Mathematical and computational modeling of fats and triacylglycerides.

Fats and oils are found in many food products; however, their macroscopic properties are difficult to predict, especially when blending different fats or oils together. With difficulties in sourcing specific fats or oils, whether due to availability or pricing, food companies may be required to find alternative sources for these ingredients, with possible differences in ingredient performance. Mathematical and computational modeling of these ingredients can provide a quick way to predict their properties, avoiding costly trials or manufacturing problems, while, most importantly, keeping the consumers happy. This review covers a range of mathematical models for triacylglycerides (TAGs) and fats, namely, models for the prediction of melting point, solid fat content, and crystallization temperature and composition. There are a number of models that have been designed for both TAGs and fats and which have been shown to agree very well with empirical measurements, using both kinetic and thermodynamic approaches, with models for TAGs being used to, in turn, predict fat properties. The last section describes computational models to simulate the behavior of TAGs using molecular dynamics (MD). Simulation of TAGs using MD, however, is still at an early stage, although the most recent papers on this topic are bringing this area up to speed.

Batch and continuous enzymatic interesterification of beef tallow: Interesterification degree, reaction relationship, and physicochemical properties.

The relationship between batch and continuous enzymatic interesterification was studied through enzymatic interesterification of beef tallow. The interesterification degree (ID) during the batch reaction was monitored based on triacylglycerol composition, sn-2 fatty acid composition, solid fat content, and melting profile and was described by an exponential model. A relationship equation featuring reaction parameters of the two reations was established to predict the ID and physicochemical characteristics in continuous interesterification. The prediction of the ID based on triacylglycerol composition was reliable, with an R2 value greater than 0.85. Interesterification produced more high-melting-point components for both reactions, but the acyl migration in the batch-stirring reactor was much greater, resulting in faster crystallization, a more delicate crystal network, and lower hardness. The relationship equation can be employed to predict the ID, but the prediction of physicochemical properties was constrained by the difference in acyl migration degree between the two reactions.

Thermophysical properties of blends composed of Amazonian fats and soybean oil.

Thermophysical properties of blends composed of soybean oil and fats obtained from fruits and seeds from Brazilian Amazonian region (Murumuru, Tucuma, and Bacuri) were investigated, looking for more sustainable alternatives to the mostly used industrial fats, for applications in product formulation. Fatty acid (FA) and triacylglycerol composition, nutritional indexes, solid fat content (SFC), compatibility, consistency, melting, and crystallization profiles were determined. Soybean oil increased blends' unsaturated FA profile, leading to lower SFC, but higher nutritional quality. Fats' melting profiles were significantly altered with soybean oil addition: temperatures decreased with the increase in oil content. Iso-solids diagrams showed that lipids were compatible, which is a technological advantage. SFC and consistency profiles suggested that tucuma and murumuru fats could be used as hardstocks for lipid products, and bacuri fat could be applied in products such as margarine and spreads. Blends could improve fats' spreadability and other technological properties, which is promising for applications in products formulation.

Physical Properties and Fat Bloom Stability of Compound Chocolates Made with Ternary Fat Blends of Cocoa Butter, 1,3-Dioleoyl-2-stearoyl-triacylglycerol-Fat, and Lauric-Based Cocoa Butter Substitute.

Compound chocolates made of lauric-acid-based cocoa butter substitute (CBS) and cocoa butter (CB) often exhibit serious fat blooms caused by phase separation and polymorphic transformation of CB and CBS triacylglycerols. Herein, we found that the fat bloom of CBS-based chocolates could be completely inhibited by adding fat containing 1,3-dioleoyl-2-stearoyl-triacylglycerol (OSO) to CBS/CB blends. Unlike the CBS/CB chocolates that presented fat blooms within 3 wk under isothermal storage at 15, 20, and 25°C and 15 wk under thermal thawing storage at 15-25°C , no fat blooms appeared in the CBS/CB/OSO compound chocolates under any storage condition up to 6 months. The following key factors are involved in the addition of the OSO fats: the (1) concentration ratio of CB/OSO should be 1/1 such that CB/OSO can form molecular compound crystals and (2) total amount of CB+OSO in the CBS/CB/OSO blends should reach 20%. The solid fat content, hardness, and crystallisation rate of the CBS/CB/OSO blend-based chocolate compound were confirmed to be suitable for chocolate production.

