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The intricate relationships between chemical compounds and sensory descriptors in distilled spirits have long intrigued distillers, sensory experts, and consumers alike. The importance and complexity of this relation affect the production, quality, and appreciation of spirits, and the success of a product. Because of that, profoundly investigating the different flavor and aroma combinations that the chemical compounds can give to a desired beverage takes an essential place in the industry. This study aims to study these relationships by employing machine learning techniques to analyze a comprehensive dataset with 3051 chemical compounds and their associated aroma descriptors for seven distilled spirit categories: Baijiu, cachaça, gin, mezcal, rum, tequila, and whisk(e)y. The study uses principal component analysis (PCA) to reduce the dimensionality of the dataset and a clustering machine learning model to identify distinct clusters of aroma descriptors associated with each beverage category. Based on these results, an aroma wheel that encapsulates the diverse olfactory landscapes of various distilled spirits was developed. This flavor wheel is a valuable tool for distillers, sensory experts, and consumers, providing a comprehensive reference for understanding and appreciating the complexities of distilled spirits. [ABSTRACT FROM AUTHOR]

Silene viscidula Franch is mainly produced in southwest China. The region has a vast area and rich climate, which has an impact on the quality of the plants due to the differences in distribution between the origins. There is a lack of systematic research on its chemical compounds in the existing literature, and fewer studies have been reported for the active compounds of this plant. Therefore, high-resolution liquid mass spectrometry was used in this study. Sixty batches of Silene viscidula Franch samples from twenty origins in three provinces were analyzed for compounds. A database of chemical compounds of Silene viscidula Franch was established through node-to-node information in the GNPS molecular network, as well as literature records. The ion fragmentation information obtained was compared with the literature data and analyzed and identified by importing the mass spectrometry software PeakView 1.2. Then, the MarkerView t-test was applied to analyze and identify the compounds of Silene viscidula Franch from different origins. Afterwards, the antioxidant activity of Silene viscidula Franch from different origins was preliminarily evaluated using DPPH and ABTS free radical scavenging assays. The results showed a total of 78 compounds, including 34 steroids, 14 triterpenoid saponins, 30 flavonoid glycosides, and other classes of compounds, such as alkaloids. The cleavage patterns of steroids, triterpenoid saponins, and flavonoids in positive-ion mode were also summarized. Based on the p-value of the t-test (p < 0.05), 29 differential compounds were screened out. The relative contents of saponins and steroidal compounds in these samples were found to be associated with antioxidant activity. This study provided a preliminary reference for the establishment of a comprehensive evaluation system for the quality of Silene viscidula Franch. [ABSTRACT FROM AUTHOR]

This study presents the design and development of an ultrasonic sensor as a fundamental tool for characterizing the properties of fluids and biofluids. The analysis primarily focuses on measuring the electrical parameters of the system, which correlate with the density and viscosity of the solutions, in sample volumes of microliters and with high temporal resolution (up to 1 data point per second). The use of this sensor allows the fast and non-destructive evaluation of the viscosity and density of fluids deposited on its free surface. The measurements are based on obtaining the impedance versus frequency curve and the phase difference curve (between current and voltage) versus frequency. In this way, characteristic parameters of the transducer, such as the resonance frequency, phase, minimum impedance, and the quality factor of the resonant system, can characterize variations in density and viscosity in the fluid under study. The results obtained revealed the sensor's ability to identify two parameters sensitive to viscosity and two parameters sensitive to density. As a proof of concept, the unfolding of the bovine albumin protein was studied, resulting in a curve that reflects its unfolding kinetics in the presence of urea. [ABSTRACT FROM AUTHOR]

Coleus scutellarioides (L.) Benth. is a globally spread species, known for its characteristic spectacularly colorful leaves of decorative value. Thanks to its rich chemical composition, the plant is used in ethnopharmacology, and it is also regarded as having high medicinal potential. The application of in vitro cultures enables the acquisition of homogeneous certified material of high quality. Additionally, excluding the effect of biotic and abiotic factors on the plants is a way to fully recognize the influence of phytohormones on the plant morphology and the biosynthetic pathways of compound production. The best way to grow C. scutellarioides "Electric Lime" under in vitro conditions is to use the basic MS medium (Murashige and Skoog medium), enriched with naphthyl-1-acetic acid at a concentration of 0.5 mg dm−3. The analysis of volatile compounds demonstrated that the content of volatile compounds in the plants cultivated under in vivo conditions was expressed at a level of 2848.59 µg g−1, whereas in the plants bred in vitro without supplementation with phytohormones, the level was 8191.47 µg g−1. The highest content was noted for copaene, α-pinene, 1-octene-3-ol, α-selinene, sabinen, γ- and δ-cadinene, 3-octanol, and β-pinene. Aroma profiling revealed a lack of boranyl acetate, 2-hexenal, and 2-hexen-1-ol in the plants cultivated under in vivo conditions. Differences were found in the volatile composition between plants bred in vivo and in vitro, with the most significant recorded for the contents of 1-octen-3-ol and 3-octanol. The addition of plant growth regulators into the basic medium under in vitro conditions affected the percentage ratio and contents of specific compounds in plant tissues. The most intense biosynthesis of volatile compounds took place in the plants cultivated on the medium enriched with NAA at 10,579.11 µg g−1, whereas the least intense was noted for plants cultivated on the medium supplemented with BA, where it was recorded at the level of 5610.02 µg g−1. So far, there has been no research published which would pertain to the profiling of volatile compounds performed using the SPME (solid-phase microextraction) technique. Moreover, the very few studies conducted on the chemical composition of these compounds do not mention the specific variety of C. scutellarioides under analysis. [ABSTRACT FROM AUTHOR]

Research regarding meat analogues is mostly based on formulation and process development. Information concerning their safety, shelf life, and long-term nutritional and health effects is limited. This article reviews the existing literature and analyzes potential hazards introduced or modified throughout the processing chain of plant-based meat analogues via extrusion processing, encompassing nutritional, microbiological, chemical, and allergen aspects. It was found that the nutritional value of plant-based raw materials and proteins extracted thereof increases along the processing chain. However, the nutritional value of plant-based meat analogues is lower than that of e.g., animal-based products. Consequently, higher quantities of these products might be needed to achieve a nutritional profile similar to e.g., meat. This could lead to an increased ingestion of undigestible proteins and dietary fiber. Although dietary fibers are known to have many positive health benefits, they present a hazard since their consumption at high concentrations might lead to gastrointestinal reactions. Even though there is plenty of ongoing research on this topic, it is still not clear how the sole absorption of metabolites derived from plant-based products compared with animal-based products ultimately affects human health. Allergens were identified as a hazard since plant-based proteins can induce an allergic reaction, are known to have cross-reactivities with other allergens and cannot be eliminated during the processing of meat analogues. Microbiological hazards, especially the occurrence of spore- and non-spore-forming bacteria, do not represent a particular case if requirements and regulations are met. Lastly, it was concluded that there are still many unknown variables and open questions regarding potential hazards possibly present in meat analogues, including processing-related compounds such as n-nitrosamines, acrylamide, and heterocyclic aromatic amino acids. [ABSTRACT FROM AUTHOR]

