ABSTRACT
Plant-based protein is considered a sustainable protein source and has increased in demand recently. However, products containing plant-based proteins require further modification to achieve the desired functionalities akin to those present in animal protein products. This study aimed to investigate the effects of enzymes as cross-linking reagents on the physicochemical and functional properties of hybrid plant- and animal-based proteins in which lupin and whey proteins were chosen as representatives, respectively. They were hybridised through enzymatic cross-linking using two laccases (laccase R, derived from Rhus vernicifera and laccase T, derived from Trametes versicolor) and transglutaminase (TG). The cross-linking experiments were conducted by mixing aqueous solutions of lupin flour and whey protein concentrate powder in a ratio of 1:1 of protein content under the conditions of pH 7, 40 °C for 20 h and in the presence of laccase T, laccase R, or TG. The cross-linked mixtures were freeze-dried, and the powders obtained were assessed for their cross-linking pattern, colour, charge distribution (ζ-potential), particle size, thermal stability, morphology, solubility, foaming and emulsifying properties, and total amino acid content. The findings showed that cross-linking with laccase R significantly improved the protein solubility, emulsion stability and foaming ability of the mixture, whereas these functionalities were lower in the TG-treated mixture due to extensive cross-linking. Furthermore, the mixture treated with laccase T turned brownish in colour and showed a decrease in total amino acid content which could be due to the enzyme's oxidative cross-linking mechanism. Also, the occurrence of cross-linking in the lupin and whey mixture was indicated by changes in other investigated parameters such as particle size, ζ-potential, etc., as compared to the control samples. The obtained results suggested that enzymatic cross-linking, depending on the type of enzyme used, could impact the physicochemical and functional properties of hybrid plant- and animal-based proteins, potentially influencing their applications in food.
ABSTRACT
Faba bean is a promising source of ingredients for the production of meat analogs. However, sensory properties of faba bean, especially the bitter taste of the protein concentrate, restrict its use. Our aim was to assess the feasibility of two types of faba bean ingredients-flour (from germinated, gently heat-treated beans) and groat (from non-germinated, roasted beans)-in combination with pea protein isolate and oat fiber concentrate for producing meat analogs using high-moisture extrusion. We produced six samples using varying recipes, while maintaining constant process parameters. An untrained panel (55 participants) evaluated the samples for key sensory attributes (check-all-that-apply) and rated their pleasantness. The water absorption capacity and mechanical properties of the samples were assessed using instrumental measurements. The samples were frequently described as 'beany' and 'tasteless', but very rarely as 'bitter'. The most frequently cited attributes for mouthfeel varied between the samples containing 30% ('tough', 'gummy') and 50% ('crumbly', 'floury') of faba bean flour/groat and were associated with corresponding mechanical properties. On average, the sample containing a blend of faba bean groat and pea protein isolate (50% each) appeared to be the most pleasant. Our results suggest that faba bean groat with pea protein isolate enables the production of fibrous meat analogs with acceptable taste and texture, without the bitter off-taste.
ABSTRACT
Legumes have been recognised as healthy and environmentally friendly protein sources. Knowledge about the vitamin B contents in legume ingredients and extrudates is scarce. In this study, we investigated thiamin, riboflavin, niacin, and folate in various faba bean, lupin, and pea ingredients. Further, the retention of B vitamins in high moisture extrusion was studied. Prior to liquid chromatographic determinations of thiamin, riboflavin, niacin, and folate, vitamins were extracted by acid hydrolysis (niacin), enzymatic treatment (folate), or their combination (thiamin and riboflavin). The contents (on a dry matter basis) varied greatly among different ingredients: the thiamin content was 0.2-14.2 µg/g; riboflavin, 0.3-5.9 µg/g; niacin, 8.8-35.5 µg/g, and folate, 45-1453 ng/g. Generally, the highest levels were in flours and protein concentrates, whereas low levels were observed in isolates. The retention of B vitamins was excellent in high moisture extrusion, except for folate in faba bean, where the folate contents were 42-67% lower in the extrudates than in the respective ingredient mixtures. In terms of both vitamin B contents and their retention, extrudates containing substantial amounts of flour or protein concentrate are promising plant-based sources of thiamin, riboflavin, niacin, and folate.
