Using Graphite Furnace Atomic Absorption Spectroscopy.","authors":"Arman Sharifi,&nbsp;Rahman Hallaj,&nbsp;Soleiman Bahar","doi":"10.1155/2023/5424221","DOIUrl":"https://doi.org/10.1155/2023/5424221","url":null,"abstract":"<p><p>In this study, a magnetic metal-organic framework (MOF) was synthesized based on magnetic Fe₃O₄, Cu(II), and benzene-1,3,5-tricarboxylic acid (Cu-BTC) as a sorbent for solid phase extraction (SPE) of trace amounts of Pb(II) in water and lettuce samples. Pb(II) ion was adsorbed on the magnetic MOF and easily separated by a magnet; therefore, no filtration or centrifugation was necessary. The analyte ions were eluted by HCl 0.5 mol·L^-1 and analyzed via graphite furnace atomic absorption spectroscopy. The prepared sorbent was characterized by scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and Fourier transform-infrared (FT-IR) spectroscopy. Under optimal experimental conditions, the method had a linear range of 0.1-50 <i>μ</i>g·L^-1. The limits of detection and quantitation for lead were found to be 0.026 and 0.08 <i>μ</i>g·L^-1, respectively. The results showed that the prepared sorbent has high selectivity for Pb²⁺ even in the presence of other interfering metal ions.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"5424221"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9873434/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10680946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A New Method for Ivermectin Detection and Quantification through HPLC in Organic Matter (Feed, Soil, and Water).","authors":"Alicia Maria Carrillo Heredero,&nbsp;Giulia Segato,&nbsp;Simonetta Menotta,&nbsp;Elena Faggionato,&nbsp;Alice Vismarra,&nbsp;Marco Genchi,&nbsp;Simone Bertini","doi":"10.1155/2023/6924263","DOIUrl":"https://doi.org/10.1155/2023/6924263","url":null,"abstract":"<p><p>Ivermectin is a macrocyclic lactone widely used in veterinary medicine for its broad-spectrum antiparasitic properties. It has been proven to be effective and safe. The purpose of this study was to develop a high-performance liquid chromatography method with a diode array detector for ivermectin screening in feed and water for animal consumption. Furthermore, the objective was to quantify ivermectin levels that were higher than 0.5 mg/kg in solid matrixes and 0.1 mg/kg in water. Doramectin was used as process standard. Samples were extracted using solid phase extraction with silica and C-18 columns. The method involved the use of high-performance liquid chromatography (HPLC) with a diode array detector (DAD). The results were interpreted using a calibration curve built with ivermectin standards at multiple concentrations (0.5, 1, 2, 5, and 12.5 mg/kg). Statistical evaluation of data was done using ANOVA. The data analysis showed that the linear regression was highly significant (<i>P</i> < 0.001), the intercept values were not significantly different from zero, and the correlation coefficient values (>0.999) indicated excellent linearity. Further tests demonstrated that this method is also useful when studying soil matrixes. The soil was dried and analyzed in the same way as feed; the same recoveries were realized on the spiked samples. The method is easy, inexpensive, precise, and repeatable; it requires very small amounts of sample.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"6924263"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9995184/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9103209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A LC-MS/MS Method for Quantifying the Schisandrin B and Exploring Its Intracellular Exposure Correlating Antitumor Effect.","authors":"Bosu Meng,&nbsp;Shouhong Gao,&nbsp;Jihui Chen,&nbsp;Bin Wang,&nbsp;Yuhui Mu,&nbsp;Yan Liu,&nbsp;Zhipeng Wang,&nbsp;Wansheng Chen","doi":"10.1155/2023/8898426","DOIUrl":"https://doi.org/10.1155/2023/8898426","url":null,"abstract":"<p><p>Schisandrin B (Sch.B) shows antineoplastic activity in colorectal cancer, but the mechanism is still obscure. The intracellular spatial distribution may be helpful in elucidating the mechanism. To investigate the intracellular drug distribution of Sch.B in cancer cells, a simple, rapid, and sensitive ultra-highperformance liquid chromatography