Analysis of lard in meatball broth using Fourier transform infrared spectroscopy and chemometrics

Meatball is one of the favorite foods in Indonesia. For the economic reason (due to the price difference), the substitution of beef meat with pork can occur. In this study, FTIR spectroscopy in combination with chemometrics of partial least square (PLS) and principal component analysis (PCA) was used for analysis of pork fat (lard) in meatball broth. Lard in meatball broth was quantitatively determined at wavenumber region of 1018–1284 cm^− 1. The coefficient of determination (R²) and root mean square error of calibration (RMSEC) values obtained were 0.9975 and 1.34% (v/v), respectively. Furthermore, the classification of lard and beef fat in meatball broth as well as in commercial samples was performed at wavenumber region of 1200–1000 cm^− 1. The results showed that FTIR spectroscopy coupled with chemometrics can be used for quantitative analysis and classification of lard in meatball broth for Halal verification studies. The developed method is simple in operation, rapid and not involving extensive sample preparation.     

Determination of anthocyanins in red wine using a newly developed method based on Fourier transform infrared spectroscopy

The feasibility of Fourier transform infrared (FTIR) spectroscopy for determination of anthocyanins in red wines was studied. The FTIR spectra were gathered using a WineScan FT 120 instrument. A process based on HPLC was used as reference method to determine the 3-monoglucosides of cyanidin, peonidin, delphinidin, petunidin and malvidin, as well as its acetic acid esters and p-coumaric acid esters. The calibration set was constituted by 350 samples of young red wines from different Spanish Denominations of Origin and the validation set by 40 representative samples. Partial least squares regression (PLS) was the multivariate method that carried out calibrations. Prediction error SEC was between 0.15 and 23.79 mg/L. Validation equations developed to correlate reference and FTIR methods disclosed a systematic error in the determination of certain anythocyanins, however, this error could be overcome by application of a correction factor. The results suggest that the WineScan FT 120 analyzer is suitable for routine laboratory measurement of anthocyanins and provides additional information regarding red wine colour.     

Rapid classification of virgin and recycled EPS containers by Fourier transform infrared spectroscopy and chemometrics

ABSTRACT

A rapid and sensitive method for classification of virgin and recycled expanded polystyrene (EPS) food containers was developed using Fourier transform infrared spectroscopy (FTIR) and chemometrics. This method includes preparing a transparent film by dissolution, examining by FTIR and developing classification models. The degradation of EPS containers occurring during the recycling process was reflected by the carbonyl region of the infrared spectrum which was used as variables for multivariate data analysis. PCA was used to reduce the data dimension and view the sample similarities. Soft independent modelling of class analogy (SIMCA), partial least squares-discrimination analysis (PLS-DA) and linear discrimination analysis (LDA) were applied to construct three classification models. The best discrimination results were obtained by an LDA model, with all samples correctly classified. PLS-DA and SIMCA could not classify the recycled EPS samples with low levels of adulteration. When applying this method to commercially available EPS containers, about 45% of samples were shown to contain recycled polystyrene resins. It is concluded that the carbonyl region of the infrared spectra coupled with chemometrics could be a powerful tool for the classification of virgin and recycled EPS food containers.     

Rapid discrimination of pork in Halal and non-Halal Chinese ham sausages by Fourier transform infrared (FTIR) spectroscopy and chemometrics

Rapid discrimination of pork in Halal and non-Halal Chinese ham sausages was developed by Fourier transform infrared (FTIR) spectrometry combined with chemometrics. Transmittance spectra ranging from 400 to 4000cm(-1) of 73 Halal and 78 non-Halal Chinese ham sausages were measured. Sample preparation involved finely grinding of samples and formation of KBr disks (under 10MPa for 5min). The influence of data preprocessing methods including smoothing, taking derivatives and standard normal variate (SNV) on partial least squares discriminant analysis (PLSDA) and least squares support vector machine (LS-SVM) was investigated. The results indicate removal of spectral background and baseline plays an important role in discrimination. Taking derivatives, SNV can improve classification accuracy and reduce the complexity of PLSDA. Possibly due to the loss of detailed high-frequency spectral information, smoothing degrades the model performance. For the best models, the sensitivity and specificity was 0.913 and 0.929 for PLSDA with SNV spectra, 0.957 and 0.929 for LS-SVM with second derivative spectra, respectively.     