Component analysis of fat, oil and grease in wastewater: challenges and opportunities.

The presence of fat, oil and grease can lead to blockages in sewer lines, pumps, and treatment plant operations, thereby creating health risks and environmental hazards. These deposits primarily consist of fatty acids, triglycerides and soap, among other components. These three main components are hydrophobic and insoluble in water. The composition of FOG can vary significantly depending on the source, such as food service establishments, households, or industrial processes. Several analytical methods, such as chromatographic, gravimetric, chemical and spectroscopic analysis, are used to measure different FOG components. AOAC, Gerber and APHA are the most commonly utilized standardized analytical methods for measuring FOG components. The AOAC and Gerber methods, which use gas chromatography, tend to provide more accurate results compared to other methods. This can be attributed to GC's ability to measure individual fatty acids in FOG samples by separating and quantifying each compound based on its unique chemical properties, such as volatility, polarity and molecular weight. Similarly, high-performance liquid chromatography is capable of measuring glycerides by separating and quantifying them based on their polarity and molecular weight. This article delves into the challenge of accurately measuring FOG concentrations and evaluates various FOG measurement technologies. The study also discusses the need for standardized methods for FOG measurement, highlighting the importance of understanding FOG deposits and the performance of grease interceptors.

The impact of glycerol monostearate's similarity to fats and fatty acid composition of fats on fat crystallization, destabilization, and texture properties of ice cream.

BACKGROUND: Fat significantly affects the properties of ice cream. Prior studies have investigated the correlation between fat crystallization, fat destabilization, and ice cream quality. However, the role of fatty acid composition, the similarity between fat and emulsifier in these characteristics, and their impact on final product quality remains unclear. RESULTS: To investigate the influence of the fatty acid composition of fats, as well as their similarity to glycerol monostearate (GMS), on fat crystallization and destabilization during the aging and freezing stages, ice creams were formulated using a combination of two types of fats (coconut oil and palm olein) in five different ratios. In oil phases, decreased saturation of fatty acids (from 93.38% to 46.69%) and increased similarity to GMS (from 11.96% to 46.01%) caused a reduction in the maximum solid fat content. Moreover, the rise in unsaturated long-chain fatty acids (from 34.61% to 99.57%) and similarity to GMS enhanced the formation of rare and coarse fat crystals, leading to a sparse crystalline network. This, in turn, reduced the crystallization rate and the stiffness of the fat in emulsions. Assuming consistent overrun across all ice creams, the enhanced interactions between fat globules in ice cream improved its hardness, melting properties, and shrinkage. CONCLUSION: The crystalline properties of fat in emulsions were influenced by oil phases, impacting fat destabilization and ultimately enhancing the quality of ice cream. The present study offers valuable insights for the optimization of fat and monoglyceride fatty acid ester selection, with the potential to improve ice cream quality. © 2023 Society of Chemical Industry.

Sustainable emerging high-intensity sonication processing to enhance the protein bioactivity and bioavailability: An updated review.

High-intensity ultrasound (HIU) is considered one of the promising non-chemical eco-friendly techniques used in food processing. Recently (HIU) is known to enhance food quality, extraction of bioactive compounds and formulation of emulsions. Various foods are treated with ultrasound, including fats, bioactive compounds, and proteins. Regarding proteins, HIU induces acoustic cavitation and bubble formation, causing the unfolding and exposure of hydrophobic regions, resulting in functional, bioactive, and structural enhancement. This review briefly portrays the impact of HIU on the bioavailability and bioactive properties of proteins; the effect of HIU on protein allergenicity and anti-nutritional factors has also been discussed. HIU can enhance bioavailability and bioactive attributes in plants and animal-based proteins, such as antioxidant activity, antimicrobial activity, and peptide release. Moreover, numerous studies revealed that HIU treatment could enhance functional properties, increase the release of short-chain peptides, and decrease allergenicity. HIU could replace the chemical and heat treatments used to enhance protein bioactivity and digestibility; however, its applications are still on research and small scale, and its usage in industries is yet to be implemented.

