支持向量回归算法应用于分光光度法同时测定安替比林、巴比妥和氨基比林

采用均匀设计法制备不同含量配比的安替比林、巴比妥、氨基比林校正集样品,用化学计量学方法--支持向量回归(SVR)方法建立校正模型,并对安替比林、巴比妥和氨基比林的模拟样品及安痛定注射液样品进行测定.结果表明,三种成分的加标回收率均在98%～104%之间,测定结果的相对标准偏差为0.48%～1.24%.     

支持向量回归同时测定苯丙氨酸、酪氨酸和色氨酸的研究

在波长200~400 nm范围内,测定酪氨酸、色氨酸和苯丙氨酸混合体系的吸光度,用连续小波变换(CWT)对光谱数据进行预处理,再用支持向量回归(SVR)方法进行建模,建立了支持向量回归紫外分光光度法同时测定酪氨酸、色氨酸和苯丙氨酸的方法,用所建方法对模拟样品进行了测定。结果表明,酪氨酸、色氨酸和苯丙氨酸预测结果的回收率在98%~102%之间,测定结果准确。     

K系数－多波长最小—乘回归分光光度法同时测定三组分的研究

将双波长Ｋ系数分光光度法和多波长线性回归分光光度法相结合，并采用最小一乘法准则计算回归系数，提出了一种同时测定三组分的新方法，即Ｋ系数－多波长最小一乘回归分光光度法。该法不需要吸收曲线交点和等吸收点，且能较好地克服异常点的影响，得到比最小二乘法更好的回归稳健性。方法用于测定模拟混合色素样品和饮料样品中的柠檬黄、胭脂红、果绿，相对误差为—３．６％～２．８％，回收率为９６．３％～１０４．８％，变异系数小于２．７９％。     

支持向量回归同时测定维生素B混合物的研究

用支持向量回归方法(SVR)建立校正模型,并对维生素B1、B2和B6的模拟样品进行测定。结果表明,维生素B1、B2和B6预测结果的回收率在96%~104%之间,测定结果准确。     

离散小波变换-支持向量回归方法同时测定苯酚、苯胺和苯甲酸

在波长范围200～400nm测定苯酚、苯胺和苯甲酸混合液的吸收光谱,用离散小波变换（DWT）对光谱数据进行处理,再用支持向量回归SVR方法进行建模,建立了离散小波变换一支持向量回归方法（DWT—SVR）。方法用于模拟样品和污染水样中苯酚、苯胺和苯甲酸的同时测定,结果满意。     

支持向量回归-分光光度法对苯酚、苯胺和苯甲酸的同时测定

用支持向量回归(SVR)结合分光光度法对苯酚、苯胺、苯甲酸进行了同时测定.在230～300 nm的波长范围内,用SVR方法建立校正模型,用留一交叉验证的方法优化SVR方法建模,并对苯酚、苯胺、苯甲酸的模拟样品进行了测定.苯酚、苯胺、苯甲酸的预测结果的回收率在98.1%～101.1%之间.     

支持向量回归-铬天青 S 分光光度法同时测定 Fe3 和 Al3

在溴化十六烷基三甲胺(CTMAB)和丙酮存在的条件下,于波长500～750 nm范围内,测定Fe3 、 Al3 和铬天青S(CAS)显色体系的吸光度,用连续小波变换(CWT)对光谱数据进行预处理,再用支持向量回归(SVR)建模,建立了连续小波变换-支持向量回归方法(CWT-SVR).方法用于模拟水样中Fe3 和 Al3 的同时测定,结果满意.     

主成分分析-支持向量回归建模方法及应用研究

将主成分分析(PCA)用于近红外光谱的特征提取,并与支持向量回归(SVR)相结合,实现了主成分分析-支持向量回归(PCA-SVR)用于近红外光谱定量分析的建模方法。与单纯的SVR方法相比,不仅提高了运算速度,而且提高了模型的预测准确度。将PCA-SVR方法用于烟草样品中总糖和总挥发碱含量的测定,所得结果的预测均方根误差分别为1.323和0.0477;回收率分别为91.8%~112.6%和88.9%~120.2%。     

支持向量回归—铬天青S分光光度法同时测定Fe~(3+)和Al~(3+)

