Fatty acid esters of 3-monochloropropane-1,2-diol (3-MCPD esters) are a new group of processing-induced chemical toxicants with possible nephrotoxicity and testicular toxicity. 3-MCPD esters have ...been detected in many food categories, including refined edible oils, bread, coffee, and infant formula. 3-MCPD esters have also been detected in human breast milk, indicating their possible absorption and distribution in human organs and tissues. 3-MCPD esters have become a food safety concern, and in 2013 the European Food Safety Authority estimated a tolerable daily value (TDI) of 2 μg kg body weight (BW) for the amount of free 3-MCPD. This review summarizes the available information on 3-MCPD ester research, including the analytical methods, exposure biomarkers, absorption and metabolism, toxicities, formation mechanisms, and mitigation strategies as well as the occurrence of 3-MCPD esters in human foods. This review may serve as a scientific foundation for advancing our understanding of 3-MCPD esters and their food safety concerns.
As one of the staple foods for the world's major populations, the safety of wheat is critical in ensuring people's wellbeing. However, mildew is one of the prevalent safety issues that threatens the ...quality of wheat during growth, production, and storage. Due to the complex nature of the microbial metabolites, the rapid identification of moldy wheat is challenging.
In this research, identification of moldy wheat samples was studied using ultra-performance liquid chromatography - quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) coupled with chemometrics. The non-targeted PCA model for identifying moldy wheat from normal wheat was established by using previously established compounds database of authentic wheat samples. The partial least squares-discriminant analysis (PLS-DA) was performed.
By optimizing the model parameters, correct discrimination of the moldy wheat as low as 5% (w/w) adulteration level could be achieved. Differential biomarkers unique to moldy wheat were also extracted to identify between the moldy and authentic wheat samples. The results demonstrated that the chemical information of wheat combined with the existing PCA model could efficiently discriminate between the constructed moldy wheat samples. The study offered an effective method toward screening wheat safety.
•TAGs and DAGs in cow milk fat were firstly analysed by UPC2.•Fifty-six TAGs and DAGs were identified by Q-TOF-MS.•The present method resulted a better resolution and shorter analytical time.•The ...UPC2/Q-TOF-MS method could be an alternative way for TAGs and DAGs analysis.
An ultra-performance convergence chromatography (UPC2) system coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was successfully utilised to analyse triacylglycerols and diacylglycerols in cow milk fat. This novel approach obtained an improved resolution of triacylglycerols in comparison to previously reported chromatographic methods combined with MS detector in a shorter analytical time. A total of 49 triacylglycerols and 7 diacylglycerols were identified according to their secondary MS profiles and elementary composition. Furthermore, UPC2 is an environmental friendly analytical method with a drastic reduction of organic solvent usage. The established UPC2-MS approach has potential application in lipidomics as an alternative method besides LC–MS and GC–MS.
Coffee is an important commercial product that arose various quality issues. Different techniques have been applied to detect coffee quality. This review focused on the recent updates in the ...detection methods of coffee from a targeted versus nontargeted perspective. This review introduced case studies of the current research progresses on targeted and nontargeted detection approaches. Their merits and demerits were evaluated as an analysis of coffee quality. The targeted approach, including liquid chromatography (LC), gas chromatography (GC), thin-layer chromatography (TLC), and capillary electrophoresis (CE), evaluates the quality of coffee by specific markers, whereas the nontargeted approach tests whether the sample is abnormal, without prior knowledge of what caused the abnormality, usually coupled with chemometrics. The nontargeted techniques commonly involve LC, GC, nuclear magnetic resonance (NMR), infrared spectroscopy (IR), ultraviolet-visible spectroscopy (UV-Vis), laser-induced breakdown spectroscopy (LIBS), and mass spectrometry (MS). This work may provide guidance for resolving most aspects of the quality problems in coffee, such as adulterant detection, species identification, and geographical origin discrimination.
The analysis of variance-projected difference resolution (ANOVA-PDR) was proposed and compared with multivariate classification for its potential in detecting possible food adulteration in extra ...virgin olive oils (EVOOs) by UV-Vis spectra. Three factors including origin, adulteration level, and adulteration type were systematically examined by the ANOVA-derived methods. The ANOVA-PDR quantitatively presented the separation of the internal classes according to the three main factors. Specifically, the average ANOVA-derived PDRs of the EVOO origination and adulteration level, respectively, is 4.01 and 1.78, while the conventional PDRs of the three factors are all less than 1.5. Furthermore, the partial least-squares-discriminant analysis (PLS-DA) and the PLS regression (PLSR) modeling with the selected sub-datasets from different origins were used to verify the results. The resulting models suggested that the three main factors and their interactions were all important sources of spectral variations.
The water and ethanol extracts of huangqin, the roots of
Georgi. with potential antiviral properties and antioxidant activities, were investigated for their chemical profiles and their abilities to ...interfere with the interaction between SARS-CoV-2 spike protein and ACE2, inhibiting ACE2 activity and scavenging free radicals. A total of 76 compounds were tentatively identified from the extracts. The water extract showed a greater inhibition on the interaction between SARS-CoV-2 spike protein and ACE2, but less inhibition on ACE2 activity than that of the ethanol extract on a per botanical weight concentration basis. The total phenolic content was 65.27 mg gallic acid equivalent (GAE)/g dry botanical and the scavenging capacities against HO
, DPPH
, and ABTS
were 1369.39, 334.37, and 533.66 µmol trolox equivalent (TE)/g dry botanical for the water extract, respectively. These values were greater than those of the ethanol extract, with a TPC of 20.34 mg GAE/g, and 217.17, 10.93, and 50.21 µmol TE/g against HO
, DPPH
, and ABTS
, respectively. The results suggested the potential use of huangqin as a functional food ingredient in preventing COVID-19.
