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Ganoderma species have been studied for their pharmacological approaches, such as anticancer, antitumor, antiproliferative, and antioxidant activity. Elicitors are used to increase Ganoderma bioactive composite production. This study aims to evaluate the antiproliferative activity of ethanolic extracts from mycelium of Ganoderma tuberculosum (G. tuberculosum) grown in a liquid medium with vineyard pruning waste (VPW) extracts as elicitors. Ethanolic and aqueous VPW extracts contain resveratrol dimer 4, resveratrol tetramer 1, and naringenin, while toluene and chloroform extracts contain tetradecanoic acid, hexadecanoic acid, and octadecanoic acid. Polar and nonpolar extracts could be promising elicitors for increasing bioactive molecules. Catechin gallate showed the highest correlation (r = 0.66) with biomass. Mycelial ethanolic extracts of G. tuberculosum (native strain from the Sonoran Desert) and Ganoderma lucidum (G. lucidum) (control) were analyzed by ESI‐IT‐MS, and 27 molecules were identified for the two species. They showed antiproliferative activity against the A549 and C‐33 A cell lines but not for ARPE‐19. G. tuberculosum culture with VPW had quinic acid, ganodermenonol, ganoderic acid I (GA‐I), C2 (GA‐C2), and 20‐hydroxylucidenic acid P, among others. Molecular docking of ganodermenonol, GA‐I, and GA‐C2 demonstrates significant interaction with tumor necrotic factor (TNF‐α). These ethanolic extracts of Ganoderma are promising sources of bioactive triterpenoids. Their antiproliferative activity did not change between species or treatment. Likewise, the G. tuberculosum and G. lucidum extracts only affected cancer cell lines. This property seems promising for pharmacological applications of these fungal extracts. [ABSTRACT FROM AUTHOR]

Elucidating the key genes and metabolites responsible for fruit skin color is essential for the breeding of strawberry varieties with beautiful fruit color. Here, transcriptome and metabolome analyses were used to identify the key genes and metabolites associated with fruit skin color in strawberry accessions of red skin (Kaorino), white skin (2012-W02), and the pink skin (Fenyu NO.1, the F1 hybrid of Kaorino and 2012- W02). The metabolomic data showed that the content of anthocyanin-related metabolites, such as p-Coumaroyl quinic acid, 5-Hydroxyconiferyl alcohol and Coumestrol were significantly higher in red-skinned strawberry line Kaorino than in the white-skinned line 2012-W02. The flavonoids and isoflavonoids such as syringetin and 2,7,4’-trihydroxy-isoflavone, were less expressed in the Kaorino than in the other two accessions. Transcriptome analysis revealed that the expression of genes involved in anthocyanin biosynthesis, such as BZ1, F3H, CHS, CHI, DFR, 4CL, PAL, CCR, 4CL, F5H, REF1 and UGT72E, were also significantly upregulated in the red-skinned line Kaorino compared to the white-skinned line 2012-W02, while the HCT, CYP75B1, FG3, HIDH, IF7MAT, I2’H, and VR was downregulated in Kaorino. Combined transcriptome and metabolome analyses revealed that the pathways of isoflavonoid biosynthesis and flavone and flavonol biosynthesis, and the phenylpropanoid biosynthesis pathway essential for anthocyanin synthesis were commonly enriched by DRMs and DEGs. In addition, themetabolites of peonidin 3-O-glucoside, 2’-hydroxydaidzein and daidzin, and the genes of CYP93B2_16 and UGT73C6 were detected andmost accumulated in pinkskinned Fenyu NO.1. This result suggested that the main strategy for obtaining a red skin color is to enhance the upstream pathway of anthocyanin biosynthesis, including the phenylpropanoid biosynthesis pathway, and to restrict the downstream steps in the flavonoid biosynthesis pathway, such as the branch pathway of flavone and flavonol biosynthesis and isoflavonoid biosynthesis. [ABSTRACT FROM AUTHOR]