ABSTRACT
Faba bean, processed into ingredients (flour, protein concentrate, protein isolate), can be extruded to meat alternatives with a fibrous texture. Despite its importance for consumer acceptance, not enough is known about the flavor of faba bean ingredients nor about the chemical and sensory changes caused by high-moisture extrusion. Therefore, the aim of this work was to describe the flavor of faba bean ingredients and the corresponding extrudates and to understand how their composition affects the perception of sensory attributes. Firstly, faba bean protein ingredients and extrudates were characterized for lipid-degrading enzymatic activities, flavor precursors, and volatile and non-volatile flavor-active compounds. Secondly, sensory profiling was conducted. Thirdly, partial least squares regression was applied to understand the relationship between chemical and sensory data. This study showed that faba bean protein concentrate had the strongest taste and aftertaste (respectively 7 and 6, on a 0-10 intensity scale), bitterness (6-7), and pea flavor and odor (respectively 6 and 5), whereas faba bean protein isolate had the strongest cereal flavor (4) and odor (4), and off-flavor (2) and off-odor (3). Faba bean flour had the mildest flavor. High-moisture extrusion brought several chemical changes to the ingredients, including the formation of several volatile compounds and inactivation of lipid-degrading enzymes. Only traces of tannins were found in extrudates. The presence of free phenolics, vicine, and convicine was linked to strong taste and aftertaste, bitterness, and a drying sensation of the mouth, whereas lipid oxidation products were related to pea, cereal, and off-odors and flavors.
Subject(s)
Vicia faba , Taste , Pharmaceutical Vehicles , Flour , Edible Grain , LipidsABSTRACT
Faba bean is a potential ingredient due to its high protein yield and its possible cultivation in colder climate regions. In this study, meat analogues made from faba bean protein isolate (FPI) and concentrate (FPC) blends were produced using high moisture extrusion. The aim of this study was to investigate the effect of the FPI content (FPIc), feed water content (FWC), and temperature of the long cooling die (LT) during extrusion on the mechanical and physicochemical properties as well as on the structure of the meat analogues. Increased FPIc resulted in higher values in hardness, gumminess, chewiness, and cutting strengths as well as in darker colour and decreased water absorption capacity. The effect of increased FWC on these properties was weaker and the opposite. Images from microtomography revealed that higher FPIc led to a less organised fibrous structure. In conclusion, fibrous structures can be achieved by utilising a mixture of faba bean protein ingredients, and a higher FPC content seemed to promote fibre formation in the meat analogue.
ABSTRACT
Demand for plant-based meat alternatives has increased in recent years due to concerns about health, ethics, the environment, and animal welfare. Nevertheless, the market share of plant-based meat alternatives must increase significantly if they are to support sustainable food production and consumption. Flavor is an important limiting factor of the acceptability and marketability of plant-based meat alternatives. Undesirable chemosensory perceptions, such as a beany flavor, bitter taste, and astringency, are often associated with plant proteins and products that use them. This study reviewed 276 articles to answer the following five research questions: (1) What are the volatile and nonvolatile compounds responsible for off-flavors? (2) What are the mechanisms by which these flavor compounds are generated? (3) What is the influence of thermal extrusion cooking (the primary structuring technique to transform plant proteins into fibrous products that resemble meat in texture) on the flavor characteristics of plant proteins? (4) What techniques are used in measuring the flavor properties of plant-based proteins and products? (5) What strategies can be used to reduce off-flavors and improve the sensory appeal of plant-based meat alternatives? This article comprehensively discusses, for the first time, the flavor issues of plant-based meat alternatives and the technologies available to improve flavor and, ultimately, acceptability.
Subject(s)
Meat , Taste , Animal Welfare , Animals , Cooking , Meat/analysis , Plant ProteinsABSTRACT
Millennials are considered the key generation with regard to the consumption of plant-based meat alternatives via flexitarianism. This study sought to characterize millennials' consumer segments based on their consumption of and attitudes toward meat and meat alternatives. We conducted an online survey on the hedonic tones of the associations evoked by meat and meat alternatives, consumption of such foods, and diet-related attitudes among a representative sample of Finnish millennials (N = 546, 59% women, age 20-39 years). Some 41% of respondents regularly ate plant-based meat alternatives, while 43% had tried such foods. We divided the respondents into six segments based on the hedonic tones of their meat vs. meat alternatives associations. The segments differed in terms of their consumption of meat alternatives and the underlying reasons why, importance of meat in meals, and Meat Commitment Scale scores. The segment that reported much more positive associations with meat than meat alternatives (~14% of the respondents) may prove resistant to interventions intended to reduce meat intake, whereas the segment that displayed the most positive attitudes toward meat alternatives (~18%) did not eat much meat. Thus, the four middle segments (totaling ~68%), whose associations' hedonic tones were close to each other, may be the best targets for future interventions designed to reduce meat consumption through the use of meat alternatives. To conclude, introducing a simple segmentation allowed us to identify consumer segments with large potential to reduce meat consumption.