tandem mass spectrometry (UHPLC-MS/MS) method was established for the determination of Sch.B in colorectal cancer cells. Warfarin was utilized as an internal standard. The sample pretreatment was carried out with protein precipitation using methanol. The analyte was separated on an Atlantis T3-C₁₈ column (3 <i>μ</i>m, 2.1<i>∗</i>100 mm) using gradient elution with a mobile phase comprised of methanol and 0.2% formic acid in water. The flow rate was 0.4 mL/min. The linear range of Sch.B was 20.0-1000.0 ng/mL with a correlation coefficient (<i>R</i>) more than 0.99. The matrix effect and recovery ranged from 88.01% to 94.59% and from 85.25% to 91.71%; the interday and intraday precision and accuracy, stability, specificity, carryover, matrix effect, and recovery all conformed to the requirements of pharmacopoeia. Cell viability and apoptosis assays demonstrated that Sch.B has an inhibitory effect in a dose-dependent way on HCT116 proliferation and achieved significant suppression at 75 <i>μ</i>M (IC₅₀). It was found that in HCT116 cell, nucleus, and mitochondria, exposure levels of Sch.B peaked at 36 h and then decreased, and mitochondria possessed more Sch.B than nucleus. These results may help to elucidate the antitumor effect of Sch.B.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"8898426"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10264713/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9657826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An Environmentally Friendly Compact Microfluidic Hydrodynamic Sequential Injection System Using <i>Curcuma putii</i> Maknoi & Jenjitt. Extract as a Natural Reagent for Colorimetric Determination of Total Iron in Water Samples.","authors":"Maneerat Namjan,&nbsp;Natcha Kaewwonglom,&nbsp;Chonlada Dechakiatkrai Theerakarunwong,&nbsp;Jaroon Jakmunee,&nbsp;Wanpen Khongpet","doi":"10.1155/2023/3400863","DOIUrl":"https://doi.org/10.1155/2023/3400863","url":null,"abstract":"<p><p>The miniaturization of analytical systems and the utilization of nontoxic natural extract from plants play significant roles for green analytical chemistry methodology. In this work, the microfluidic hydrodynamic sequential injection (HSI) with the LED-phototransistor colorimetric detection system has been proposed to create an ecofriendly and low-cost miniaturized analytical system for online determination of iron in water samples using <i>Curcuma putii</i> Maknoi & Jenjitt. extracts as high stability and good selectivity of a natural reagent. The proposed method was designed for online solution mixing and colorimetric detection on a microfluidic platform. The <i>Curcuma putii</i> Maknoi & Jenjitt. extracts and standard/samples were sequentially aspirated to fill the channel before entering the built-in flow cell. The intensity of iron-<i>Curcuma putii</i> Maknoi & Jenjitt. extract complex was monitored under the optimum conditions of flow rate, sample volume, mixing zone length, and aspiration sequences, by altering the gain control of the colorimetric detector to achieve good sensitivity. The results demonstrated a good performance of the green analytical systems. A linear calibration graph in the range of 0.5-6.0 mg L^-1 was obtained with a limit of detection at an adequate level of 0.11 mg L^-1 for water samples with a sample throughput of 30 h^-1. The precise and accurate measurement results were achieved with relative standard deviations in the range of 1.61-1.72%, and percent recoveries were found in the range of 90.6-113.4. The proposed method offers cost-effective, easy operation over an appropriate analysis time (2 min/injection) with good sensitivity and is environmentally friendly with low consumption of solutions and the use of high stability and good selectivity of nontoxic reagents. The achieved method was demonstrated to be a good choice for routine analysis.