Arum maculatum, cuckoo‐pint in folk linguistics, is a poisonous but medicinal plant with tremendous properties that need investigation. This study subjected cuckoo‐pint's parts to in vitro antioxidant, enzyme inhibition, and antimicrobial susceptibility testing to investigate its biological activity. Further, phytochemistry was analyzed by both LC–MS/MS and total phenol, flavonoid, saponin, and reducing sugar content determination assays. Antioxidant activities were determined by Fe3+, Cu2+, Fe3+‐TPTZ metal‐reducing ability, 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) and 2,2ʹ‐azino‐bis‐3‐ethylbenzothiazoline‐6‐sulfonic acid (ABTS) radical scavenging assays. According to the results, seeds and berries have remarkable metal‐reducing and radical‐scavenging effects as natural and synthetic analogs such as ascorbic acid, butylated hydroxyanisole, butylated hydroxytoluene, trolox, and α‐tocopherol. Inhibition studies over human carbonic anhydrase II (hCA II), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α‐amylase were performed, and IC50 values were determined for each enzyme inhibition. According to the results, the cuckoo‐pint seeds inhibited the AChE, BChE, and hCA II activity with greater IC50 values than reference inhibitors. Antimicrobial activity over pan‐resistant strains was achieved for each strain with the extracts, at least 20 mm zone diameter was obtained with the lowest concentrations. LC–MS/MS results revealed 24 bioactive metabolites associated with the extracts' biological activity. Notably, quinic acid and epicatechin correlated with cardioprotective, neuroprotective, antioxidant, and antidiabetic activity. [ABSTRACT FROM AUTHOR]

The present study evaluated the inhibitory effect of Ethiopian coffee (Coffea arabica) on carbohydrate digestive enzymes and its protective effect against glucose-induced testicular dysfunction using in vitro and in silico study models. Testicular oxidative stress was initiated by co-incubating testocular tissue collected from male Sprague-Dawley rats in glucose solution with different concentrations of Ethiopian coffee aqueous extracts (hot and cold) for 2 h at 37ºC. Glucose-mediated oxidative stress significantly (p < 0.05) depleted reduced glutathione and total glycogen levels while it lowered catalase and superoxide dismutase (SOD) activities in the testicular tissue. Concomitantly, this led to elevated malondialdehyde and nitric oxide levels while it also increased glycogen phosphorylase, fructose-1,6-bisphosphatase, ATPase, and acetylcholinesterase activities. Treatment with different concentrations of coffee aqueous extracts restored the enzymes' and markers' levels and activities. Although both the cold and hot coffee extracts strongly inhibited α-glucosidase and α-amylase enzymes, the former showed better activities. The subjection of the coffee extracts to LC-MS analysis indicated the presence of several compounds, including chlorogenic acid, caffeic acid, cafestol, kahweol, caffeine, quinic acid, ferulic acid, and catechol which were further docked with the carbohydrate digestive enzymes. The in silico results displayed that among the various metabolites, chlorogenic acid strongly interacted and had the best binding affinity with α-glucosidase and α-amylase. Our findings implied that Ethiopian coffee may have a preventive effect against glucose-induced testicular damage. These are evidenced by the capacity of the plant product to decrease oxidative stress and protect against testicular dysfunction. [ABSTRACT FROM AUTHOR]