Impact of composition and aeration on the migration of TAGs in sandwich type confectionery products.

A sandwich type confectionery product is made with a soft filling and a chocolate coating. The fats used for these two parts are generally different to provide specific organoleptic sensations. Thus, their compositions, in terms of the triacylglycerols (TAGs) profile, are different. Depending on the ambient temperature conditions, the chemical potential gradient at the interface for TAGs, and the microstructures in the bulk of two parts, the migration of TAGs is influenced. We have studied the impact of different filling recipes on the migration of specific TAGs from the filling to the coating and vice versa with a newly developed tool, referred to as lipstick method. Also, the influence of the micro-aeration of the filling on the transfer process is evaluated. Furthermore, Fick's law of diffusion-based model is developed. The migration of TAGs as predicted by the model is compared to the experimental measurements, and limitations of the model are discussed. This approach can be used to tune the recipes of coating and filling to enhance the shelf-life stability of such products while delivering on specific liking attributes of taste.

Physical and chemical characteristics of fat, oil and grease deposits in Chinese kitchen drainage systems.

The blockage of kitchen pipes seriously affects people's normal life. Minimal research is reported on fat, oil and grease (FOG) deposits in kitchen drainage pipes in China. In this study, 16 collected kitchen pipe deposits from various pipe materials are tested using physical and chemical methods. Experimental results show that samples have rough surfaces with porosity between 7 and 20% and appear as milky white lumps with moisture content less than 30% and the density is less than 1.000 g/cm3. Larger diameter of pipes can short blockage period. The oil content varies in deposits. The frequency of restaurants using oil is eight times higher than the family kitchen and the number of oil using is four times. The types of all free fatty acids in the samples are C14-C20, and the content of C16H32O2 is the highest. The highest metal content in the sample is calcium ion, up to 605.036 mg/L. Not only samples have a discontinuity formation process, but also characteristic absorption spectrum between 1300 and 1420, 1550 and 1610 and 1745 cm-1 also draws that saponification reaction occurs during the formation of these samples. The composition and formation rules of FOG deposits analysed can provide reference to prevent and remove blockages in the pipes and develop the kitchen drainage system in China.

Enzymatic Interesterification of Vegetable Oil:A Review on Physicochemical and Functional Properties, and Its Health Effects.

In recent years, scientists and technologists have become increasingly interested in producing modified lipids with enhanced nutritional and functional properties. The application and functional properties of fats and oil depend on the composition and structure of triacylglycerols (TAG). As a result, lipid TAG changes can be used to synthesize tailored lipids with a broader range of applications. However, no natural edible oil is available with appropriate dietary and functional properties to meet the human recommended dietary allowances (RDA). On the other hand, the arising health concern is the transfat consumption produced during the chemical modification of vegetable oil through the partial hydrogenation process. Therefore, innovative technologies are shifting toward modifying fat and oil to improve their functionality. Enzymatic interesterification (EIE) is one of the emerging and novel technology to modify the technological traits of naturally available edible oil. It helps in modifying physicochemical, functional, oxidative, and nutritional characteristics of fats and oil due to the rearrangement of the fatty acid positions in the glycerol backbone after interesterification. Enzymatic interesterification utilizes lipase as a biocatalyst with specificity and selectivity to produce desired lipids. Alternation in the molecular structure of triacylglycerol results in changes in melting/dropping point, thermal properties, crystallization behavior, solid fat content, and oxidative stability. Because of its high acyl exchange reaction efficiency, simple reaction process, flexibility, eco-friendly, and generation of fewer by-products, (EIE) is gaining more attention as a substitute lipid modification approach. This review paper discusses the uses of EIE in developing modified fat with desirable physicochemical and nutritional properties. EIE is one of the potential techniques to modify vegetable oil's physicochemical, functional, and nutritional characteristics without producing any undesirable reaction products. EIE produces different modified lipids such as trans fat-free margarine, plastic fat, bakery, confectionery fat, therapeutic oil, infant food, cocoa butter substitute, and equivalent.