ABSTRACT
The bioaccessibility of vitamin B12 (B12) in plant-based products fortified using wheat bran extract fermented with B12-producing food-grade Propionibacterium freudenreichii was studied by applying a standard static in vitro model. At first, a culture of P. freudenreichii, fresh or heat-treated, was subjected to in vitro assays. Then, food ingredients or products were evaluated for their in vitro bioaccessibility: spray-dried wheat bran extract powder, pasta made with an extruder using fermented bran extract and breads made with spray-dried powder or with added cyanocobalamin. B12 bioaccessibility from the fresh P. freudenreichii culture was only ca. 53%, which, when heated, increased to 73%. The bioaccessibility of B12 from the food products varied from 75% (spray-dried powder) to 95% (breads). B12 from the fortified bread was as bioaccessible as from the bread made with added cyanocobalamin (99%). The in vitro results suggest that B12 synthesized by P. freudenreichii, when fortified in the studied cereal-based products, is largely bioaccessible and could be available for absorption. Plant-based products fortified using fermentation with P. freudenreichii could thus be considered excellent sources of bioaccessible B12.
ABSTRACT
Increased ultraviolet-B (UV-B) due to global change can affect plant development and metabolism. Quinoa tolerates extreme conditions including high UV levels. However, the physiological mechanisms behind its abiotic stress tolerance are unclear, especially those related to UV-B. We previously demonstrated that 9.12 kJ m-2 d-1 may induce UV-B-specific signaling while 18.24 kJ m-2 d-1 promotes a UV-B-independent response. Here, we explored the effects of these UV-B doses on hormonal regulation linked to plant morphology and defense among diverse varieties. Changes in fluorescence parameters of photosystem II, flavonoids and hormones (indoleacetic acid (IAA), jasmonic acid (JA), abscisic acid (ABA) and salicylic acid (SA)) were surveyed under controlled conditions. Here, we showed that the sensitivity to short acute UV-B doses in varieties from different habitats is influenced by their parental lines and breeding time. UV-B sensitivity does not necessarily correlate with quinoa's geographical distribution. The role of flavonoids in the UV-B response seems to be different depending on varieties. Moreover, we found that the extent of changes in JA and SA correlate with UV-B tolerance, while the increase of ABA was mainly related to UV-B stress.
ABSTRACT
Quinoa epitomizes the drive for healthier foods with ethnic concepts in developed countries, particularly among millennials. As a result, the popularity of quinoa as a gluten-free alternative has steadily grown over the last 20 years. Despite this, little is known about the impact of specific varieties on processed foods. The purpose of this study was to examine the impact of quinoa varieties (variety and content) on the mechanical and textural properties of buckwheat-based extruded pasta (spaghetti). Peruvian native (var. rosada taraco, kuchivila, negra collana, and mistura) and Latvian-grown (var. titicaca) varieties were independently incorporated to pasta between 5 and 20% (w/w). Pasta containing 20% quinoa var. negra collana, which presented the largest content of fiber and lowest content of saponin, was strongly associated to structural resilience (i.e., cohesiveness, firmness). Conversely, pasta containing 20% quinoa var. Titicaca appeared structurally weak (i.e., smooth). The addition of saponin-containing varieties to pasta (20%), such as rosada taraco and mistura, resulted in resilient structures with little effect on taste (incl. bitterness). Despite initial stability, pasta containing 20% quinoa var. kuchivila suffered heavy structural damage. In conclusion, the relationship of compositional, mechanical, and textural properties of pasta was strongly variety-dependent.
ABSTRACT
The encapsulation of eugenol (E) by spray-drying using whey protein (WP) or soy lecithin (LE) and maltodextrin in combination with oleic acid (OA) and chitosan (CH) was analysed in order to obtain antioxidant and antimicrobial powders for food applications. Formulations with only WP or LE showed higher encapsulation efficiencies (EE) (95-98%) and antibacterial effect against E. coli and L. innocua due to their greater E load. Incorporation of OA or CH promoted lower EE, which negatively affected the antimicrobial and antioxidant activities of the powders. Furthermore, the addition of CH implied less thermal protection against the E losses. The eugenol release was not notably affected by pH or polarity of the food simulant, but the release rate significantly decreased when incorporating OA and CH. The E-LE formulations better retained the eugenol than E-WP powders when heated above 200⯰C, this being relevant for the powder inclusion in thermally treated products.