Neural progenitor cells (NPCs) reside in the brain and participate in the mechanism of neurogenesis that permits the brain to generate the building blocks for enhancement of cognitive abilities and acquisition of new skills. The existence of NPCs in brain has opened a novel dimension of research to explore their potential for treatment of various neurodegenerative disorders. The present study provides novel insights into the intracellular mechanisms in neuronal cells proliferation, maturation and differentiation regulated by Quinic acid (QA). Furthermore, this study might help in discovery and development of lead molecule that can overcome the challenges in the treatment of neurodegenerative diseases. The growth supporting effect of QA was studied using MTT assay. For that purpose, hippocampal cell cultures of neonatal rats were treated with different concentrations of QA and incubated for 24, 48 and 72 h. Gene and protein expressions of the selected molecular markers nestin, neuron‐specific class III beta‐tubulin (Tuj‐1), neuronal nuclear protein (NeuN), neuronal differentiation 1 (NeuroD1), glial fibrillary acidic protein (GFAP), neuroligin (NLGN) and vimentin were analyzed. QA‐induced cell proliferation and differentiation of hippocampal progenitor cells was also accompanied by significantly increased expression of progenitor and immature neuronal marker, mature neuronal marker and differentiating factor, that is, nestin, Tuj‐1, NeuN and NeuroD1, respectively. On the other hand, vimentin downregulation and constant GFAP expression were observed following QA treatment. Additionally, the effects of QA on the recovery of stressed cells was studied using in vitro model of oxygen glucose deprivation (OGD). It was observed that hippocampal cells were able to recover from OGD following the treatment with QA. These findings suggest that QA treatment promotes hippocampal neurogenesis by proliferating and differentiating of NPCs and recovers neurons from stress caused by OGD. Thus, the neurogenic potential of QA can be explored for the treatment of neurodegenerative disorders. [ABSTRACT FROM AUTHOR]

Cousinia birandiana is one of the widely spread species of the Asteraceae family. In this study, the total phenolic and flavonoid contents, the inhibitory effect on α-amylase, α-glucosidase, acetylcholinesterase and butyrylcholinesterase enzymes, the antioxidant capacity (by DPPH, ABTS, FRAP, CUPRAC tests) and the phytochemical content (by LC-HRMS) of the ethanol extract and fractions were studied. As a result, it was shown that ethanol extract has better enzyme inhibitory effects on α-amylase, AChE and BChE enzymes with 300.000, 380.605 and 133.567 µg/mL IC50 values. Besides that, the highest phenolic and flavonoid content was found in the ethyl acetate fraction (735.986 mgGAE/gextract and 952.317 mgCA/gextract, respectively). It is observed that the same fraction has better antioxidant activity in DPPH (IC50 =112.701 mg/mL), ABTS (9.494 µM Trolox/gextract) and CUPRAC (1120.454 mgGAE/gextract) tests and the n-hexane fraction has a higher FRAP (1351.199 mmol Fe2+/gextract) antioxidant effect. According to the phytochemical analyses quinic acid, chlorogenic acid and isoquercitrin were found as major compounds in the ethanol extract and fractions. In addition, the same assays were carried out with these major substances. So, this plant can be viewed as a promising bio-resource for pharmaceuticals and biomedical products. [ABSTRACT FROM AUTHOR]