•Differentiating the organic and conventional basils by HPLC and FIMS fingerprints.•The organic basils contained greater major compounds than their conventional counterparts.•The FIMS method provided ...a rapid test to differentiate the organic and conventional basils.
Sweet basil, Ocimum basilicum, is one of the most important and wildly used spices and has been shown to have antioxidant, antibacterial, and anti-diarrheal activities. In this study, high performance liquid chromatographic (HPLC) and flow-injection mass spectrometric (FIMS) fingerprinting techniques were used to differentiate organic and conventional sweet basil leaf samples. Principal component analysis (PCA) of the fingerprints indicated that both HPLC and FIMS fingerprints could effectively detect the chemical differences in the organic and conventional sweet basil leaf samples. This study suggested that the organic basil sample contained greater concentrations of almost all the major compounds than its conventional counterpart on a per same botanical weight basis. The FIMS method was able to rapidly differentiate the organic and conventional sweet basil leaf samples (1min analysis time), whereas the HPLC fingerprints provided more information about the chemical composition of the basil samples with a longer analytical time.
Fatty acid esters of 3-monochloropropane 1,2-diol (3-MCPD) are a group of processing-induced toxicants. To better clarify their possible toxicological effects and mechanisms, it is important to ...investigate their absorption, distribution, metabolism, and excretion. In this study, the kinetic parameters of 3-MCPD dipalmitate in Sprague Dawley (SD) rat plasma were determined using ultraperformance liquid chromatography–triple quadrupole mass spectrometry. 3-MCPD dipalmitate was absorbed in rats with a C max of 135.00 ng/mL, a T 1/2 of 3.87 h, a T max of 2.5 h, an MRT of 5.08 h, a CL of 3.50 L/h/g, a V d of 21.34 L/g, and an AUC0–∞ of 458.47 h·ng/mL. A total of 17 metabolites were identified, and 16 of them were reported for the first time. Furthermore, these metabolites were examined for their presences in the liver, kidney, testis, brain, spleen, thymus, intestine, plasma, feces, and urine samples 2, 6, 12, 24, and 48 h after oral administration of 3-MCPD dipalmitate using Metabolynx software.
Formation of 3-monochloropropanediol (3-MCPD) esters from monostearoyl glycerol (MSG) was investigated under high temperature and low moisture conditions. Different organic and inorganic chlorides, ...including lindane, KCl, CaCl2, NaCl, MgCl2, AlCl3, CuCl2, MnCl2, SnCl2, ZnCl2, and FeCl3, were evaluated for their potential to react with MSG to form 3-MCPD and glycidyl esters at 120 and 240 °C using a UPLC-Q-TOF MS analysis. The results indicated that different chlorine compounds differed in their capacity to react with MSG and formed different products including 3-MCPD mono- and diesters, distearoylglycerol, and glycidyl esters. According to electron spin resonance (ESR) and Fourier transform infrared (FT-IR) spectroscopies, free radical mediated formation mechanisms involving either five-membered or six-membered cyclic acyloxonium free radicals (CAFR) from monoacylglycerol (MAG) were proposed. Tandem quadrupole-time-of-flight (Q-TOF) MS and MS/MS analyses confirmed the free radical mechanisms. In addition, the results from the present study showed that 3-MCPD monoester could be degraded upon thermal treatment and suggested a possible catalytic role of Fe3+ under the experimental conditions.
Zein composite particles coated with caseinate-pectin electrostatic complexes (zein-caseinate-pectin particles) were fabricated using an electrostatic deposition and liquid-liquid dispersion method ...without heating treatment. Compared to zein particles coated only with caseinate, the acidic stability of zein-caseinate-pectin particles was greatly improved, and the particle aggregation was suppressed at pH 3-6, especially at pH values near the isoelectric point of caseinate (pH 4-5). Besides, desirable long-term storage stability and re-dispersibility were observed. Under different zein to curcumin (Cur) feeding ratios (10:1, 20:1, 30:1 and 40:1,
/
), the Cur-loaded zein-caseinate-pectin particles had a spherical shape with an average diameter ranging from 358.37 to 369.20 nm, a narrow size distribution (polydispersity index < 0.2) and a negative surface charge ranging from -18.87 to -19.53 mV. The relatively high encapsulation efficiencies of Cur (81.27% to 94.00%) and desirable re-dispersibility were also achieved. Fluorescence spectroscopy indicated that the encapsulated Cur interacted with carrier materials mainly through hydrophobic interactions. The
release profile showed a sustained release of Cur from zein-caseinate-pectin particles in acidic aqueous environment (pH 4) up to 24 h, without any burst effect. In addition, the encapsulation retained more ABTS
radical scavenging capacity of Cur during 4 weeks of storage. These results suggest that zein-caseinate-pectin particles may be used as a potential delivery system for lipophilic nutrients in acidic beverages.
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