The use of diversified raw materials and various extractant types is justified because the varied chemical composition of extracts obtained via extraction determines their biological activity. Therefore, the objective of this study was (i) to characterize the chemical profile of two types of bearberry extracts (70% ethanolic and water) and (ii) to investigate the biological activity of the analyzed extracts through an assessment of their possible proapoptotic effects on glioma cell lines. The HPLC-UV analysis of individual compounds was performed for the determination of the phytochemical profile of the bearberry extracts, and their total phenolic content (TPC) and total flavonoid content (TFC) were determined spectrophotometrically. The induction of apoptosis, autophagy, and necrosis in anaplastic astrocytoma MOGGCCM and human glioblastoma LN229 cell lines were investigated. The results indicated that the ethanolic (Et) and aqueous (Aq) extracts had different chemical profiles. The TPC in the Et was ca. 60% higher than in the Aq. Similarly, the TFC and methylarbutin (mARB) concentrations were significantly higher in the Et. On the other hand, the concentration of hydroquinone (HQ) was ca. 70% and that of corilagin (COR) was ca. 100% higher in the Aq. In turn, the presence of ursolic acid (UA) and oleanolic acid (OA) was confirmed solely in the Et. In contrast to Aq, Et demonstrated high proapoptotic activity. At the concentration of 2 µL/mL, the level of apoptosis varied between 14.7% and 26% in the case of the MOGGCCM cells and between 12.3% and 33.3% in the case of the LN229 cell line. The knowledge and information obtained in this study indicate a need for further research on the anticancer effect of the studied bearberry phytochemicals on the MOGGCCM and LN229 cell lines and for the elucidation of their molecular anticancer mechanisms. [ABSTRACT FROM AUTHOR]

Melanoma is the principal cause of death in skin cancer due to its ability to invade and cause metastasis. Hypoxia, which characterises the tumour microenvironment (TME), plays an important role in melanoma development, as cancer cells can adapt and acquire a more aggressive phenotype. Carbonic anhydrases (CA) activity, involved in pH regulation, is related to melanoma cell migration and invasion. Furthermore, the Hedgehog (Hh) pathway, already known for its role in physiological processes, is a pivotal character in cancer cell growth and can represent a promising pharmacological target. In this study, we targeted Hh pathway components with cyclopamine, glabrescione B and C22 in order to observe their effect on carbonic anhydrase XII (CAXII) expression especially under hypoxia. We then performed a migration and invasion assay on two melanoma cell lines (SK-MEL-28 and A375) where Smoothened, the upstream protein involved in Hh regulation, and GLI1, the main transcription factor that determines Hh pathway activation, were chemically inhibited. Data suggest the existence of a relationship between CAXII, hypoxia and the Hedgehog pathway demonstrating that the chemical inhibition of the Hh pathway and CAXII reduction resulted in melanoma migration and invasion impairment especially under hypoxia. As in recent years drug resistance to small molecules has arisen, the development of new chemical compounds is crucial. The multitarget Hh inhibitor C22 proved to be effective without signs of cytotoxicity and, for this reason, it can represent a promising compound for future studies, with the aim to reach a better melanoma disease management. [ABSTRACT FROM AUTHOR]

The study of the semiochemicals produced by the flowers of Impatiens spp. is an important topic that may explain the reason for the rapid expansion of some species in this genus. Impatiens L. belongs to the Balsaminaceae family, which includes several species considered to be invasive plants in Europe. This study aimed to characterize the phytochemistry of four naturally occurring plant species in Poland, including three invasive alien taxa (Impatiens parviflora, I. glandulifera, and I. capensis) and one native species (I. noli-tangere). Gas chromatographic techniques were used to assess phytochemical profiles of chemical attractant cues in their pollination biology. We detected differences in the scent profiles of the investigated species. All the examined Impatiens species produce various alcohols, i.e., heptacosanol, octacosanol, aldehydes (e.g., octadecanal, eicosanal, etc.), and fatty acids, as well as long-chain hydrocarbons such as dodecane, tricosane, petacosane, hexacosane, and farnesene. Impatiens parviflora, I. glandulifera, and I. capensis produce geraniol and linalool, which attract members of the Apidae family, including bumblebees and honeybees. Impatiens parviflora also produces linalool-derived monoterpenes (linalool oxide and 8-hydroxylinalool), which are a strong attractant for Diptera; this may clarify why the species is mainly visited and pollinated by syrphid flies. A list of insect visitors to the Impatiens species under study can be found in the article. [ABSTRACT FROM AUTHOR]

The paradigm shift toward ecological agriculture has spurred efforts to phase out the use of conventional pesticides, and researchers are actively seeking natural alternatives to replace these chemicals. Aim: This study aimed to introduce an innovative intervention to enhance potato yields in a non-invasive manner, thereby elevating the content of both dry matter and starch. Ultimately, this approach seeks to enhance the quality of raw materials destined for the production of potato-enriched products. A field experiment was conducted in central-eastern Poland that employed a randomized sub-block method within a dependent split-split-plot design replicated three times. The main factor was pre-planting treatments, which included the application of a microbiological preparation to seed potatoes for: (a) 10 min, (b) 15 min, and (c) no treatment (control). Another factor was the fourteen potato cultivars of different earliness groups. Qualitative analyses were carried out in laboratory conditions. The application of the microbiological preparation yielded positive outcomes on the physiological indicators of potato yield, while augmenting the production of dry matter and starch when compared to the control object. The analyzed cultivars had the most pronounced impact on both the content and yield of dry matter and starch, demonstrating a wide array of responses to pre-planting treatments that incorporated microbiological preparations. For the first time in studies concerning effective microorganisms, chlorophyll fluorescence analysis was employed. Alternative solutions in the form of employing microbiological preparations offer the potential to effectively substitute pesticides and synthetic fertilizers in potato production, consequently enhancing the quality of raw materials for food. [ABSTRACT FROM AUTHOR]