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"3400863"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9859699/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10580638","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Novel Strategy for Screening Active Components in <i>Cistanche tubulosa</i> Based on Spectrum-Effect Relationship Analysis and Network Pharmacology.","authors":"Xiao-Tong Liu,&nbsp;Dong-Mei Sun,&nbsp;Wen-Xin Yu,&nbsp;Wei-Xiong Lin,&nbsp;Liao-Yuan Liu,&nbsp;Yu Zeng","doi":"10.1155/2023/9030015","DOIUrl":"https://doi.org/10.1155/2023/9030015","url":null,"abstract":"<p><p><i>Cistanche tubulosa</i> (Schenk) R. Wight is a valuable herbal medicine in China. The study aimed to explore the potential mechanisms of <i>C. tubulosa</i> on antioxidant activity using spectrum-effect relationship and network pharmacology and the possibilities of utilizing herbal dregs. In this work, different extracts of <i>C. tubulosa</i>, including herbal materials, water extracts, and herbal residues, were evaluated using high-performance liquid chromatography (HPLC) technology. In addition, the antioxidant activities were estimated <i>in vitro</i>, including 2, 2-diphenyl-1-picrylhydrazyl; superoxide anion; and hydroxyl radical scavenging assays. The spectrum-effect relationships between the HPLC fingerprints and the biological capabilities were analyzed via partial least squares regression, bivariate correlation analysis, and redundancy analysis. Furthermore, network pharmacology was used to predict potential mechanisms of <i>C. tubulosa</i> in the treatment of antioxidant-related diseases. According to the results, eleven common peaks were shared by different extracts. Geniposidic acid, echinacoside, verbascoside, tubuloside A, and isoacteoside were quantified and compared among different forms of <i>C. tubulosa</i>. The spectrum-effect relationship study indicated that peak <i>A</i> ₆ might be the most decisive component among the three forms. Based on network pharmacology, there were 159 target genes shared by active components and antioxidant-related diseases. Targets related to antioxidant activity and relevant pathways were discussed. Our results provide a theoretical basis for recycling the herbal residues and the potential mechanisms of <i>C. tubulosa</i> in the treatment of antioxidant-related diseases.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"9030015"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9904937/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10684895","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spectrum-Effect Relationship between HPLC Fingerprint and Anti-Inflammatory and Analgesic Activities of <i>Chloranthus fortunei</i> (A. Gray) Solms-Laub.","authors":"Junhao Shi,&nbsp;Qin Qiu,&nbsp;Xianxing Lu,&nbsp;Dandan Zhen,&nbsp;Xiaofang Liu,&nbsp;Baojun Gu,&nbsp;Chunping Qin,&nbsp;Huiqing Mo,&nbsp;Pengfei Li,&nbsp;Hanshen Zhen","doi":"10.1155/2023/5697896","DOIUrl":"https://doi.org/10.1155/2023/5697896","url":null,"abstract":"<p><p>The predominant objective of the research is to establish the anti-inflammatory and analgesic spectrum-effect relationship of <i>Chloranthus fortunei</i> (A. Gray) Solms-Laub (CF), to reveal the pharmacodynamic basis of the anti-inflammatory and analgesic effects of CF. The fingerprints of ten batches of CF from various origins were established by high-performance liquid chromatography (HPLC) and evaluated for similarity, hierarchical cluster analysis (HCA), and principal component analysis (PCA). The anti-inflammatory and analgesic effects of CF were evaluated with the xylene-induced ear swelling in mice and the acetic acid torsion test, while the anti-inflammatory and analgesic spectrum-effect relationship of CF was evaluated by gray relational analysis (GRA) and partial least squares regression analysis (PLSR) to effectively elucidate the anti-inflammatory and analgesic substance basis of CF. The ten batches of CF HPLC fingerprints established in this work successfully identified a total of 13 common peaks that refer to 4 components, with peak 1 being neochlorogenic acid, peak 3 being chlorogenic acid, peak 5 being cryptochlorogenic acid, and peak 10 being rosmarinic acid. The HCA results presented that the ten batches of CF samples were clustered into 3 categories, which was consistent with the PCA results. Simultaneously, the results of the spectrum-effect relationship also indicated that neochlorogenic acid, chlorogenic acid, cryptochlorogenic acid, and rosmarinic acid were the possible anti-inflammatory and analgesic substances of CF. In order to better understand the anti-inflammatory and analgesic substance basis of CF, this experiment established the anti-inflammatory and analgesic spectrum-effect relationship of CF, which can provide a scientific foundation for the quality evaluation and further research as well as the usage of CF herbs.