在溴化十六烷基三甲胺(CTMAB)和丙酮存在的条件下,于波长500~750 nm范围内,测定Fe3 、Al3 和铬天青S(CAS)显色体系的吸光度,用连续小波变换(CWT)对光谱数据进行预处理,再用支持向量回归(SVR)建模,建立了连续小波变换-支持向量回归方法(CWT-SVR)。方法用于模拟水样中Fe3 和Al3 的同时测定,结果满意。     

支持向量机回归法在近红外光谱测定植物纤维原料中甲氧基含量中的应用

以26个植物纤维原料为实验材料,由20个样品作校正样品,采用径向基核函数方法对纤维原料中甲氧基含量与纤维原料样品近红外光谱进行支持向量机(SVM)回归建模.以所建SVM回归模型对6个纤维原料样品中甲氧基含量进行预测,回归模型的预测结果与采用改良的维伯克法确定的甲氧基含量的相关系数为0.977,预测样本集的标准偏差为0.43.将SVM回归模型的预测效果与PLS回归模型的预测结果进行比较,所建近红外光谱测定植物纤维原料中甲氧基含量的SVM回归模型可用于实际植物纤维原料样品的定量分析,且具有较好的分析效果.     

Synthesis of Fluorescent Carbon Quantum Dots from Dried Lemon Peel for Determination of Carmine in Drinks

Carbon quantum dots(CQDs) with a quantum yield of 11% were synthesized via a simple, low-cost and green hydrothermal treatment using dried lemon peel as carbon source. The obtained CQDs showed a strong emission at the wavelength of 505 nm with an optimum excitation of 425 nm. Carmine with maximum absorption wavelength at 508 nm could selectively quench the fluorescence of CQDs. Based on this principle, a fluorescence probe was developed for carmine determination. The quenching mechanism of CQDs was elucidated. A linear relationship was found in the carmine concentration range of 0.20—30.00 mg/L with the detection limit(3σ/k) of 0.16 mg/L. Satisfactory results were achieved when the method was applied for the determination of carmine in soft drinks.     

Carmine and Fast Green as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid Solution

The inhibition action of carmine and fast green dyes on corrosion of mild steel in 0.5 M HCl was investigated using mass loss, polarization and electrochemical impedance (EIS) methods at 300 K. The inhibition efficiency was found to increase with increasing concentration of the inhibitors. The inhibition efficiency of fast green (%η - 98) is higher than that of carmine (%η - 92) and found to be maximum in 1 × 10^-3 M solution. The inhibitors act as mixed type with predominant cathodic effect. The inhibitors were adsorbed on the mild steel surface according to the Temkin adsorption isotherm. The surface morphology of the mild steel specimens was evaluated using SEM images.     

The Biodegradation of Indigo Carmine by Bacillus safensis HL3 Spore and Toxicity Analysis of the Degradation Products

The aims of this article were to investigate Bacillus safensis HL3 spore for its capacity to degrade and detoxify indigo carmine and to provide an effective biological agent for the treatment of isatin dye wastewater. Bacillus safensis HL3 spore was found to decolorize indigo carmine by 97% in the presence of acetosyringone within 2 h. Significantly increased activities of spore laccase, intracellular tyrosinase, and lignin peroxidase upon exposure to indigo carmine were observed. The results of RT–qPCR also showed that the expression of laccase gene was significantly increased. The spore has the ability to degrade indigo carmine through oxidization. Furthermore, the pathway by which indigo carmine is degraded was investigated using liquid chromatography–mass spectrometry analysis to identify the biodegradation products. A detailed pathway of indigo carmine degradation by bacterial spores was proposed for the first time. Toxicity tests indicated that the biodegradation products of indigo carmine are non-toxic to Nicotiana tabacum seeds and are less hazardous to human erythrocytes than the original dye. Indigo carmine is a typical recalcitrant dye and severely jeopardizes human health. The results demonstrate the utility of the spore from Bacillus safensis HL3 for the degradation of indigo carmine and simultaneous reduction of its toxicity.     

Green chemistry approach for the synthesis of PbSnO<Subscript>3</Subscript>

We report synthesis of light-induced heterogeneous photocatalyst PbSnO₃ by green chemistry approach, using mechanochemical method. The synthesized catalyst was characterized physically by various analytical investigative techniques like UV-DRS, FTIR, XRD, SEM, EDAX, TEM, and TG. The product corresponded to average particle size of 100 nm by TEM images. Photocatalytic activity of PbSnO₃ was studied by photodegradation of Methyl blue, Indigo carmine, and Acid violet dyes under sunlight. The results indicate that the sunlight stimulates a photochemical reaction and successfully complete mineralization of Methyl blue, Indigo carmine, and Acid violet dyes. Antimicrobial activity shows that PbSnO₃ photocatalyst was found non-toxic to the environment.     

