利用非糖物质快速鉴别单花蜂蜜

本文利用非糖物质快速鉴别四种常见的单花蜂蜜(枸杞蜂蜜、荆条蜂蜜、枣花蜂蜜和洋槐蜂蜜)。利用固相萃取除糖提取蜂蜜非糖物质,并用高效液相色谱(HPLC)结合化学计量学进行蜂蜜花源的判定。发现了四种单花蜂蜜的非糖特征标志物。芦丁、丁香酸甲酯、阿魏酸的含量在四种蜂蜜中差异最大。对羟基苯甲酸和脱落酸在枸杞蜂蜜中平均含量分别为0.59μg/g和0.42μg/g,可作为枸杞蜂蜜的花源标志物;对香豆酸和肉桂酸在荆条蜂蜜中平均含量为0.08μg/g和0.05μg/g,可作为荆条蜂蜜的潜在花源标志物;阿魏酸、异阿魏酸是枣花蜂蜜的特征标志物,平均含量分别为0.40μg/g和0.76μg/g;洋槐蜂蜜的特征标志物是芦丁和丁香酸甲酯,平均含量为0.08μg/g和0.14μg/g。利用高效液相色谱指纹图谱结合化学计量学方法(主成分分析和判别分析),四种单花蜂蜜依据其花源被成功区分。本研究对蜂蜜真实性判定有重要参考价值,为后续蜂蜜真伪鉴别奠定基础。     

Discrimination the geographical origin of Yanchi Tan Lamb with different muscle sections by stable isotopic ratios and elemental profiles

In the study, lamb, feed and soil samples were collected from three regions of China in the year 2017 and 2018. The δ¹³C and δ¹⁵N values in lamb (defatted dry mass and lipids) and grass and the contents of nine elements in lamb, grass and soil were determined. The results indicated that except for Fe, Zn and Rb, most variables of lamb showed significant differences among two or three regions, and the contents of Fe, Sr and Cs showed significant differences between two years, and the contents of Cu and Zn showed significant differences among different muscle sections. Besides, significant correlations were found for δ¹³C between defatted lamb and lipid (r² = 0.973, P < 0.05) and for the element contents between lamb and soil. Finally, four key variables δ¹³C, δ¹⁵N, Sr and Mo were selected through stepwise canonical discriminant analysis with the cross-validation correct classification rate of 99.1%.     

Monitoring of the manufacturing process for ambroxol hydrochloride tablet using NIR-chemometric methods: compression effect on content uniformity model and relevant process parameters testing

This study aimed at using near-infrared (NIR) spectroscopy to monitor compaction pressure for simultaneously determining the tensile strength and content uniformity, as well as moisture and mean particle size of ambroxol hydrochloride tablets. The content uniformity, compression force and tensile strength of the laboratory samples were obtained by pressing a mixture of active principle and excipient components into tablets. To reduce the spectral baseline shift of the laboratory samples, the compaction pressure applied to the mixture was assessed by a variable pressure test. Production samples were added to the test and subjected to principal component analysis. The expanded partial least-squares (PLS) calibration model used to quantify the active content was more accurate than the model constructed from laboratory samples using the production tablets included in the calibration set. The model showed good predictability, with correlation coefficient (R) 0.9977. The validation and reliability of the content model were evaluated to determine trueness and reliability for the measurement of individual production tablets and the laboratory tablets with drug content ranging from 24 to 36?mg. The PLS calibration models for compression force and tensile strength were constructed using the same spectral set assuming both were highly related. These models yielded high R values (0.9955 and 0.9910). The R values of the moisture and mean particle size were 0.9994 and 0.9919, respectively. This study demonstrated that NIR spectroscopy combined with chemometric techniques can be successfully used to quantitatively monitor the tablet manufacturing process in the pharmaceutical industry.     