Understanding the properties of fat, oil, and grease and their removal using grease interceptors.

Treatment of wastewater with high levels of fat, oil, and grease (FOG), produced by the growing number (annually 2%) of food service establishments (FSEs), is a major concern for water utilities. About 30-40% of sewer blockages are caused primarily by the formation of FOG deposits in sewer pipes, and an annual additional maintenance cost is required for sewer management. To manage FOG deposition, FSEs are required to recover the FOG at the point of generation by installing grease interceptors (GIs) before release to the sewer system. The successful control of FOG deposition is largely dependent on clear understanding of its complex properties, pre-treatment processes, deposition mechanism and public awareness. The objective of this study is to provide a comprehensive understanding of the physicochemical properties of FOG, including particle size distribution and their removal efficiencies by existing GIs. Nowadays, generation of FOG particles of ≤45 µm is increasing because of the increasing use of automatic dishwashers. Current hybrid processes which comprise pre-treatment prior to GI use are ineffective since they are unable to completely remove particle sizes of ≤45 µm. Hence, there is potential for these particles to be released into the sewer system and eventually cause blockages. This critical review discusses the characteristics of effluents, including the particle size distributions generated from automatic dishwashers and handwash sinks. It concludes by providing some case studies and a perspective of the future opportunities to develop a novel GI process integrated with pre-treatment to remove particles of all sizes, including colloidal particles.

The role of restaurant wastewater for producing bioenergy towards a circular bioeconomy: A review on composition, environmental impacts, and sustainable integrated management.

Population inflation has led to the unprecedented increase in urbanization, thus causing negative impacts on environmental sustainability. Recently, there is an upsurge in the number of restaurants due to the changing lifestyles of the people round the globe. For instance, there were 167,490 food and beverage establishments in 2015, representing an annual growth rate of 5.1% since 2010 in Malaysia. The rapid growth of restaurants has implicated a negative impact due to the generation of highly polluted restaurant wastewater (RWW). RWW is mainly generated during the cooking, washing, and cleaning operations. RWW typically contain fat, oil, and grease (FOG) resulting from residues of meat, deep-fried food, baked items and butter, and has caused serious blockages of sewer due to clogging and eventually sewage backup. This has increased the required frequency of cleaning and sanitary sewer overflows (SSOs). Results from the previous studies have shown that FOG can be treated using physical, chemical, and biological processes. Different technologies have been applied for the treatment of FOG and other pollutants (COD, BOD, SS and NH4-N) present in RWW. Therefore, this review aims to provide an in-depth understanding of the characteristics of RWW, chemical and physical characteristics of FOG with the mechanism of its formation and utilization for biocomposites, biogas and biodiesel productions for circular bioeconomy. Besides, this review has discussed the potential treatment technologies comprehensively for RWW which is currently remain understudied. Integrated sustainable management of FOG with technoeconomic analysis of bioproducts, sustainable management with international initiatives and previous studies are also summarized. Hence, this review aims towards providing better alternatives in managing RWW at sources, including its treatment and potential of its biorefinery, therefore eventually contributing towards environmental sustainability.

Temperature-dependent properties of fat in adipose tissue from pork, beef and lamb. Part 1: microstructural, thermal, and spectroscopic characterisation.

We investigated the temperature-dependent microstructure and thermal properties of back fat adipose tissue from pork, beef and lamb. Microstructural characterisation via electron, confocal and light microscopy showed that the back fats were structurally similar and consisted of fat dispersed as discrete units within a protein matrix akin to a closed cell foam. Differential scanning calorimetry showed distinct fat melting profiles for each of the tissues, which were ascribed to differences in fatty acid profile. Fat crystal organisation, melting and re-solidification signatures unique to each adipose tissue were found via X-ray diffraction and Raman spectroscopy. Overall, we found that the temperature-dependent microstructure of adipose fat was intricately linked to the fat phase melting behaviour, and importantly, to its protein matrix at elevated temperatures. Such understanding is necessary to provide the required insights to effectively replicate the functionality of adipose tissue using plant-based materials.