Secondary structural studies of bovine caseins: temperature dependence of β-casein structure as analyzed by circular dichroism and FTIR spectroscopy and correlation with micellization

To obtain a molecular basis for the similarities and dissimilarities in the functional, chemical, and biochemical properties between β-casein and the other caseins, three-dimensional models have been presented. Secondary structural prediction algorithms and molecular modeling techniques were used to predict β-casein structure. The secondary structure of bovine β-casein was re-examined using Fourier transform infrared and circular dichroism spectroscopies to test these predictions. Both methods predict a range of secondary structures for β-casein (28–32% turns, 32–34% extended) at 25°C. These elements were highly stable from 5 to 70°C as viewed by circular dichroism. More flexible conformational elements, tentatively identified as loops, helix and short segments of polyproline II, were influenced by temperature, increasing with elevated temperatures. Another view is that as temperature decreases, these elements are lost (cold denaturation). Several distinct transitions were observed by circular dichroism at 10, 33 and 41°C, and another transition, extrapolated to occur at 78°C. Calculations from analytical ultracentrifugation indicate that the 10, 33 and 41°C transitions occur primarily in the monomeric form of the protein. As β-casein polymers are formed, and increase in size, the transitions at higher temperature may reflect changes in the more flexible conformational elements as they adjust to changes in surface charge during polymer formation. The transition at 10°C may represent an actual general conformational change or cold denaturation. Over the range of temperatures studied, the sheet and turn areas remain relatively constant, perhaps forming a supporting hydrophobic core for the monomers within the micelle-like polymer. This interpretation is in accord with the known properties of β-casein, and those predicted from molecular modeling.     

大豆分离蛋白与低浓度尿素相互作用红外光谱分析

对大豆分离蛋白(SPI)与低浓度尿素溶液相互作用红外光谱进行酰胺Ⅲ带研究。研究结果表明,溶解在不同浓度尿素溶液中大豆分离蛋白二级结构与大豆分离蛋白水溶液相比发生很大变化,在0.1mol·L~(-1)尿素溶液中大豆分离蛋白β-折叠含量最小,随着尿素浓度增加,β-折叠含量增加,无规卷曲含量在0.1mol·L~(-1)尿素溶液中达到最大,之后随尿素浓度增加而降低;α-螺旋和β-转角随着尿素浓度增加,其含量都呈现先增加后下降趋势,在1mol·L~(-1)尿素溶液中两者含量与大豆分离蛋白水溶液中含量相比变化不大。     

Electrostatic effects on β-lactoglobulin transitions during heat denaturation as studied by differential scanning calorimetry

This work comprises the study of the thermal treatment of β-lg and its denaturation as a function of pH and ionic strength followed by differential scanning calorimetry. The concentration of protein was 14 (w/v)% in order to study the behaviour of highly concentrated β-lg solutions during heating. The denaturation temperature of β-lg was dependent on both pH and ionic strength, meaning that electrostatic interactions between protein monomers in the native state were important for the denaturation of β-lg. The thermograms from the calorimetric measurements also revealed that the quarternary structure of β-lg at pH-values close to the isoelectric point was influenced by the presence of salt and the nature of the salt (NaCl, KI and LiI). Small exotherms emerged in the thermograms at the low temperature side of the denaturation temperature for β-lg. The presences of these exotherms are probably caused by restructuring of the quarternary structure of native β-lg prior to denaturation, due to dissociation into smaller entities and possible also formation of a liquid crystalline-like structure in the highly concentrated protein solution. The present study provides a contribution to the understanding of the importance of the electrostatic interactions between native β-lg molecules and how different salts and ionic strengths affect the denaturation properties of the protein in concentrated systems.     