The development of regenerative medicine using cell therapy is eagerly awaited for diseases such as spinal cord injury (SCI), for which there has been no radical cure. We previously reported the direct conversion of human fibroblasts into neuronal-like cells using only chemical compounds; however, it is unclear whether chemical compound-induced neuronal-like (CiN) cells are clinically functional. In this study, we partially modified the method of inducing CiN cells (termed immature CiN cells) and examined their therapeutic efficacy, in a rat model of SCI, to investigate whether immature CiN cells are promising for clinical applications. Motor function recovery, after SCI, was assessed using the Basso, Beattie, and Bresnahan (BBB) test, as well as the CatWalk analysis. We found that locomotor recovery, after SCI in the immature CiN cell-transplanted group, was partially improved compared to that in the control group. Consistent with these results, magnetic resonance imaging (MRI) and histopathological analyses revealed that nerve recovery or preservation improved in the immature CiN cell-transplanted group. Furthermore, transcriptome analysis revealed that immature CiN cells highly express hepatocyte growth factor (HGF), which has recently been shown to be a promising therapeutic agent against SCI. Our findings suggest that immature CiN cells may provide an alternative strategy for the regenerative therapy of SCI. [ABSTRACT FROM AUTHOR]

The gas chromatography–ion mobility spectrometry (GC-IMS) method is a new technology for detecting volatile organic compounds. This study was carried out to evaluate the effects of volatile aroma compounds of Curcuma essential oils (EOs) after 60Co radiation by GC-IMS. Dosages of 0, 5, and 10 kGy of 60Co were used to analyze EOs of Curcuma after 60Co irradiation (named EZ-1, EZ-2, and EZ-3). The odor fingerprints of volatile organic compounds in different EOs of Curcuma samples were constructed by headspace solid-phase microextraction and GC-IMS after irradiation. The differences in odor fingerprints of EOs were compared by principal component analysis (PCA). A total of 92 compounds were detected and 65 compounds were identified, most of which were ketones, aldehydes, esters, and a small portion were furan compounds. It was found that the volatile matter content of 0 kGy and 5 kGy was closer, and the use of 10 kGy 60Co irradiation would have an unstable effect on the EOs. In summary, it is not advisable to use a higher dose when using 60Co irradiation for sterilization of Curcuma. Due to the small gradient of irradiation dose used in the experiment, the irradiation dose can be adjusted appropriately according to the required sterilization requirements during the production and storage process of Curcuma to obtain the best irradiation conditions. GC-IMS has the advantages of GC's high separation capability and IMS's fast response, high resolution, and high sensitivity, and the sample requires almost no pretreatment; it can be widely used in the analysis of traditional Chinese medicines containing volatile components. It is shown that irradiation technology has good application prospects in the sterilization of traditional Chinese medicines, but the changes in irradiation dose and chemical composition must be paid attention to. [ABSTRACT FROM AUTHOR]

Compositional, functional, and nutritional properties are important for the use-value assessments of wild and cultivated edible plants. The aim of this study was to compare the nutritional composition, bioactive compounds, volatile compounds, and potential biological activities of cultivated and wild Zingiber striolatum. Various substances, such as soluble sugars, mineral elements, vitamins, total phenolics, total flavonoids, and volatiles, were measured and analyzed using UV spectrophotometry, ICP-OES, HPLC, and GC-MS methods. The antioxidant capacity of a methanol extract of Z. striolatum, as well as the hypoglycemic abilities of its ethanol and water extracts, were tested. The results showed that the contents of soluble sugar, soluble protein, and total saponin in the cultivated samples were higher, while the wild samples contained higher amounts of K, Na, Se, vitamin C, and total amino acids. The cultivated Z. striolatum also showed a higher antioxidant potential, while the wild Z. striolatum exhibited a better hypoglycemic activity. Thirty-three volatile compounds were identified using GC-MS in two plants, with esters and hydrocarbons being the main volatile compounds. This study demonstrated that both cultivated and wild Z. striolatum have a good nutritional value and biological activity, and can be used as a source of nutritional supplementation or even in medication. [ABSTRACT FROM AUTHOR]

The pitaya (dragon fruit) Hylocereus is a genus which belongs to the Cactaceae family. It is native to Mexico, occurring also in other regions of Central and South America. Pitaya fruit is mainly intended for consumption and for this reason the species is grown commercially. The fruit is a rich source of vitamins, biologically active compounds, and dietary fibre. Using in vitro culture can accelerate the process of reproduction and growth of pitaya plants. Profiling of volatile compounds contained in the stem of Hylocereus undatus was carried out using the SPME-GC-MS technique. The main compounds present were hexanal, 2-hexenal and 1-hexanol. The results showed differences in the occurrence of volatile compounds between plants grown in media with an addition of BA (6-benzylaminopurine) and IAA (indole-3-acetic acid), which have been used as plant growth regulators. Statistically significant differences between the contents of volatile compounds were observed in the case of 2-hexenal and 1-hexanol. The effect of BA on reducing the amount of volatile compounds was observed. However, introduction of IAA to the in vitro medium resulted in more compounds being synthesized. This study is the first to describe the volatile compounds in the pitaya stem. The results indicate that plant hormones are able to modify the profile of volatile compounds. [ABSTRACT FROM AUTHOR]

Sweet cherry (Prunus avium L.) is a popular fruit tree grown for its juicy fruit and pleasing appearance. The fruit pf the sweet cherry contains active antioxidants and other chemical compounds essential for human health. For this study, we performed the transcriptomics and metabolomics analysis using young Green Peel (GP) and mature Red Peel (RP) from sweet cherries to understand the underlying genetic mechanism regulating fruit development and ripening. Using high-throughput RNA sequencing and ultra-performance liquid chromatography, with quadrupole time-of-flight tandem mass spectrometry, respectively, metabolic and transcript profiling was obtained. Relative to GP, there were equal quantities of pronouncedly varied metabolites in RP (n = 3564). Differentially expressed genes (DEGs, n = 3564), containing 45 transcription factor (TF) families, were recorded in RP. Meanwhile, 182 differentially expressed TF (DETF) members of 37 TF families, were displayed in abundance in RP compared to GP sweet cherries. The largest quantities of DETFs were members of the ERF (25) and basic helix–loop–helix (bHLH) (19) families, followed by the MYB (18), WRKY (18), and C2H2 (12) families. Interestingly, most ERF genes were down-regulated, whereas CCCH genes were mainly up-regulated in RP. Other DETFs exhibited significant variations. In addition, RT-QPCR results and metabolomics data together with transcriptomic data revealed that the abundance of catechin, epicatechin, rhoifolin, myricetin, keracyanin, and the other six glycosyltransferase genes was highly increased in RP when compared to GP sweet cherries. The relatively higher expression of DETFs, metabolite, and flavonoid biosynthesis in RP sweet cherries suggests the accumulation of distinct metabolites that cause red coloring during fruit development and ripening. Thus, the metabolomics and transcriptomic analysis of the current study are powerful tools for providing more valuable information for the metabolic engineering of flavonoids biosynthesis in sweet cherries. They are also helpful in understanding the relationship between genotype and phenotype. [ABSTRACT FROM AUTHOR]