Subject(s)
Anti-Infective Agents/chemistry , Antioxidants/chemistry , Desiccation/methods , Eugenol/chemistry , Lecithins/chemistry , Whey Proteins/chemistry , Anti-Infective Agents/pharmacology , Chitosan/chemistry , Drug Compounding , Escherichia coli/drug effects , Kinetics , Listeria/drug effects , Oleic Acid/chemistry , Polysaccharides/chemistryABSTRACT
Brewer's spent grain (BSG), a by-product of malting of barley in the production of malt extract, was used as an ingredient in extruded barley-based snacks in order to improve the nutritional value of the snacks and widen the applications of this by-product in food sector. The effects of the extrusion parameters on the selected properties of the snacks were studied. Snacks with different ingredients including whole grain barley flour, BSG, whey protein isolate (WPI), barley starch and waxy corn starch were produced in 5 separate trials using a co-rotating twin-screw extruder. Extrusion parameters were water content of the mass (17-23 %), screw speed (200-500 rpm) and temperature of the last section and die (110-150 °C). Expansion, hardness and water content of the snacks were determined. Snacks containing barley flour and BSG (10 % of solids) had small expansion and high hardness. Addition of WPI (20 % of solids) increased expansion only slightly. Snacks with high expansion and small hardness were obtained when part of the barley flour was replaced with starch (barley or waxy corn). Yet, the highest expansion and the smallest hardness were achieved when barley flour was used with barley starch and WPI without BSG. Furthermore, expansion increased by increasing screw speed and decreasing water content of the mass in most of the trials. This study showed that BSG is a suitable material for extruded snacks rich in dietary fiber. Physical properties of the snacks could be improved by using barley or waxy corn starch and WPI.
ABSTRACT
PURPOSE: To study how water plasticization affects the molecular mobility and crystallization tendency of freeze-dried trehalose, sucrose, melibiose and cellobiose. METHODS: Freeze-dried disaccharides were subjected to different relative humidity atmospheres and their physical stabilities were evaluated. Lyophilizate water sorption tendencies and glass transition temperatures were modeled using Brunauer-Emmett-Teller (BET) and Gordon-Taylor (GT) equations, respectively. Sucrose and cellobiose crystallization tendencies were compared by using the concept of reduced crystallization temperature (RCT), and the molecular mobilities of trehalose and melibiose were compared by measuring their T(1)H relaxation time constants. RESULTS: Based on the BET and GT models, water sorption tendency and the resulting plasticizing effect were different in sucrose when compared to the other disaccharides. Trehalose and melibiose exhibited generally slower crystallization rates when compared to sucrose and cellobiose. Amorphous melibiose was shown to be particularly stable within the studied water content range, which may have partly been caused by its relatively slow molecular mobility. CONCLUSIONS: Slow amorphous-to-crystalline transition rate is known to be important for lyoprotecting excipients when formulating a robust drug product. The physical stabilities of amorphous trehalose and melibiose even with relatively high water contents might make their use advantageous in this respect compared to sucrose and cellobiose.
Subject(s)
Disaccharides/chemistry , Plasticizers/chemistry , Water/chemistry , Absorption , Crystallization , Drug Storage , Freeze Drying/methods , Humidity , Transition TemperatureABSTRACT
PURPOSE: The purpose of this study is to show how disaccharides differ in their ability to protect lyophilized ß-galactosidase from enzymatic activity loss and secondary structure changes during storage. METHODS: ß-galactosidase was lyophilized with trehalose, sucrose, cellobiose or melibiose at 2:1, 20:1 and 40:1 excipient/protein weight ratios, and stored up to 90 days at 45 °C. Protein enzymatic activity was studied using o-nitrophenyl-ß-D-galactopyranoside cleavage test, and its secondary structure in lyophilizates analyzed using Fourier transform infrared spectroscopy. The crystallization tendencies, glass transition temperatures and water contents of lyophilizates were evaluated using x-ray powder diffractometry, differential scanning calorimetry and thermogravimetry, respectively. RESULTS: The enzymatic activity of ß-galactosidase decreased more slowly in lyophilizates containing trehalose or melibiose at 2:1 excipient/protein weight ratio when compared to those containing sucrose or cellobiose. Similar behavior was observed when analyzing the protein's secondary structure in lyophilizates. In 20:1 and 40:1 excipient/protein weight ratio lyophilizates the decrease of enzymatic activity was less dependent on the excipient, but activity was always amongst the highest in melibiose lyophilizates. CONCLUSIONS: Melibiose was shown to be effective in protecting lyophilized ß-galactosidase during storage. The protein secondary structure was shown to change at comparable rate in lyophilizates as its enzymatic activity after rehydration.