化学计量学-荧光分析法同时测定甲酚的3种同分异构体

利用化学计量学中的主成分回归法(PCR)和荧光分析法相结合,并用遗传算法(GA)对其进行优化,建立了同时测定甲酚混合物中3种同分异构体的新方法。在p H 4.92的磷酸氢二钠-磷酸二氢钾缓冲介质中,邻、间、对甲酚浓度在3.00~12.0μg/m L范围内,以λ=274 nm为定激发波长,测定300~335 nm波长范围内的荧光光谱,分别使用PCR和GA-PCR两种校正模型对光谱数据进行解析,并同时对3种异构体进行定量分析。研究结果表明,两种方法对邻、间、对甲酚进行预测的平均回收率分别为89.0%、107.5%、100.4%和100.6%、99.1%、98.0%,均方根预测误差分别为0.71、0.49、0.15μg/m L和0.17、0.16、0.21μg/m L,精密度试验的相对标准偏差均小于1.0%,且经GA优化后的PCR方法的加标回收率得到了明显改善,均方根预测误差减小50%,具有更好的准确度。     

Volatile fraction of commercial thyme honeys produced in Mediterranean regions and key volatile compounds for geographical discrimination: A chemometric approach

The aim of the present study was to investigate the volatile fraction and discriminate 34 commercial thyme honeys from Morocco, Egypt, Spain, and Greece according to geographical origin, using key volatile compounds in combination with chemometrics. Sixty-two volatile compounds belonging to different classes were identified and semi-quantified using headspace solid phase micro-extraction coupled to gas chromatography/mass spectrometry (HS-SPME-GC/MS). Applying chemometric analyses to 17 volatiles (p < 0.05), honeys were successfully discriminated according to geographical origin. Correct classification rate was 88.2% using the cross-validation method. Volatile compounds proved to be a powerful tool for discriminating commercial thyme honeys from different countries.     

In vitro digestibility of phenolic compounds from edible fruits: could it be explained by chemometrics?

The health benefits of phenolic compounds depend on the ingested amount, molecular diversity and gastrointestinal digestibility. The phenolic profile of eight fruits (blackberry, blueberry, strawberry, raspberry, mulberry, pomegranate, green and red globe grapes) was chemometrically associated with their in vitro digestibility (oral, gastric, intestinal). Extractable phenols, flavonoids and anthocyanins strongly correlated with each other (r ≥ 0.84), proanthocyanidins with anthocyanins (r = 0.62) and hydrolysable phenols with both extractable phenols (r = 0.45) and proanthocyanidins (r = ?0.54). Two principal components explained 93% of the variance [61% (free‐phenols), 32% (bounded‐phenols)], and four clusters were confirmed by hierarchical analysis, based in their phenolic richness (CLT 1‐4: low to high) and molecular diversity. In vitro digestibility of extractable phenols and flavonoids was blackberry (CLT‐4)> raspberry (CLT‐2)> red grape (CLT‐1) related to their phenolic richness (r ≥ 0.96; P < 0.001), but anthocyanins’ digestibility was pH‐dependent. Chemometrics is useful to predict the in vitro digestibility of phenolic compounds in the assayed fruits.     

A possible way to predict the genetic relatedness of selected almond cultivars

Some multivariate statistical techniques were applied to the fatty acid composition of almond seed for a set of 107 samples of cultivars grown in different environmental conditions. These techniques reveal a close similarity in fatty acid composition among a cultivar and its ancestors as in the case of Ferragnes and Masbovera. Interestingly, the Guara cultivar seems to be very similar to the Tuono cultivar. Another finding suggests that the typical Spanish cultivars Desmayo Largueta and Marcona have a similar fatty acid profile to the American cultivar Non Pareil. Independent of environmental conditions, this shows a possible common parentage in the pedigree of these cultivars.     

Modelling aluminium leaching into food from different foodware materials with multi-level factorial design of experiments

To estimate the contribution of aluminium (Al) leaching from different materials used for food preparation and serving to the dietary Al intake, Al release from foodware typically used in everyday life was investigated using multilevel factorial design (MFD) of experiments. For Al characterisation, sample preparation and an analytical method using inductively coupled plasma atomic emission spectroscopy was developed and validated. Parameter influence (temperature: x ₁, contact time: x ₂, pH: x ₃, salt concentration: x ₄, viscosity: x ₅), was evaluated with analysis of variance suggesting that the influence of viscosity is not significant compared to the other four studied parameters. Therefore, predictive, exponential quadratic regression models were established with x ₁–x ₄. Cross-validation and a set of independent experiments in real food products were used to test the prediction force of the different models. They both suggest that the quality of the models established for Al foil, Al plate and ceramic ware is satisfactory, but less good for glassware and stainless steel. Indeed, in the studied conditions, leaching from these latter food wares was often close to or even below the limit of quantification suggesting that the principal sources of Al intake from food contact materials during food processing are utensils made of Al and ceramic ware.