Temperature-dependent properties of fat in adipose tissue from pork, beef and lamb. Part 2: rheology and texture.

Matching the texture of fat in plant-based meat alternatives requires an in-depth understanding of the rheology of animal adipose tissue which, to-date, remains under-studied. Here, we characterised the small and large deformation behaviour of back fat from pork, beef, and lamb, with the underlying goal being the establishment of the temperature-dependent structure-function relationship governing the texture and rheology of adipose tissue. The dynamic rheological behaviour of the back fats was characterised via frequency and amplitude sweeps and large amplitude oscillatory strain (LAOS), as well as texture analysis via puncture tests. At 20 °C, prior to heating, the small and large deformation properties of adipose tissue were dominated by the solid fat phase within the adipose cells. Upon heating to 80 °C, with the fat phase molten, the protein network underpinning the structure of the back fats conferred elastic behaviour to the tissues, and the now-molten oil partly leaked from the adipocytes into the surrounding interstitial space. Upon re-cooling, a bicontinuous network of fat crystals and protein contributed to back fat rheology. Large deformation rheology revealed animal species-specific differences. Prior to heating, pork back fat was characterised by soft yielding behaviour while beef and lamb back fat showed abrupt yielding and intra-cycle strain stiffening. Post-heating, lamb showed the highest stiffness, compared to pork and beef, as well as non-linearities in its stress-strain relationship obtained via LAOS. Such fundamental understanding is essential to provide the required insights to replicate the functionality of adipose tissue using plant-based materials.

Evolution Analysis of Free Fatty Acids and Aroma-Active Compounds during Tallow Oxidation.

To explore the role of fatty acids as flavor precursors in the flavor of oxidized tallow, the volatile flavor compounds and free fatty acid (FFAs) in the four oxidization stages of tallow were analyzed via gas chromatography (GC)-mass spectrometry (MS), the aroma characteristics of them were analyzed by GC-olfactory (GC-O) method combined with sensory analysis and partial least-squares regression (PLSR) analysis. 12 common FFAs and 35 key aroma-active compounds were obtained. Combined with the results of odor activity value (OAV) and FD factor, benzaldehyde was found to be an important component in unoxidized tallow. (E,E)-2,4-Heptadienal, (E,E)-2,4-decadienal, (E)-2-nonenal, octanal, hexanoic acid, hexanal and (E)-2-heptenal were the key compounds involved in the tallow flavor oxidation. The changes in FFAs and volatile flavor compounds during oxidation and the metabolic evolution of key aroma-active compounds are systematically summarized in this study. The paper also provides considerable guidance in oxidation control and meat flavor product development.

Quality of Emulsions Based on Modified Watermelon Seed Oil, Stabilized with Orange Fibres.

The aim of the study was to evaluate emulsion systems prepared on the basis of blended fat in different ratios (watermelon seed oil and mutton tallow) stabilised by orange fibres and xanthan gum. Emulsions were subjected to stability testing by Turbiscan and were assessed in terms of mean droplet size, colour, viscosity, texture, skin hydration and sensory properties. The most stable systems were found to be the ones containing a predominance of mutton tallow in a fat phase. For these emulsions the lowest increase in mean particle size during storage was observed. The study also confirmed the synergistic effect of the thickeners used. The presented emulsions despite favourable physicochemical parameters, did not gain acceptance in sensory evaluation.

Water-in-Oil-in-Water Double Emulsions as Protective Carriers for Sambucus nigra L. Coloring Systems.