Wild, edible plants have received increasing attention as an important complement to cultivate vegetables, as they represent an easily accessible source of nutrients, mineral elements, and antioxidants. In this study, the tender stems and leaves of Gonostegia hirta, an edible species for which only scarce data are available in the literature, are thoroughly evaluated for their nutritional profile, chemical characterization, and antioxidant activity. Being considered as an underexploited, potentially edible plant, the nutritional composition of Gonostegia hirta was identified, and several beneficial compounds were highlighted: sugars, potassium, calcium, organic acids, fatty acids, phenolics, and flavonoids. A total of 418 compounds were identified by metabolomic analysis, including phenolic acids, flavonoids, amino acids, lipids, organic acids, terpenoids, alkaloids, nucleotides, tannins, lignans, and coumarin. The plant sample was found to have good antioxidant capacities, presented by DPPH, FRAP, ABTS+, hydroxyl radical scavenging capacity, and its resistance to the superoxide anion radical test. In general, Gonostegia hirta has a good nutritional and phytochemical composition. The health benefits of Gonostegia hirta as a vegetable and herbal medicine is important for both a modern diet and use in medication. [ABSTRACT FROM AUTHOR]

Tyrosinase is a key enzyme target to design new chemical ligands against melanogenesis. In the current review, different chemical derivatives are explored which have been used as anti-melanogenic compounds. These are different chemical compounds naturally present in plants and semi-synthetic and synthetic compounds inspired by these natural products, such as kojic acid produced by several species of fungi; arbutin—a glycosylated hydroquinone extracted from the bearberry plant; vanillin—a phenolic aldehyde extracted from the vanilla bean, etc. After enzyme inhibition screening, various chemical compounds showed different therapeutic effects as tyrosinase inhibitors with different values of the inhibition constant and IC50. We show how appropriately designed scaffolds inspired by the structures of natural compounds are used to develop novel synthetic inhibitors. We review the results of numerous studies, which could lead to the development of effective anti-tyrosinase agents with increased efficiency and safety in the near future, with many applications in the food, pharmaceutical and cosmetics industries. [ABSTRACT FROM AUTHOR]

Physical parameters (i.e., extraction yield, oil content), chemicals (i.e., fatty acids, phenolics) and oxidative stability associated with virgin olive oil (VOO) from ten varieties in Wudu, China, were analyzed as a function of maturity index and variety by multivariate analysis models. Most of the analytical parameters were significantly affected by the variety and maturity index, and the former was more influential than the latter. Phenolics were the principal factor dividing the ten varieties into four groups. High phenolic levels were observed in the 'Koroneiki' group and 'Manzanilla' group, but the oil extractability index differentiated between them, being the highest and lowest, respectively. The 'Koroneiki' group demonstrated high oil productivity and oil quality, which was worthy of promotion in large-scale cultivation. High amounts of linoleic enhanced the VOO health benefits of 'Ascolana tenera, Arbequina and Zhongshan24' group, but brought the risk of shortening the shelf-life. The 'Ulliri Bardhe, Empeltre, Ezhi8, Yuntai14 and Picual' group clustered for the higher relative value of oleic acid. The maturity index had significant negative effects on the content of total phenolics, oleacein, oleocanthal, and oleic acid, but had a positive effect on the extractability index, which suggested that varieties with low phenolics and oleic acid levels should be harvested early. [ABSTRACT FROM AUTHOR]

Siraitia grosvenorii (Swingle) C. Jeffrey ex Lu et Z. Y. Zhang is a unique economic and medicinal plant of Cucurbitaceae in Southern China. For hundreds of years, Chinese people have used the fruit of S. grosvenorii as an excellent natural sweetener and traditional medicine for lung congestion, sore throat, and constipation. It is one of the first species in China to be classified as a medicinal food homology, which has received considerable attention as a natural product with high development potential. Various natural products, such as triterpenoids, flavonoids, amino acids, and lignans, have been released from this plant by previous phytochemical studies. Phar- macological research of the fruits of S. grosvenorii has attracted extensive attention, and an increasing number of extracts and compounds have been demonstrated to have antitussive, expectorant, antiasthmatic, antioxidant, hypoglycemic, immunologic, hepatoprotective, antibacte- rial, and other activities. In this review, based on a large number of previous studies, we summarized the related research progress of the chemical components and pharmacological effects of S. grosvenorii, which provides theoretical support for further investigation of its biological functions and potential clinical applications. [ABSTRACT FROM AUTHOR]

Bougainvillea × buttiana is a plant widely used in traditional Mexican medicine and other parts of the world for the treatment of various health disorders. In this study, the antioxidant and cytoprotective activities of three ethanolic extracts of B. × buttiana (BxbO (Orange), BxbR1 (Rose1) and BxbR2 (Rose2)) were investigated. Antioxidant activities were determined by the oxygen radical absorbance capacity (ORAC), DPPH free radicals scavenging activity, and radical scavenging effects on nitric oxide (NO). The in vitro cytoprotective effect of the extracts against oxidative stress induced by hydrogen peroxide-(H2O2) in a model of L929 cells was also determined as well as NO uptake with or without H2O2 through the MTT assay. The results revealed that there was a difference between the compounds present in each of the extracts, with the 2-Hydroxycinnamic acid compound being observed in all the extracts. The 2-Hydroxycinnamic acid compound was tested in silico to predict its biological (PASSonline) and toxicological (Osiris Property Explorer) activity. All extracts with 1 to 4 mg/mL inhibited the activity of the NO radical. In cells exposed to 1 mg/mL of extracts followed by H2O2 exposure, cell protection ranged from 66.96 to 83.46%. The treatment of the cells with extracts prevented the morphological changes caused by H2O2. The 2-Hydroxycinnamic acid compound showed a probability of in silico antioxidant and cytoprotective activity greater than 0.5 and 0.6, respectively. Therefore, the results demonstrated that Bxb extracts exert antioxidant and protective activities against H2O2-induced oxidative stress in L929 cells. [ABSTRACT FROM AUTHOR]