Subject(s)
Disaccharides/pharmacology , beta-Galactosidase/antagonists & inhibitors , beta-Galactosidase/chemistry , Crystallization , Drug Storage , Enzyme Activation/drug effects , Enzyme Activation/physiology , Enzyme Inhibitors/pharmacology , Freeze Drying/methods , Protein Structure, Secondary , beta-Galactosidase/metabolismABSTRACT
In the present study, microencapsulation and the physical properties of spruce ( Picea abies ) Omicron-acetyl-galactoglucomannans (GGM) were investigated and compared to those of arabic gum (AG). Microcapsules were obtained by freeze-drying oil-in-water emulsions containing 10 wt % capsule materials (AG, GGM, or a 1:1 mixture of GGM-AG) and 2 wt % alpha-tocopherol (a model hydrophobic core compound that oxidizes easily). Microcapsules were stored at relative humidity (RH) of 0, 33, and 66% at 25 degrees C for different time periods, and their alpha-tocopherol content was determined by HPLC. X-ray microtomography analyses showed that the freeze-dried emulsions of GGM had the highest and those of AG the lowest degree of porosity. According to X-ray diffraction patterns, both freeze-dried AG and GGM showed an amorphous nature. The storage test showed that anhydrous AG microcapsules had higher alpha-tocopherol content than GGM-containing capsules, whereas under 33 and 66% RH conditions GGM was superior in relation to the retention of alpha-tocopherol. The good protection ability of GGM was related to its ability to form thicker walls to microcapsules and better physical stability compared to AG. The glass transition temperature of AG was close to the storage temperature (25 degrees C) at RH of 66%, which explains the remarkable losses of alpha-tocopherol in the microcapsules under those conditions.
Subject(s)
Gum Arabic/chemistry , Mannans/chemistry , Picea/chemistry , alpha-Tocopherol/chemistry , Capsules/chemistry , Drug Compounding , Drug Stability , Hydrophobic and Hydrophilic Interactions , Porosity , TemperatureABSTRACT
Cloudberries ( Rubus chamaemorus ) contain phenolics (mainly ellagitannins), which have recently been related to many valuable bioactivity properties. In general, phenolics are known to react readily with various components, which may create an obstacle in producing stable functional components for food and pharmaceutical purposes. In this study, the aim was to improve the storage stability of cloudberry phenolic extract by microencapsulation. The phenolic-rich cloudberry extract was encapsulated in maltodextrins DE5-8 and DE18.5 by freeze-drying. Water sorption properties and glass transition temperatures (T(g)) of microcapsules and maltodextrins were determined. Microcapsules together with unencapsulated cloudberry extract were stored at different relative vapor pressures (0, 33, and 66% RVP) at 25 degrees C for 64 days, and storage stability was evaluated by analyzing phenolic content and antioxidant activity. Compared to maltodextrin DE18.5, maltodextrin DE5-8 had not only higher encapsulation yield and efficiency but also offered better protection for phenolics during storage. Without encapsulation the storage stability of cloudberry phenolics was weaker with higher storage RVP. Microencapsulation improved the storage stability of cloudberry phenolics. The physical state of microcapsules did not have a significant role in the stability of cloudberry phenolics because phenolic losses were observed also in amorphous glassy materials. The antioxidant activity of the microencapsulated cloudberry extract remained the same or even improved slightly during storage, which may be related to the changes in phenolic profiles.
Subject(s)
Drug Compounding/methods , Drug Storage/methods , Phenols/chemistry , Rosaceae/chemistry , Capsules/chemistry , Drug Stability , Polysaccharides/chemistryABSTRACT
The present study investigated the amylose content and the gelatinization properties of various potato starches extracted from different potato cultivars. These potato starches were used to prepare edible films. Physical and mechanical properties of the films were investigated. The crystallinity of selected native starches and edible films made of the same starches were determined by X-ray diffraction. The amylose content of potato starches varied between 11.9 and 20.1%. Gelatinization of potato starches in excess water occurred at temperatures ranging from 58 to 69 degrees C independently of the amylose content. The relative crystallinity was found to be around 10-13% in selected native potato starches with low, medium, and high amylose content. Instead, films prepared from the same potato starches were found to be practically amorphous having the relative crystallinity of 0-4%. The mechanical properties and the water vapor permeability of the films were found to be independent of the amylose content.