Citrus seed waste is a significant byproduct of the Citrus processing industry. While Citrus fruit is a rich source of bioactive chemicals, little is known about the possible health benefits of the seeds. This study investigates the antioxidant and antibacterial properties of Citrus volkameriana Ten. & Pasq. (Family: Rutaceae) seeds' extracts as well as their constituents, to identify potential applications for this underutilised resource. The studied extracts are petroleum ether extract (CVPE) and 70 % aqueous methanolic extract (CVME). CVPE exhibited higher antioxidant activity than CVME using ABTS and ferric-reducing antioxidant power (FRAP) assays. The antimicrobial activity was evaluated using the disc diffusion method against different microbial strains, CVME inhibited the growth of Staphylococcus aureus, Staphylococcus epidermidis, and Helicobacter pylori at a minimal inhibitory concentration (MIC), ranging between 2.2 and 97 mg/mL. Whereas CVPE only inhibited the growth of methicillin-resistant Staphylococcus aureus (MRSA) at MIC 41.6 mg/mL. CVME showed potentially bactericidal activity against Staphylococcus aureus and Pseudomonas aeruginosa with a minimal bactericidal concentration (MBC) of 83.25 mg/mL for each. The MBC of CVME reached 20 mg/mL against Staphylococcus epidermidis. GC/MS analysis of the unsaponifiable and the saponifiable matters of CVPE revealed the identification of forty-three and fifteen compounds, respectively. Twenty compounds were identified in CVME using HPLC-ESI-MS/MS analysis where caffeic acid, quinic acid, caffeoyl quinic acid, citric acid, astringin, luteone 7- O -glucoside, and myricetin are the major peaks. Moreover, in silico molecular docking, drug-likeness, and ADMET features investigations were performed to identify the potential antimicrobial compounds from CVME. Astringin, luteone 7- O -glucoside, and myricetin showed the best docking score and good binding interactions with the active site of the bacterial target enzymes, DNA Gyrase B, topoisomerase and H. Pylori peptide deformylase. Finally, this study suggests that C. volkameriana seed extracts have the potential to be a natural source of antioxidants and antimicrobials. CVME, which is rich in phenolic compounds and has a wider spectrum of antimicrobial activity, could be a good candidate for further development. [Display omitted] • Citrus volkameriana seed extracts exhibit potential as natural antimicrobials. • 70 % aqueous methanol extract (CVME) showed a broader antibacterial activity. • In silico analysis identified CVME constituents with the potential to target bacteria. • CVME could be beneficial against skin infections and urinary tract infections. [ABSTRACT FROM AUTHOR]

Chlorogenic acids (CQAs), a large family of naturally occurring esters of quinic acid with one, two or even three cinnamic acids moieties and/or moieties of cinnamic acids derivatives, supplied to human organisms mainly with coffee, tea, fruit and vegetables, have been among the most frequently studied polyphenols. Of these, caffeic acid esters predominate, and 5-O-caffeoylquinic acid (5-CQA) is their main and most widespread representative. Recently performed studies have shown that after removing water from the aqueous solution of 5-CQA, its dry residue contains two hydrates of this compound, each consisting of two 5-CQA molecules and two molecules of H2O (2 × 5-CQA*2xH2O). The results presented in the paper not only define the characteristic features of 5-CQA but, more importantly, offer solid evidence that 5-CQA hydrates begin to form already in the aqueous solution of 5-CQA immediately after the dissolution of this compound and that the analogous process can occur in food products containing 5-CQA during their storage. Moreover, the performed experiments indicate the validity of the hypothesis that 5-CQA hydrates are formed by active collisions of 5-CQA molecules with monomeric/dimeric water molecules existing in trace amount in strongly associated aqueous systems. The presence of 5-CQA hydrates in liquid food products may have a significant impact on the assessment of some of their physicochemical properties as well as their biochemical activity. [ABSTRACT FROM AUTHOR]

Mulberries (Morus alba L.) contain rich and beneficial nutrients for human health. However, as a temperate adaptive species, high-temperature and high-humidity climate conditions may alter the main nutritional value of mulberries after their intended arrival in tropical regions, which has not yet been reported on. In this study, we analyzed the differences in morphology, sugars, organic acids, free amino acids, and aroma contents of five mulberry varieties in the tropics between two harvesting periods. The results show that the full-ripe fruits of M. laevigata W (TLM) have the longest fruit length (83.67 mm) and highest brix (25.90); meanwhile, full-ripe fruits of M. atropurpurea R (D10M) have the longest fruit transverse stem (20.00 ± 0.577 mm) and single-fruit weight (9.63 ± 0.033 g). Fructose, glucose, and sucrose were the main sugars, and oxalic acid, quinic acid, malic acid, and citric acid were the main organic acids in all varieties; in addition, the sucrose content in mature fruits of M. laevigata W. (BLM) and M. alba L. BZZ (BZM) was significantly higher than other sugars. Twenty free amino acids were detected in all five varieties and asparagine was the main free amino acid. A total of 100 volatile compounds were identified, including 31 esters, 20 aldehydes, 14 hydrocarbons, 11 alcohols, 10 acids, 6 ketones, and 8 others. Although the main components of five mulberry full-ripe fruits were significantly higher than the green-ripe fruits, gamma-amino butyric acid and a few other components were otherwise. The research results show that the tropical climate conditions could increase the main nutritional components of mulberries, but the specific molecular regulatory mechanisms need to be further analyzed. [ABSTRACT FROM AUTHOR]