The quality of turnip-rooted parsley (Petroselinum crispum var. tuberosum) as a seasoning ingredient depends on the content and composition of the essential oil. The content of essential oil is influenced by many factors, the main of which are genetic variations and environmental conditions. The presented work presents for the first time a comparison of such numerous cultivars of root parsley in terms of the essential oil content in both the roots and the leaves. The experiment compared the content and composition of the essential oils of fifteen parsley cultivars in two growing seasons. The essential oil was obtained by the hydrodistillation method, and the composition analysis was performed using the GC/MS technique. The essential oil content in parsley roots ranged from 0.013 to 0.045 mL 100 g−1 FW, while in leaves, it was within the range of 0.041–0.121 mL 100 g−1 FW. The leaf essential oil yield was also higher than the roots, proving that parsley leaves are a valuable spice and should not be treated as a waste product as before. It was observed in the research that the content of essential oils changed significantly due to the weather conditions in the analysed growing seasons; however, some cultivars, such as 'Kinga', 'Eagle', and 'Berlińska PNE', had a stable content of essential oils in the analysed period. The dominant component of the essential oils obtained from the roots of all cultivars was apiol. However, in the case of the essential oils obtained from the leaves, the main ingredients were myristicin, β-pinene, Z-falcarinol, and β-phellandrene, but their content was highly varied depending on the weather conditions in the analysed growing seasons. [ABSTRACT FROM AUTHOR]

For a successful germination and plant growth, seeds must germinate at the right time. Seeds must become nondormant and must fulfill the seed germination requirements. These requirements include light/dark, moisture, temperature, and other environmental cues (e.g., ethylene, exudate from host roots, or chemicals from fire) in the habitat. Seeds come out from dormancy in response to environmental cues, but depending on the species, they may need to be exposed to a second set of environmental cue to germinate. That is, nondormant seeds require specific temperature and water conditions to germination, and sometimes unfavorable temperature and water conditions will cause seeds to enter secondary dormancy. There are still mysteries about how/what environmental cues help seeds detect the right time/conditions for germination after dormancy is broken. Our knowledge of species-specific conditions is incomplete and further studies are needed. [ABSTRACT FROM AUTHOR]

Fixation is a key process contributing to different flavors of green tea and pan-fire and steam were the common fixation methods applied conventionally. In this study, pan-fired green tea (PGT) and steamed green tea (SGT) produced by different fixation methods were compared in characteristic biochemicals including volatile compounds, amino acids, catechins and alkaloids, together with evaluating their tastes and lipid-lowering effects. PGT and SGT could be distinguished clearly by orthogonal partial least squares discriminant analysis (OPLS-DA) and heatmap. SGT had higher contents of volatile alcohols (44.75%) with green and floral attributes, while PGT had higher contents of volatile esters (22.63%) with fruity and sweet attributes. Results of electronic tongue analysis showed that PGT and SGT had similar taste of strong umami and sweetness, but little astringency and bitterness. In addition, amino acids were more abundant in PGT (41.47 mg/g in PGT, 33.79 mg/g in SGT), and catechins were more abundant in SGT (111.36 mg/g in PGT, 139.68 mg/mg in SGT). Zebrafish larvae high-fat model was applied to study the lipid-lowering effects of PGT and SGT. Results showed that both SGT and PGT had lipid-lowering effects, and the lipid level was decreased to 61.11 and 54.47% at concentration of 300 mg/L compared to high-fat group, respectively. Generally, different fixation methods of pan-fire and steam showed significant effects on aroma and contents of characteristic chemical compounds (amino acids and catechins) of green tea, but no effects on the taste and lipid-lowering activity. [ABSTRACT FROM AUTHOR]

Hydrothermal treatment (HTT) offers the potential to upgrade low-value biomass such as digestate (DG) or forest residue (FR) by producing solids and liquids for material use or energetic utilization. In this study, microwave-assisted HTT experiments with DG and FR as feedstocks were executed at different temperatures (130, 150, 170 °C) and with different holding times (30, 60, 90 min) to determine the influences on product properties (ash and elemental concentrations, calorific values and chemical compounds). In general, DG and FR reacted differently to HTT. For the DG solids, for instance, the ash concentration was reduced to 8.68%DM at 130 °C (initially 27.67%DM), and the higher heating value increased from 16.55 MJ/kgDM to 20.82 MJ/kgDM at 170 °C, while the FR solids were affected only marginally. Elements with importance for emissions in combustion were leached out in both HTT solids. The DG and FR liquids contained different chemical compounds, and the temperature or holding time affected their formation. Depending on the designated application of HTT, less severe conditions can deliver better results. It was demonstrated that different low-temperature HTT conditions already induce strong changes in the product qualities of DG and FR. Optimized interactions between process parameters (temperature, holding time and feedstock) might lead to better cost–benefit effects in HTT. [ABSTRACT FROM AUTHOR]

Philadelphus coronarius is a versatile plant and its use in folk medicine has a long tradition; however, scientifically, the medical utilization of the herb is a less explored research field. The aim of our study was to identify and determine the quantity of the bioactive compounds of both the leaf and the flower and prepare a lyophilized product of them, from which medical ointments were formulated, since the topical application of P. coronarius has also not been studied. In vitro drug release, texture analysis and biocompatibility experiments were carried out, as well as the investigation of microbiological, antioxidant and anti-inflammatory properties. According to our results the composition and the selected excipients of the ointments have a great impact on the drug release, texture and bioavailability of the preparation. During the microbiological testing, the P. coronarius leaf was effective against Escherichia coli and Staphylococcus aureus, but it did not significantly decrease IL-4 production when it was tested on HaCaT cells. P. coronarius is a promising herb, and its topical application in antimicrobial therapy can be a useful addition to modern medical therapy. [ABSTRACT FROM AUTHOR]

Previous studies have described the chemical pollution in indoor air of healthcare and care facilities. From these studies, the main objective of this work was to conduct a quantitative health risk assessment of the chronic inhalation of chemical compounds by workers in healthcare and elderly care facilities (hospitals, dental and general practitioner offices, pharmacies and nursing homes). The molecules of interest were 36 volatile and 13 semi-volatile organic compounds. Several professional exposure scenarios were developed in these facilities. The likelihood and severity of side effects that could occur were assessed by calculating the hazard quotient for deterministic effects, and the excess lifetime cancer risk for stochastic effects. No hazard quotient was greater than 1. Three compounds had a hazard quotient above 0.1: 2-ethyl-1-hexanol in dental and general practitioner offices, ethylbenzene and acetone in dental offices. Only formaldehyde presented an excess lifetime cancer risk greater than 1 × 10−5 in dental and general practitioner offices (maximum value of 3.8 × 10−5 for general practitioners). The health risk for chronic inhalation of most compounds investigated did not appear to be of concern. Some values tend to approach the acceptability thresholds justifying a reflection on the implementation of corrective actions such as the installation of ventilation systems. [ABSTRACT FROM AUTHOR]

Breast cancer, the most prevalent malignant tumor among women globally, remains a critical area of focus for researchers striving to refine therapeutic approaches. As an important component of traditional Chinese medicine, Astragalus membranaceus (AM) has demonstrated potential for multifaceted impacts on breast cancer treatment through various mechanisms. To guide clinical practice and further explore the under-researched field of AM in breast cancer treatment, this paper mainly reviews the regulatory roles of AM-derived compounds and extracts on breast cancer cell proliferation, migration, invasion, and chemoresistance. Furthermore, this study delves into the synergistic effects observed when AM is co-administered with chemotherapeutic agents, including the enhancement of chemosensitivity, mitigation of toxic side effects, and reversal of drug resistance. This review indicates that AM holds promise not only as a therapy in breast cancer treatment but also paves the way for innovative integrated treatment approaches that combine the benefits of traditional medicine with modern pharmaceuticals. Nevertheless, future research endeavors are also urged to elucidate the in vivo pharmacological effects and underlying mechanisms of AM to inform more effective clinical treatment strategies.