Subject(s)
Amylose/analysis , Amylose/chemistry , Solanum tuberosum/chemistry , Biomechanical Phenomena/methods , Chemical Phenomena , Chemistry, Physical , Crystallization , Starch/analysis , Starch/chemistryABSTRACT
The purpose of this study was to characterise physically stable amorphous blends that were sticky (low glass transition temperature) in ambient conditions. The effects of composition, melting time and melting temperature were evaluated with respect to physical and chemical property. Citric acid anhydrate and paracetamol were melt-quenched as binary mixtures and as pure materials. Bulk samples were characterised by differential scanning calorimetry, X-ray powder diffractometry, and Raman and Fourier transform infrared spectroscopy. The composition and the sample exposure to moisture affected significantly the physical stability of samples. The extreme melting conditions, coupled with long exposure to heat and a high melting temperature, lowered the overall crystallisation rate. Paracetamol had a stronger tendency to crystallise from the blends than did citric acid. The 50:50% (w/w) blend was physically stable for at least 27 weeks in dry conditions and was partly crystalline after 4 weeks of storage at a relative humidity of 43%. The result of the physical stability of blends is discussed in terms of hydrogen bonding interaction between paracetamol and citric acid and in relation to degradation products formed in a mixing state.
Subject(s)
Acetaminophen/chemistry , Citric Acid/chemistry , Drug Stability , Calorimetry, Differential Scanning , Chemistry, Pharmaceutical , Crystallization , Drug Combinations , Humidity , Hydrogen Bonding , Spectrum Analysis , Transition Temperature , X-Ray DiffractionABSTRACT
The amorphous state has different chemical and physical properties compared with a crystalline one. Amorphous regions in an otherwise crystalline material can affect the bioavailability and the processability. On the other hand, crystalline material can function as nuclei and decrease the stability of an amorphous system. The aim of this study was to determine amorphous content in a pharmaceutical process environment using near infrared (NIR) and Raman spectroscopic techniques together with multivariate modelling tools. Milling was used as a model system for process-induced amorphization of a crystalline starting material, alpha-lactose monohydrate. In addition, the crystallization of amorphous material was studied by storing amorphous material, either amorphous lactose or trehalose, at high relative humidity conditions. The results show that both of the spectroscopic techniques combined with multivariate methods could be applied for quantitation. Preprocessing, as well as the sampling area, was found to affect the performance of the models. Standard normal variate (SNV) transformation was the best preprocessing approach and increasing the sampling area was found to improve the models. The root mean square error of prediction (RMSEP) for quantitation of amorphous lactose using NIR spectroscopy was 2.7%, when a measuring setup with a larger sampling area was used. When the sampling area was smaller, the RMSEPs for lactose and trehalose were 4.3% and 4.2%, respectively. For Raman spectroscopy, the RMSEPs were 2.3% and 2.5% for lactose and trehalose, respectively. However, for the optimal performance of a multivariate model, all the physical forms present, as well as the process environment itself, have to be taken into consideration.
Subject(s)
Chemistry, Pharmaceutical/methods , Lactose/chemistry , Spectroscopy, Near-Infrared , Spectrum Analysis, Raman , Crystallization , Drug Compounding , Multivariate Analysis , Powder Diffraction , Powders/chemistry , Trehalose/chemistry , X-Ray DiffractionABSTRACT
A thorough understanding of solid state properties is of growing importance. It is often necessary to apply multiple techniques offering complementary information to fully understand the solid state behavior of a given compound and the relations between various polymorphic forms. The vast amount of information generated can be overwhelming and the need for more effective data analysis tools is well recognized. The aim of this study was to investigate the use of multivariate data analysis, in particular principal component analysis (PCA), for fast analysis of solid state information. The data sets analyzed covered dehydration phenomena of a set of hydrates followed by variable temperature X-ray powder diffractometry and Raman spectroscopy and the crystallization of amorphous lactose monitored by Raman spectroscopy. Identification of different transitional states upon the dehydration enabled the molecular level interpretation of the structural changes related to the loss of water, as well as interpretation of the phenomena related to the crystallization. The critical temperatures or critical time points were identified easily using the principal component analysis. The variables (diffraction angles or wavenumbers) that changed could be identified by the careful interpretation of the loadings plots. The PCA approach provides an effective tool for fast screening of solid state information.