Caprine CSN1S1 haplotype effect on gene expression and milk composition measured by Fourier transform infrared spectroscopy

The Norwegian dairy goat population has a high frequency of a CSN1S1 (α_S1-casein) haplotype with negative effects on protein and fat content. It is characterized by a single point deletion in exon 12 of CSN1S1, leading to a truncated protein and hence a low content of α_S1-casein in the milk. This haplotype together with another haplotype with a deletion in exon 9 are called “weak” haplotypes. “Strong” haplotypes, on the other hand, have positive effects on important milk production traits. We show that expression of CSN1S1 in the mammary gland of lactating goats is significantly lower in animals with 2 weak haplotypes. Moreover, the effects of defective alleles were not detected in animals having 1 strong and 1 weak haplotype. Expression levels of other genes in the casein cluster were not affected by the CSN1S1 haplotypes investigated. Milk samples from goats with 2 weak haplotypes could be distinguished from the other milk samples using Fourier transform infrared (FTIR) spectroscopy and partial least squares discriminant analysis (PLS-DA). The PLS-DA components were related to spectra of pure caseins and whey proteins, hence FTIR has a potential for identifying milk samples with low α_S1-casein content and different protein composition. The results indicate that FTIR-based measurements can be incorporated into breeding plans, or for selection of milk samples with high casein content, which in turn may improve cheese-making properties of the milk.     

Effect of gamma irradiation parameters on the in-vitro digestibility of β-lactoglobulin

Radiation level and protein conformation during irradiation may modify a protein's response to ionising energy and change its nutritional value. Effects of gamma irradiation on protein in-vitro digestibility and amino acid release were investigated using β-lactoglobulin as a model protein. Irradiation with ⁶⁰Co was performed at a range of 1–50 kGy on liquid or frozen samples atA_w 0.93, with pH adjusted to 5.2 or 7.0, and on dry samples atA_w 0.13. Amino acid composition, in-vitro protein digestibility and amino acid release were not impaired by irradiation at the highest dose of 50 kGy. Thus the nutritional quality of β-lactoglobulin was not affected by irradiation in a dose range likely to be used in food processing.     

Application of Fourier transform infrared spectroscopy for the quality and safety analysis of fats and oils: A review

Abstract

Fats and oils are essential food components. Their quality and safety pose major concerns for consumers and food producers because of factors such as oxidation and rancidity, excessive levels of trans fatty acid (TFA), and widespread adulteration. Thus, a rapid and easy-to-use technique must be exploited for quality parameter evaluation and monitoring to ensure the edibility, safety, and quality of fats and oils. In the last decades, Fourier transform infrared (FTIR) spectroscopy has shown great potential in analyzing fats and oils given its speed and simplicity. FTIR-based analytical techniques for common intrinsic quality parameters, including peroxide value, free fatty acid, moisture, TFA, iodine value, as well as oxidation stability, adulteration, and classification of various fats and oils, are summarized in this review. The advantages and disadvantages of selected infrared spectral accessories and sample preparation and spectral processing methods are highlighted. The prospects and reformative aspects for future application of the FTIR technique in the field of fats and oils are also discussed. This review may serve as a basis for applying FTIR not only in future research but also in the fat and oil industries.     

Cold-set thickening mechanism of β-lactoglobulin at low pH: Concentration effects