Post-parturient behavior of mammalian females is essential for early parent-offspring contact. After delivery, lambs need to ingest colostrum for obtaining the related immunological protection, and early interactions between the mother and the lamb are crucial. Despite visual and auditory cues, olfactory cues are decisive in lamb orientation to the mammary gland. In sheep, the inguinal sinus is located bilaterally near the mammary gland as a skin pouch (IGS) that presents a gland that secretes a strong-smelling wax. Sheep IGS gland functions have many aspects under evaluation. The objective of the present study was to evaluate sheep IGS gland functional aspects and mRNA transcription and the protein expression of several hormone receptors, such as progesterone receptor (PGR), estrogen receptor 1 (ESR1), and 2 (ESR2) and prolactin receptor (PRLR) present. In addition, another aim was to achieve information about IGS ultrastructure and chemical compounds produced in this gland. All hormone receptors evaluated show expression in IGS during the estrous cycle (follicular/luteal phases), pregnancy, and the post-partum period. IGS secretion is rich in triterpenoids that totally differ from the surrounding skin. They might be essential substances for the development of an olfactory preference of newborns to their mothers. [ABSTRACT FROM AUTHOR]

The influence of the addition of organic compounds, such as palmitic acid and cholesteryl myristate, on the porous structure of Fe-Al intermetallics formation has been investigated in detail in this paper. It was found that additives have a significant effect on the final porosity of the obtained sinters. Formed gaseous products from combustion play the role of the foaming agent during Fe-Al intermetallic alloy sintering. The influence of these additives is also clearly noticeable in chemical composition changes of the final products through the increase of carbon content in the porous structure. This is attributed to the thermal decomposition, namely combustion, of the organic additives. [ABSTRACT FROM AUTHOR]

Statistical entropy analysis (SEA) quantifies the dilution and concentration of conservative substances (e.g., heavy metals) in a system. In this paper, the SEA concept is extended (eSEA) to make it applicable to systems in which the chemical speciation is of particular importance. The eSEA is applied to a simplified region used for crop farming. The extent to which the region concentrates or dilutes nitrogen compounds is expressed as the change in statistical entropy (ΔH). A detailed derivation for the calculation of ΔH is provided. The results are discussed for four variations of the crop farming system, showing that the efficiency of crop farming can be expressed by eSEA. [ABSTRACT FROM AUTHOR]

Diabetes produces a chronic inflammatory state that contributes to the development of vascular disease and impaired wound healing. Despite the known individual and societal impacts of diabetic ulcers, there are limited therapies effective at improving healing. Stromal cell-derived factor 1α (SDF-1α) is a CXC chemokine that functions via activation of the CXC chemokine receptor type 4 (CXCR4) receptor to recruit hematopoietic cells to locations of tissue injury and promote tissue repair. The expression of SDF-1α is reduced in diabetic wounds, suggesting a potential contribution to wound healing impairment and presenting the CXCR4 receptor as a target for therapeutic investigations. We developed a high-throughput β-arrestin recruitment assay and conducted structure–activity relationship (SAR) studies to screen compounds for utility as CXCR4 agonists. We identified CXCR4 agonist UCUF-728 from our studies and further validated its activity in vitro in diabetic fibroblasts. UCUF-728 reduced overexpression of miRNA-15b and miRNA-29a, negative regulators of angiogenesis and type I collagen production, respectively, in diabetic fibroblasts. In vivo, UCUF-728 reduced the wound closure time by 36% and increased the evidence of angiogenesis in diabetic mice. Together, this work demonstrates the clinical potential of small molecule CXCR4 agonists as novel therapies for pathologic wound healing in diabetes. [ABSTRACT FROM AUTHOR]

Koelreuteria paniculata Laxm. is used in traditional medicine and has various established biological activities, however, the species is considered to be a potentially invasive alien tree species for Bulgarian flora. However, there is still much to be studied about the phytochemical and biological characteristics of the species. The present study aimed to determine the chemical composition of the ethanol extracts of aerial plant parts, by GC-MS analysis, and to thereby evaluate their in vitro antitumor and antibacterial properties. All three extracts were tested against the HT-29 and PC3 tumor cell lines using the MTT assay. Fifty-six components were identified from leaf, flower, and stem bark extracts, and over 10% were the following constituents: pyrogallol, α-terpinyl acetate, neryl acetate, and α-terpinyl isobutanoate. The oxygenated monoterpenes predominated in the extracts, followed by the oxygenated aliphatics and phenylpropanoids. Significant antiproliferative activity on the HT-29 cell line (IC50–21.44 µg/mL and 23.63 µg/mL, respectively) was found for the flower and leaf extracts. Antibacterial activity was established for the following bacteria strains: Bacillus subtilis ATCC 6633, Bacillus cereus NCTC 10320, Escherichia coli ATCC 8739, Pseudomonas aeruginosa ATCC 6027, and Proteus vulgaris ATCC 6380. The stem bark and flower extracts showed better antimicrobial potential. K. paniculata could be considered as a potential source of biologically active substances with antitumor and antibacterial properties. [ABSTRACT FROM AUTHOR]

Waste engine oil bottom (WEOB) is a hazardous waste whose effect as an additive to CR+SBS modified asphalt is rarely studied. In this study, the CR+SBS asphalt binder was modified with WEOB in different concentrations (3, 6, and 9 wt%). The GC–MS and FTIR were performed to evaluate the chemical compositions of WEOB and WEOBCR+SBS asphalt. The results showed that the main constituents of WEOB were similar to the functional groups of asphalt, along with maleic anhydride (MAH). Pavement performance-related rheological tests such as RV, temperature sweep (TS), FS, MSCR, and BBR were carried out. Results show that WEOBCR+SBS-6 exhibited the best high- and low-temperature property, followed by CR+SBS-3 and CR+SBS-9. Fluorescence microscope (FM) test, bar thin layer chromatograph (BTLC) test, FTIR, and AFM tests were carried out to evaluate the micro-morphologies and modification mechanism. The analysis revealed increased trends in resin fraction as opposed to asphaltene fraction with the increase of WEOB content. FTIR analysis revealed that the amide groups in WEOBCR+SBS asphalt bonded to the free radicals of CR. Moreover, a modification mechanism was elaborated. WEOB strengthens the cross-linked structure of CR+SBS polymers, reacting with SBS to graft onto MAH-g-SBS, and the free radical of CR interacts with the amide group in WEOB to form a bond. In addition, the content of lightweight components and surface roughness of SBS specimens were in good correlation, which contributed to the rutting resistance and adhesion and self-healing performance. [ABSTRACT FROM AUTHOR]