The use of natural colorants is needed to overcome consumer concerns regarding synthetic food colorants' safety. However, natural pigments have, in general, poor stability against environmental stresses such as temperature, ionic strength, moisture, light, and pH, among others. In this work, water-in-oil-in-water (W1/O/W2) emulsions were used as protective carriers to improve color stability of a hydrophilic Sambucus nigra L. extract against pH changes. The chemical system comprised water and corn oil as the aqueous and oil phases, respectively, and polyglycerol polyricinoleate (PGPR), Tween 80, and gum Arabic as stabilizers. The primary emulsion was prepared using a W1/O ratio of 40/60 (v/v). For the secondary emulsion, W1/O/W2, different (W1/O)/W2 ratios were tested with the 50/50 (v/v) formulation presenting the best stability, being selected as the coloring system to test in food matrices of different pH: natural yogurt (pH 4.65), rice drink (pH 6.01), cow milk (pH 6.47), and soy drink (pH 7.92). Compared to the direct use of the extract, the double emulsion solution gave rise to higher color stability with pH change and storage time, as corroborated by visual and statistical analysis.

Beef tallow injection matrix for serial crystallography.

Serial crystallography (SX) enables the visualization of the time-resolved molecular dynamics of macromolecular structures at room temperature while minimizing radiation damage. In SX experiments, the delivery of a large number of crystals into an X-ray interaction point in a serial and stable manner is key. Sample delivery using viscous medium maintains the stable injection stream at low flow rates, markedly reducing sample consumption compared with that of a liquid jet injector and is widely applied in SX experiments with low repetition rates. As the sample properties and experimental environment can affect the stability of the injection stream of a viscous medium, it is important to develop sample delivery media with various characteristics to optimize the experimental environment. In this study, a beef tallow injection matrix possessing a higher melting temperature than previously reported fat-based shortening and lard media was introduced as a sample delivery medium and applied to SX. Beef tallow was prepared by heat treating fats from cattle, followed by the removal of soluble impurities from the extract by phase separation. Beef tallow exhibited a very stable injection stream at room temperature and a flow rate of < 10 nL/min. The room-temperature structures of lysozyme and glucose isomerase embedded in beef tallow were successfully determined at 1.55 and 1.60 Å, respectively. The background scattering of beef tallow was higher than that of previously reported fat-based shortening and lard media but negligible for data processing. In conclusion, the beef tallow matrix can be employed for sample delivery in SX experiments conducted at temperatures exceeding room temperature.

Direct Enzymatic Synthesis of Fatty Amines from Renewable Triglycerides and Oils.

Fatty amines represent an important class of commodity chemicals which have broad applicability in different industries. The synthesis of fatty amines starts from renewable sources such as vegetable oils or animal fats, but the process has multiple drawbacks that compromise the overall effectiveness and efficiency of the synthesis. Herein, we report a proof-of-concept biocatalytic alternative towards the synthesis of primary fatty amines from renewable triglycerides and oils. By coupling a lipase with a carboxylic acid reductase (CAR) and a transaminase (TA), we have accomplished the direct synthesis of multiple medium and long chain primary fatty amines in one pot with analytical yields as high as 97 %. We have also performed a 75 mL preparative scale reaction for the synthesis of laurylamine from trilaurin, obtaining 73 % isolated yield.

Investigation of dysregulated lipid metabolism in diabetic mice via targeted metabolomics of bile acids in enterohepatic circulation.

RATIONALE: The mechanism of lipid metabolism disorder in type 2 diabetes (T2DM) remains unclear. This study aimed to reveal the mechanism underlying dysregulated lipid metabolism in T2DM through bile acid metabolism. METHODS: A db/db mouse model was employed to investigate the alteration of bile acid profiles in T2DM. Ultrahigh-performance liquid chromatography with tandem mass spectrometry was used to quantify the detailed bile acid levels in each compartment of enterohepatic circulation. The pathological change of mouse liver was assessed by liver histology and serum biochemical assays. The expression level of bile acid-related transporters and synthases was measured with Western blot analysis. RESULTS: The results showed that T2DM can result in severe liver fat accumulation and liver damage. In addition, compared to the control group, in T2DM mice, bile acid synthesis is reduced, while the level of bile acids is increased at the storage sites and the reabsorption sites, but there are subtle gender differences. Further, the ratio of conjugated bile acids in total bile acid in the liver of T2DM mice increased significantly relative to the control group for both female and male mice. CONCLUSIONS: In T2DM, bile acid metabolism is disordered in both male and female mice, which could be the underlying mechanism of dysregulated lipid metabolism in T2DM.