There is an interest in developing protein based thickening agents for nutritional considerations. A procedure to convert whey protein concentrates or isolates into a pH modified cold-thickening ingredient was developed. Concentration effects on thickening mechanism of this whey protein ingredient were studied with a β-lactoglobulin model system at the pH of the modification procedure, 3.35. In this study, concentration effects on thermal aggregation of β-lactoglobulin were studied at low pH using capillary and rotational viscometry, transmission electron microscopy (TEM), and high performance liquid chromatography coupled with multi-angle laser light scattering (HPLC-MALS). From the results of capillary viscometry, a critical concentration (C_c  6.9% w/w) was identified below which no significant thickening functionality could be achieved. Microscopy revealed formation of flexible fibrillar network at pH 3.35 during heating at all concentrations. These flexible fibrils had a diameter of about 5 nm and persistence length of about 35 nm as compared to more linear and stiff fibrils formed at pH 2 and low ionic strength conditions. Under similar heating conditions at concentration above C_c, larger aggregates similar to microgels were observed compared to the concentration below C_c, where isolated fibrils with an average contour length of about 130 nm were observed. These microgels and apparently stronger interactions between aggregates at concentrations above C_c were seemingly responsible for thickening functionality of heated β-lactoglobulin solutions and subsequently modified powders. Further investigation of β-lactoglobulin aggregation at this pH may provide capability to mechanistically tailor the functional attributes of modified ingredients.     

Cryogelation of cereal β-glucans: structure and molecular size effects

The effects of molecular size and fine structure of mixed-linkage cereal (1→3), (1→4) β- -glucans (β-glucans) on their cryogelation behavior were investigated. Values of apparent molecular weight (M_w) for oat β-glucans ranged between 65 and 200×10³, whereas the respective values for both barley and wheat β-glucan preparations were about 200×10³. The fine structure of cereal β-glucans, as assessed by high-performance anion-exchange chromatography of the cellulosic oligomers released by the action of lichenase, revealed differences in the relative amounts of 3-O-β-cellobiosyl- -glucose (DP3) and 3-O-β-cellotriosyl- -glucose (DP4) units only among the different genera of cereals; the weight percent of DP3 units estimated as 67.1, 63.3, and 55.3–55.8% for wheat, barley, and oat β-glucans, respectively. Aqueous β-glucan solutions (1–3% w/v) were subjected to 12 freezing (−18 °C for 24 h) and thawing (5 °C for 24 h) cycles. The phenomenological appearance of the gelled materials obtained after this process as well as the yield of cryostructurates were influenced by the initial solution concentration, the number of freeze–thaw cycles, as well as by the molecular features of the β-glucans. Such effects were unraveled by studying the cryogelation process with differential scanning calorimetry (DSC), small strain dynamic rheometry, and large deformation mechanical measurements. For the cereal β-glucan cryogels the storage modulus, G′, increased and the tan δ decreased with decreasing polysaccharide molecular size and with increasing initial solution concentration, number of freeze–thaw cycles, and trisaccharide segments in the polymeric chains. The apparent melting enthalpy values (ΔH) of β-glucan cryostructurates, as determined from the DSC endothermic peaks, increased with decreasing molecular size and with increasing amount of cellotriose units, but they were independent of the number of freeze–thaw cycles. The DSC melting temperature of the gel network was found to increase with the molecular size and amount of DP3 units of β-glucans. Moreover, large deformation mechanical tests (compression mode) revealed an increase in strength of cereal β-glucan cryogels with increasing molecular size and decreasing trisaccharide units in the polysaccharide preparation.     

Evaluation of Fourier transform infrared (FT-IR) spectroscopy and chemometrics as a rapid approach for sub-typing Escherichia coli O157:H7 isolates

The importance of tracking outbreaks of foodborne illness and the emergence of new virulent subtypes of foodborne pathogens have created the need for rapid and reliable sub-typing methods for Escherichia coli O157:H7. Fourier transform infrared (FT-IR) spectroscopy coupled with multivariate statistical analyses was used for sub-typing 30 strains of E. coli O157:H7 that had previously been typed by multilocus variable number tandem repeat analysis (MLVA) and pulsed field gel electrophoresis (PFGE). Hierarchical cluster analysis (HCA) and canonical variate analysis (CVA) of the FT-IR spectra resulted in the clustering of the same or similar MLVA types and separation of different MLVA types of E. coli O157:H7. The developed FT-IR method showed better discriminatory power than PFGE in sub-typing E. coli O157:H7. Results also indicated the spectral relatedness between different outbreak strains. However, the grouping of some strains was not in complete agreement with the clustering based on PFGE and MLVA. Additionally, HCA of the spectra differentiated the strains into 30 sub-clusters, indicating the high specificity and suitability of the method for strain level identification. Strains were also classified (97% correct) based on the type of Shiga toxin present using CVA of the spectra. This study demonstrated that FT-IR spectroscopy is suitable for rapid (≤16 h) and economical sub-typing of E. coli O157:H7 with comparable accuracy to MLVA typing. This is the first report of using an FT-IR-based method for sub-typing E. coli O157:H7.     