In response to urgent demand to raise awareness of the nutritional and health benefits of tomato consumption and to advocate for healthy diets through increased sustainable production and consumption of fruits and vegetables, this study is intended to promote a healthy and balanced lifestyle, sharing the best practices of production and consumption. The aim of this research was to compare the effects of the growing system (field vs. plastic tunnel) and of genotype characteristics for organic improved tomato genotypes. The research was carried out in the 2019 and 2020 years on eight improved tomato genotypes. The results showed that the ascorbic acid content presented higher values for organic tomatoes cultivated in the field for all genotypes studied, with an upper limit of 18.57 mg·100 g−1 FW. In contrast, the content in β-carotene and lycopene showed higher values for genotypes grown under plastic tunnel conditions. Significant statistical differences were noticed concerning the mean values of all genotypes according to cultivation conditions (field vs. plastic tunnel) for most parameters excepting total soluble solids (TSS), titratable acidity (TA), maturity index (MI) and flavor index (FI). This highlights the major importance of the selection of some genotypes of tomatoes that respond positively to the organic cultivation system in terms of the presence of the antioxidants compounds (vitamin C, lycopene, and carotene) in representative quantities. Genotype 3 is highlighted by the highest content in carotene (7.4 mg·100 g−1 F.W.) and lycopene (8.4 mg·100 g−1 F.W.) and genotype 5 by the highest content in vitamin C (16.8 mg·100 g−1 F.W.). The results of the study suggest that by applying appropriate techniques for growing organic tomatoes in the plastic tunnel system, the antioxidant substrate can be optimized compared to the results obtained for the field system. [ABSTRACT FROM AUTHOR]

The idea of popularity/abundance of chemical compounds is widely used in non-target chemical analysis involving environmental studies. To have a clear quantitative basis for this idea, frequency distributions of chemical compounds over indicators of their popularity/abundance are obtained and discussed. Popularity indicators are the number of information sources, the number of chemical vendors, counts of data records, and other variables assessed from two large databases, namely ChemSpider and PubChem. Distributions are approximated by power functions, special cases of Zipf distributions, which are characteristic of the results of human/social activity. Relatively small group of the most popular compounds has been denoted, conventionally accounting for a few percent (several million) of compounds. These compounds are most often explored in scientific research and are practically used. Accordingly, popular compounds have been taken into account as first analyte candidates for identification in non-target analysis. [ABSTRACT FROM AUTHOR]

The microstructural and physicochemical compositions of bean (Phaseolus vulgaris), lentil (Lens culinaris Merr.), soybean (Glycine max L.), chickpea (Cicer aretinium L.) and lupine (Lupinus albus) were investigated over 2 and 4 days of germination. Different changes were noticed during microscopic observations (Stereo Microscope, SEM) of the legume seeds subjected to germination, mostly related to the breakages of the seed structure. The germination caused the increase in protein content for bean, lentil, and chickpea and of ash content for lentil, soybean and chickpea. Germination increased the availability of sodium, magnesium, iron, zinc and also the acidity for all legume types. The content of fat decreased for lentil, chickpea, and lupine, whereas the content of carbohydrates and pH decreased for all legume types during the four-day germination period. Fourier transform infrared spectroscopic (FT-IR) spectra show that the compositions of germinated seeds were different from the control and varied depending on the type of legume. The multivariate analysis of the data shows close associations between chickpea, lentil, and bean and between lupine and soybean samples during the germination process. Significant negative correlations were obtained between carbohydrate contents and protein, fat and ash at the 0.01 level. [ABSTRACT FROM AUTHOR]

It is thought that the therapeutic efficacy of Morus alba L. is determined by its biological compounds. We investigated the chemical differences in the medicinal parts of M. alba by analyzing a total of 57 samples (15 root barks, 11 twigs, 12 fruits, and 19 leaves). Twelve marker compounds, including seven flavonoids, two stilbenoids, two phenolic acids, and a coumarin, were quantitatively analyzed using a high-performance liquid chromatography-diode array detector and chemometric analyses (principal component and heatmap analysis). The results demonstrated that the levels and compositions of the marker compounds varied in each medicinal part. The leaves contained higher levels of six compounds, the root barks contained higher levels of four compounds, and the twigs contained higher levels of two compounds. The results of chemometric analysis showed clustering of the samples according to the medicinal part, with the marker compounds strongly associated with each part: mulberroside A, taxifolin, kuwanon G, and morusin for the root barks; 4-hydroxycinnamic acid and oxyresveratrol for the twigs and skimmin; chlorogenic acid, rutin, isoquercitrin, astragalin, and quercitrin for the leaves. Our approach plays a fundamental role in the quality evaluation and further understanding of biological actions of herbal medicines derived from various medicinal plant parts. [ABSTRACT FROM AUTHOR]

Oxidative stress plays an important role in cellular processes. Consequently, oxidative stress also affects etiology, progression, and response to therapeutics in various pathological conditions including malignant tumors. Oxidative stress and associated outcomes are often brought about by excessive generation of reactive oxygen species (ROS). Accumulation of ROS occurs due to dysregulation of homeostasis in an otherwise strictly controlled physiological condition. In fact, intracellular ROS levels are closely associated with the pathological status and outcome of numerous diseases. Notably, mitochondria are recognized as the critical regulator and primary source of ROS. Damage to mitochondria increases mitochondrial ROS (mROS) production, which leads to an increased level of total intracellular ROS. However, intracellular ROS level may not always reflect mROS levels, as ROS is not only produced by mitochondria but also by other organelles such as endoplasmic reticulum and peroxisomes. Thus, an evaluation of mROS would help us to recognize the biological and pathological characteristics and predictive markers of malignant tumors and develop efficient treatment strategies. In this review, we describe the pathological significance of mROS in malignant neoplasms. In particular, we show the association of mROS-related signaling in the molecular mechanisms of chemically synthesized and natural chemotherapeutic agents and photodynamic therapy. [ABSTRACT FROM AUTHOR]