Sustainable Approaches Using Green Technologies for Apple By-Product Valorisation as A New Perspective into the History of the Apple

The apple has been recognised as the most culturally important fruit crop in temperate land areas. Centuries of human exploitation and development led to the production of thousands of apple cultivars. Nowadays, the apple represents the third most widely cultivated fruit in the world. About 30% of the total production of apples is processed, being juice and cider the main resulting products. Regarding this procedure, a large quantity of apple by-product is generated, which tends to be undervalued, and commonly remains underutilised, landfilled, or incinerated. However, apple by-product is a proven source of bioactive compounds, namely dietary fibre, fatty acids, triterpenes, or polyphenols. Therefore, the application of green technologies should be considered in order to improve the functionality of apple by-product while promoting its use as the raw material of a novel product line. The present work provides a holistic view of the apple’s historical evolution, characterises apple by-product, and reviews the application of green technologies for improving its functionality. These sustainable procedures can enable the transformation of this perishable material into a novel ingredient opening up new prospects for the apple’s potential use and consumption.     

Determination of pesticide residues in nonfatty foods by supercritical fluid extraction and gas chromatography/mass spectrometry: collaborative study

A collaborative study was conducted to determine multiple pesticide residues in apple, green bean, and carrot by using supercritical fluid extraction (SFE) and gas chromatography/mass spectrometry (GC/MS). Seventeen laboratories from 7 countries participated in the final study, and a variety of different instruments was used by collaborators. The procedure simply entails 3 steps: (1) mix 1.1 g drying agent (Hydromatrix) per 1 g frozen precomminuted sample, and load 4-5.5 g of this mixture into a 7-10 mL extraction vessel; (2) perform SFE for 20-30 min with a 1-2 mL/min flow rate of carbon dioxide at 0.85 g/mL density (320 atm, 60 degrees C); and (3) inject the extract, which was collected on a solid-phase or in a liquid trap, into the gas chromatograph/mass spectrometer, using either an ion-trap instrument in full-scan mode or a quadrupole-type instrument in selected-ion monitoring mode. The ability of GC/MS to simultaneously quantitate and confirm the identity of the semivolatile analytes at trace concentrations is a strong feature of the approach. The selectivity of SFE and GC/MS avoids the need for post-extraction cleanup steps, and the conversion of the CO2 solvent to a gas after SFE eliminates the solvent evaporation step common in traditional methods. The approach has several advantages, but its main drawback is the lower recoveries for the most polar analytes, such as methamidophos and acephate, and the most nonpolar analytes, such as pyrethroids. Recoveries for most pesticides are >75%, and recoveries of nonpolar analytes are still >50%. The (within-laboratory) repeatability relative standard deviation (RSDr) values of the recoveries are generally <15%. More specifically, the average results from the 9-14 laboratories in the final analysis of 6 blind duplicates at 3 concentrations for each pesticide are as follows: carbofuran in apple (75-500 ng/g), 89% recovery, 7% RSDr, 9% reproducibility relative standard deviation (RSDR); diazinon in apple (60-400 ng/g), 83% recovery, 13% RSDr, 17% RSDR; vinclozolin in apple (6-400 ng/g), 97% recovery, 13% RSDr, 18% RSDR; chlorpyrifos in apple (50-300 ng/g), 105% recovery, 11% RSDr, 13% RSDR; endosulfan sulfate in apple (150-1000 ng/g), 95% recovery, 15% RSDr, 17% RSDR; trifluralin in green bean (30-200 ng/g), 58% recovery, 11% RSDr, 27% RSDR; dacthal in green bean (60-400 ng/g), 88% recovery, 11% RSDr, 17% RSDR; quintozene in green bean (60-400 ng/g), 79% recovery, 13% RSDr, 18% RSDR; chlorpyrifos in green bean (50-300 ng/g), 84% recovery, 11% RSDr, 17% RSDR; p,p'-DDE in green bean (45-300 ng/g), 64% recovery, 14% RSDr, 27% RSDR; atrazine in carrot (75-500 ng/g), 90% recovery, 11% RSDr, 15% RSDR; metalaxyl in carrot (75-500 ng/g), 89% recovery, 8% RSDr, 12% RSDR; parathion-methyl in carrot (75-500 ng/g), 84% recovery, 14% RSDr, 15% RSDR; chlorpyrifos in carrot (50-300 ng/g), 77% recovery, 13% RSDr, 19% RSDR; and bifenthrin in carrot (90-600 ng/g), 63% recovery, 12% RSDr, and 25% RSDR. All analytes except for the nonpolar compounds trifluralin, p,p'-DDE, and bifenthrin gave average Horwitz ratios of <1.0 when AOAC criteria were used. These 3 analytes had high RSDr values but lower RSDR values, which indicated that certain SFE instruments gave consistently lower recoveries for nonpolar compounds. The collaborative study results demonstrate that the method meets the purpose of many monitoring programs for pesticide residue analysis, and the Study Director recommends that it be adopted Official First Action.     