Mechanistic and conformational studies on the interaction of food dye amaranth with human serum albumin by multispectroscopic methods

The mechanism of interaction between food dye amaranth and human serum albumin (HSA) in physiological buffer (pH 7.4) was investigated by fluorescence, UV–vis absorption, circular dichroism (CD), and Fourier transform infrared (FT-IR) spectroscopy. Results obtained from analysis of fluorescence spectra indicated that amaranth had a strong ability to quench the intrinsic fluorescence of HSA through a static quenching procedure. The negative value of enthalpy change and positive value of entropy change elucidated that the binding of amaranth to HSA was driven mainly by hydrophobic and hydrogen bonding interactions. The surface hydrophobicity of HSA increased after binding with amaranth. The binding distance between HSA and amaranth was estimated to be 3.03 nm and subdomain IIA (Sudlow site I) was the primary binding site for amaranth on HSA. The results of CD and FT-IR spectra showed that binding of amaranth to HSA induced conformational changes of HSA.     

Hydrolysis of galactooligosaccharides by commercial preparations of α-galactosidase and β-fruetofuranosidase: Potential for use as dietary additives

In vitro and in vivo studies were conducted with six commercial enzyme preparations (SP249, Energex, Rohament CW, Novozyme 230 and crude α -galactosidase) to determine their effectiveness in hydrolysing galactooligosaccharides from soya bean and canola meal in the gastrointestinal tract of poultry. The use of the enzyme invertase to enhance galactoside hydrolysis was also studied. A wide range of α -galactosidase activity was observed in vitro, with crude α-galactosidase from Mortirella vinacea and Novozyme 230 preparation showing the highest activity values of 4.3 and 1.5 nkat mg^?1, respectively. All preparations with the exception of crude α-galactosidase showed invertase activity which is known to convert raffinose and stachyose to the corresponding di-and trisaccharide, melibiose and manninotriose. Although the activity of invertase was highest on sucrose, the Novozyme 230 preparation showed activity values of 4.2 and 2.3 nkat mg^?1 toward raffinose and stachyose substrates, respectively. De novo synthesis of raffinose was observed when soya bean meal, canola meal or pure sucrose and galactose were incubated with certain enzyme preparations (ie Energex). In general, preparations possessing hydrolytic activity towards galactooligosaccharides showed very little synthesis of raffinose while preparations capable of generating raffinose were very weak in the hydrolysis of galactooligosaccharides. The best result in terms of galactooligosaccharide in vitro hydrolysis of canola and soya bean meal was obtained with a combination of α-galactosidase and invertase. In the in vivo study with caecectomised hens, hydrolysis of galactooligosaccharides averaged 88% when crude α-galactosidase (2 g kg^?1) and invertase (1 g kg^?1) were added to laying, hen diet containing 200 g soya bean meal per kilogram. A problem identified in the current study was that minerals such as calcium phosphate and calcium carbonate common in poultry diets inhibit the hydrolysis activity of α-galactosidase, indicating that high levels of activity would be required to yield a response in practical poultry feeding.     