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"5697896"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10335875/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9872404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of the Imaged cIEF Method for Monitoring the Charge Heterogeneity of Antibody-Maytansine Conjugate.","authors":"Ayat Abbood","doi":"10.1155/2023/8150143","DOIUrl":"https://doi.org/10.1155/2023/8150143","url":null,"abstract":"<p><p>The aim of this study was to develop a whole-column imaging-detection capillary isoelectric focusing (icIEF) method for the analytical characterization of charge heterogeneity of a novel humanized anti-EphA2 antibody conjugated to a maytansine derivative. In addition to focusing time, sample composition was optimized: pH range, percent of carrier ampholytes, conjugated antibody concentration, and urea concentration. A good separation of charge isoforms was obtained with 4% carrier ampholytes of a large (3-10) and narrow pH range (8-10.5) (1 : 1 ratio), conjugated antibody concentration (0.3-1 mg/ml) with a good linearity (<i>R</i>²: 0.9905), 2 M of urea concentration, and 12 minute for focusing. The optimized icIEF method demonstrated a good interday repeatability with RSD values: <1% (pI), <8% (% peak area), and 7% (total peak areas). The optimized icIEF was useful as an analytical characterization tool to assess the charged isoform profile of a discovery batch of the studied maytansinoid-antibody conjugate in comparison to its naked antibody. It exhibited a large pI range (7.5-9.0), while its naked antibody showed a narrow pI range (8.9-9.0). In the discovery batch of maytansinoid-antibody conjugate, 2% of charge isoforms had the same pI as the pI of naked antibody isoforms.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"8150143"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10256444/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9618149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discrimination of Free-Range and Caged Eggs by Chemometrics Analysis of the Elemental Profiles of Eggshell.","authors":"Shunping Xie,&nbsp;Chengying Hai,&nbsp;Song He,&nbsp;Huanhuan Lu,&nbsp;Lu Xu,&nbsp;Haiyan Fu","doi":"10.1155/2023/1271409","DOIUrl":"https://doi.org/10.1155/2023/1271409","url":null,"abstract":"As one of the foods commonly eaten all over the world, eggs have attracted more and more attention for their quality and price. A method based on elemental profiles and chemometrics to discriminate between free-range and caged eggs was established. Free-range (n1 = 127) and caged (n2 = 122) eggs were collected from different producing areas in China. The content of 16 elements (Zn, Pb, Cd, Co, Ni, Fe, Mn, Cr, Mg, Cu, Se, Ca, Al, Sr, Na, and K) in the eggshell was determined using a inductively coupled plasma atomic emission spectrometer (ICP-AES). Outlier diagnosis is performed by robust Stahel–Donoho estimation (SDE) and the Kennard and Stone (K-S) algorithm for training and test set partitioning. Partial least squares discriminant analysis (PLS-DA) and least squares support vector machine (LS-SVM) were used for classification of the two types of eggs. As a result, Cd, Mn, Mg, Se, and K make an important contribution to the classification of free-range and caged eggs. By combining column-wise and row-wise rescaling of the elemental data, the sensitivity, specificity, and accuracy were 91.9%, 91.1%, and 92.7% for PLS-DA, while the results of LS-SVM were 95.3%, 95.6%, and 95.1%, respectively. The result indicates that chemometrics analysis of the elemental profiles of eggshells could provide a useful and effective method to discriminate between free-range and caged eggs.","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"1271409"},"PeriodicalIF":2.6,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9991470/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9087515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}