高效液相色谱法同时测定功能饮料中烟酰胺、咖啡因、维生素B_6、柠檬黄、胭脂红和苯甲酸的含量

建立了一种同时快速检测功能饮料中烟酰胺、咖啡因、维生素B_6、柠檬黄、胭脂红和苯甲酸6种食品添加剂的高效液相色谱方法。6种食品添加剂的检出限分别为烟酰胺0.1 mg/L,咖啡因0.1 mg/L,维生素B6 0.2 mg/L,柠檬黄0.2 mg/L,胭脂红0.1 mg/L,苯甲酸0.1 mg/L,测定结果的相对标准偏差不大于4.57%(n=6),加标回收率在95.80%~113.68%之间。该方法满足GB/T 5009.197–2003,GB/T 23495–2009和SN/T 2105–2008对于上述6种食品添加剂检出限的要求。     

Catalytic Oxidation of Indigo Carmine in the Presence of Silver Nanoparticles: Application to Groundwater Analysis

The oxidation of indigo carmine by potassium hexacyanoferrate(III) is catalyzed by trace of silver nanoparticle (AgNP). The reaction is followed UV‐Vis absorption spectrophotometrically by measuring the change in the absorption spectra (λ_max 612 nm). The catalytic oxidation reaction is used for the quantification of indigo carmine. The calibration graph was linear in the concentration range 50 nM—1.8 μM of indigo carmine. The variables affecting the method have been optimized. The method is applied to the determination of indigo carmine in groundwater samples with the satisfactory results.     

流动注射催化动力学光度法测定碘离子

Based on catalysis of I- on the decolor reaction between potassium bromate and indigo carmine in the acid medium,and combined with flow injection analysis,a new flow-injection catalytic kinetic spectrophotometric method was found for determination of iodide in sample.The experimental results show that the determination is carried out at temperature of 80℃ and the concentration of H_2SO_4,KBrO_3,and indigo carmine is 1.2 mol/L,1.8×10~(-2) mol/L and 1.0×10~(-4) mol/L respectively,the linear range for the method is 0.50～1.8 mg/L.The detection limit is 0.0022 mg/L.The relative standard deviation is 1.92%.The proposed method was applied to the determination of iodide in troche successfully.The recovery was between 99.2% and 103.6%.     

Indigo Carmine in a Food Dye: Spectroscopic Characterization and Determining Its Micro-Concentration through the Clock Reaction

Indigo carmine is a commonly used industrial blue dye. To determine its concentration in a commercially available food dye composed of a mixture of indigo carmine and D-glucose, this paper characterizes it through (ATR, KBr) FTIR micro-Raman as well as UV/Vis and clock: Briggs–Rauscher (BR) oscillatory reaction methods. The indigo carmine was detected in the bulk food dye only by applying micro-Raman spectroscopy, indicating a low percentage of the indigo carmine present. This research provides an improvement in the deviations from the experimental Raman spectrum as calculated by the B97D/cc-pVTZ level of theory one, resulting in a better geometrical optimization of the indigo carmine molecule compared to data within the literature. The analytical curves used to determine indigo carmine concentrations (and quantities) in an aqueous solution of food dye were applied by means of UV/Vis and BR methods. BR yielded significantly better analytical parameters: 100 times lower LOD and LOQ compared to commonly used UV/Vis. The remarkable sensitivity of the BR reaction towards indigo carmine suggests that not only does indigo carmine react in an oscillatory reaction but also its decomposition products, meaning that the multiple oxidation reactions have an important role in the BR’s indigo carmine mechanism. The novelty of this research is the investigation of indigo carmine using a clock BR reaction, opening new possibilities to determine indigo carmine in other complex samples (pharmaceutical, food, etc.).