Differential scanning calorimetry study of pressure/temperature processed β-lactoglobulin: The effect of dextran sulphate

β-Lactoglobulin at pH 7 in the presence or absence of dextran sulphate (1:1 weight ratio) was subjected to a combined pressure and temperature treatment (pressures up to 280 MPa, temperature up to 60 °C and time up to 30 min). The effect of the treatment was assessed post-processing using differential scanning calorimetry. The thermograms in absence of dextran sulphate were very broad with possibly a shoulder on the low temperature side and showed a decrease in calorimetric enthalpy as the intensity of treatment increased. In the presence of dextran sulphate the thermograms had a much sharper shape. The calorimetric enthalpy was reduced further than in the absence of dextran sulphate. This demonstrated that the polysaccharide sensitised the protein to the combined treatment. Treatment with pressure and temperature alone demonstrated that dextran sulphate sensitised the protein structure to pressure. The species created by the combined process could be in the molten globule state and possess improved functional properties. Also the operating parameters applied could potentially be conditions for improved functionality.     

Investigation of the interaction between (−)‐epigallocatechin‐3‐gallate with trypsin and α‐chymotrypsin

Tea polyphenol (TP) inhibits digestive enzymes and reduces food digestibility. To explore the interaction between TP with digestive enzymes, bindings of ‐epigallocatechin‐3‐gallate (EGCG) to trypsin and α‐chymotrypsin were studied in detail using fluorescence, resonance light‐scattering, circular dichroism, fourier transform infrared spectroscopy methods and protein‐ligand docking. The binding parameters were calculated according to Stern–Volmer equation, and the thermodynamic parameters were determined by the van't Hoff equation. The results indicated that EGCG was capable of binding trypsin and α‐chymotrypsin with high affinity, resulting in a change of native conformation of these enzymes. EGCG had a greater influence on the structure of α‐chymotrypsin than trypsin. This study can be used to explain the binding interaction mechanism between TP and digestive enzymes.     

Nondestructive estimation of maturity and textural properties on tomato ‘Momotaro’ by near infrared spectroscopy

Near infrared spectroscopy offers the possibility to classify and predict the internal quality of fruits and vegetables. The objective of this study was to evaluate the ability of near infrared spectroscopy to classify the maturity level and to predict textural properties of tomatoes variety “Momotaro”. Principal component analysis (PCA) and Soft independent modeling of class analogy (SIMCA) were used to distinguish among different maturities (mature green, pink and red). Partial least squares (PLS) regression was used to estimate textural properties, alcohol insoluble solids and soluble solids content of the tomatoes. The PCA calibration model with mean normalization pretreatment spectra of mature green tomatoes, gave the highest distinguishability (96.85%). It could classify 100.00% of red and pink tomatoes. The SIMCA model could not give better accuracy in maturity classification than individual PCA models. Among the textural parameters measured, the bioyield force from the puncture test with the near infrared (NIR) spectra (between 1100 and 1800 nm) pretreated by multiplicative scatter correction (MSC) had the highest correlation coefficient between NIR predicted and reference values (r = 0.95) and lowest standard error of prediction (SEP = 0.35 N) and bias of 0.19 N. The ratio of standard deviation of reference data of prediction set to standard error of prediction (RPD) was 2.71. In the case of Momotaro tomato, NIR spectroscopy by using PLS regression could not predict alcohol insoluble solids in fresh weight accurately but could predict soluble solids content well with r of 0.80, SEP of 0.210 %Brix and bias of 0.022 %Brix.     

Effect of β-cyclodextrin on antioxidant activity of coumaric acids

Inclusion complexes of o-, m- and p-coumaric acid (CA) with β-cyclodextrin (βCD) were prepared in stoichiometric ratios (1:1) and stability constants and antioxidant activity of the complexes were studied. The apparent stability constants in aqueous solution of 0.39 × 10³ M⁻¹, 2.81 × 10³ M⁻¹ and 49 × 10³ M⁻¹ for o-, m- and p-CA complexes, respectively, were determined by phase solubility tests. Different analytical techniques (IR, MS) in combination with different solvent washing procedures, were used for confirmation of the nature of the inclusion complexes. Dioxan was a suitable solvent for removal of only free CA and CA adsorbed on the surface of the βCD, while methanol removed absorbed, included and free CA from the complexes. In the case of o- and m-CA–βCD complexes, antioxidant activity was significantly increased while, in p-CA–βCD, it remained unchanged. The impact of complex structure on antioxidant activity of CA isomers was clarified.