Osteoarthritis (OA) is one of the most prevalent chronic joint diseases worldwide, which causes a series of problems, such as joint pain, muscle atrophy, and joint deformities. Benefiting from some advances in the clinical treatment of OA, the quality of life of OA patients has been improved. However, the clinical need for more effective treatments for OA is still very urgent. Increasing findings show that macrophages are a critical breakthrough in OA therapy. Stimulated by different factors, macrophages are differentiated into two phenotypes: the pro-inflammatory M1 type and anti-inflammatory M2 type. In this study, various therapeutic reagents for macrophage-dependent OA treatment are summarized, including physical stimuli, chemical compounds, and biological molecules. Subsequently, the mechanisms of action of various approaches to modulating macrophages are discussed, and the signaling pathways underlying these treatments are interpreted. The NF-κB signaling pathway plays a vital role in the occurrence and development of macrophage-mediated OA, as NF-κB signaling pathway agonists promote the occurrence of OA, whereas NF-κB inhibitors ameliorate OA. Besides, several signaling pathways are also involved in the process of OA, including the JNK, Akt, MAPK, STAT6, Wnt/β-catenin, and mTOR pathways. In summary, macrophage polarization is a critical node in regulating the inflammatory response of OA. Reagents targeting the polarization of macrophages can effectively inhibit inflammation in the joints, which finally relieves OA symptoms. Our work lays the foundation for the development of macrophage-targeted therapeutic molecules and helps to elucidate the role of macrophages in OA. [ABSTRACT FROM AUTHOR]

Lab experiments related to artificial fog studies are limited due to instrument sensitivity to small fog and aerosol particles; therefore, the goal of this work is to evaluate aerosol solute effects on fog physical properties in a lab environment. To reach the goal, an automated fog-generating system was designed and that includes controlled chemical compounds dissolved in pure water. In the analysis, the impact of changing the mass concentration of potassium dihydrogen phosphate—KH2PO4, urea-CO(NH2)2, and potassium hexacyanoferrate trihydrate-K3(Fe(CN)6) on fog droplet size spectra is studied, because visibility is directly related to fog droplet spectra and aerosol composition. In the experiment, various microphysical conditions, including fog droplet size and volume concentration, were analyzed as a function of changing aerosol composition/spectra and fixed thermodynamic conditions. The results showed that fog droplet size spectra vary with the addition of chemical impurities to the pure water volume. For example, increasing KH2PO4 concentration compared to distilled water volume resulted in a higher mean particle size, which led to faster droplet settlement, and that resulted in cleaning air more efficiently compared to pure water fog. Overall, both issues and challenges of the experimental fog generating system with respect to water and aerosol solutions resembling CRBN (chemical, radiological, biological, and nuclear agents) characteristics are provided and evaluated. [ABSTRACT FROM AUTHOR]

Life Cycle Assessments (LCAs) of thermoelectric plants frequently focus on impacts related to fuel and water consumption. The purpose of this research was to determine the environmental impact of the chemicals used for water conditioning in a Combined-Cycle Gas Turbine (CCGT) plant in Mexico. An LCA of the electricity generation process was carried out using the SimaPro software with the ReCiPe method, which includes 18 midpoint environmental impact categories. The process was broken down into stages, which were analyzed separately. To complete the study, an analysis of the fuel cycle and the materials used for maintenance works were included. Results showed that the most affected impact categories were water depletion (9.77 × 10−1 m3/MWh), due mainly to the high volume of water consumption in the cooling systems and the reverse osmosis process; freshwater, marine, and terrestrial ecotoxicity (1.59 × 10−2 kg 1,4 -DB eq/MWh), and human toxicity (1.1 × 10−1 kg 1,4-DB eq/MWh)—due to the production and consumption of the chemicals used. One such chemical is hydrazine, which is a highly toxic compound to humans and other living organisms. It is worth mentioning that traces of some chemicals in wastewater discharges could be considered as emerging pollutants because of their potential health hazards, which have not been reported yet. [ABSTRACT FROM AUTHOR]

The fruits, leaves and root barks of L. barbarum plant are widely used as functional foods and as ingredients in traditional Chinese prescriptions and patent medicines. They are considered to have different pharmacological activities and health benefits because of their diverse constituents. Here, the chemical constituents of the extracts from fruits, leaves and root barks of L. barbarum were compared by ultra-high performance liquid chromatography coupled with high resolution mass spectrometry (UPLC-HR-MS). A total of 131 compounds were identified and seven of them were quantified. Among them, 98, 28 and 35 constituents were detected in fruits, leaves and root barks respectively. Dicaffeoylspermidine/spermine derivatives were the most detected compounds (74/131); among them, dicaffeoylspermine isomers and propionyl-dicaffeoylspermidine were found in root barks in very large amounts (e.g., kukoamine B = 10.90 mg/g dry powder); dicaffeoyl-spermidine isomers were detected in fruits/leaves in a high amount, and many of their glycosylated derivatives were mainly detected in fruits. In addition, six saponins from L. barbarum fruits were reported for the first time, and 5,6-dihydrosolasonine was reported for the first time in plants. The activity assays showed that the root bark extract possessed the strongest antioxidative activity and cytotoxicity, which was presumed due to the large amount of dicaffeoylspermine/spermidines in root barks. Fourteen potential bioactive components from fruits were identified by a target cell-based screening method. These results will help to understand the different biological activities of these three parts of L. barbarum plant and will benefit the discovery of new functional components. [ABSTRACT FROM AUTHOR]

This study aimed to determine the chemical composition, fatty acids, volatile profile and phenolic compounds profiles from five wild edible mushrooms (Agaricus bisporus, Pleurotus ostreatus, Cantharellus cibarius, Boletus edulis, Lactarius piperatus) from Romania. The results indicated that the dried fruiting bodies of selected mushrooms were rich in proteins (36.24 g/100 g dw-Boletus edulis) and carbohydrates (62.45 g/100 g dw-Lactarius piperatus). 4-Hydroxybenzoic acid and cinnamic acid, were the main phenolic compound present in all selected species. Additionally, the fatty acid pattern included polyunsaturated acids in more than 60% of all fatty acids followed by monounsaturated fatty acids (30%). For the studied mushroom samples, the main volatile compounds identified by the gas chromatography-mass spectrometry were hexanal, benzaldehyde and dodecanoic acid. According to the obtained results, the fruiting bodies of selected Romanian mushrooms are a rich source of bioactive molecules indicating that they may be further exploited as functional ingredients in the composition of innovative food products. [ABSTRACT FROM AUTHOR]

G-Networks and their simplified version known as the Random Neural Network have often been used to classify data. In this paper, we present a use of the Random Neural Network to the early detection of potential of toxicity chemical compounds through the prediction of their bioactivity from the compounds' physico-chemical structure, and propose that it be automated using machine learning (ML) techniques. Specifically the Random Neural Network is shown to be an effective analytical tool to this effect, and the approach is illustrated and compared with several ML techniques. [ABSTRACT FROM AUTHOR]