Changes in the different stages of fruit processing are becoming a differentiating factor in coffee quality. Currently, generating delays in the processing of the fruit, that is, reserve, is a practice that can modify the sensory profile of the beverage. In this study, the fruit was reserved in three stages of maturity, two temperatures (15° and 20°C) and at two timepoints (24 and 48 h), establishing its chemical composition and sensory characteristics using analytical techniques such as liquid and gas chromatography. The state of maturity 1 showed an effect on malic and quinic acids due to the interaction of temperature and reserve time, while stage of maturity 3 showed an effect on glucose and fructose. The state of maturity 2 showed an effect of the reserve time on the same compounds of states 1 and 3, in addition to the content of defective beans and sucrose. The sensory quality expressed as the total SCA (Specialty Coffee Association) score and the attributes did not show treatments effect, the reserve of the fruit under the evaluated conditions presents an effect on the descriptors of the flavor. Extending the fruit reserve time from 24 to 48 h showed an increase in the groups of flavor descriptors associated with fruit and red fruits from 33.33 to 66.66% and from 34.04 to 65.95%. This implies that the constituent parts of the fruit such as the exocarp and mesocarp interact with the bean, leading to changes in the chemical composition and the improvement of the qualitative complexity of the sensory quality. This is a consequence of the increase in the frequency of the flavor descriptors of the fruit and red fruit category. [ABSTRACT FROM AUTHOR]

Rhododendron capitatum community expansion is a major threat to alpine meadow. Allelopathy is an important mediator in managing relationships between plants in natural ecosystems. However, allelopathy and specific allelochemicals of R. capitatum have not been studied yet. In this study, the allelopathy of the foliage litter of R. capitatum was explored on Elymus nutans, Poa pratensis and Medicago ruthenica, and the chemical composition and their allelopathy were studied. The results showed that the aqueous extract of the foliage litter of R. capitatum had an allelopathy of "low concentration promotion and high concentration inhibition" on the germination of E. nutans, P. pratensis, and M. ruthenica. Organic acids, fatty acids, terpenes, phenols, and phenolic acid compounds were identified, with Zanamivir (77.81%), alpha-linolenic acid (18%), Kaurenoic acid (23.50%), 4-hydroxyphenylglycolic acid (21.54%), and Quinic acid (28.24%) having the highest relative content, and all five compounds showed significantly inhibitory effects on seed germination and seedling growth of E. nutans, P. pratensis, and M. ruthenica, which further suggests that the five compounds are the critical allelochemicals for negative allelopathy of R. capitatum. These results highlight the crucial role of inhibitory allelopathy produced by R. capitatum in the establishment and expansion of its populations. [ABSTRACT FROM AUTHOR]

Extracts from locally grown aromatic plants can enhance the geographical characteristics and microbial stability of craft beers, which are often not pasteurized or filtered. Here, the chemical and antimicrobial properties of aqueous extracts from leaves of Myrtus communis L., Pistacia lentiscus L., Artemisia arborescens L., and floral wastes of Crocus sativus L., all cultivated in Sardinia (Italy), were assessed. P. lentiscus extract had the highest polyphenol content (111.20 mg GAE/g), followed by M. communis (56.80 mg GAE/g), C. sativus (32.80 mg GAE/g), and A. arborescens (8.80 mg GAE/g). Notably, only the M. communis extract demonstrated significant inhibitory activity against pathogenic and spoilage microorganisms, with minimum inhibitory concentrations of 0.18, 0.71, and 1.42 mg GAE/mL against Staphylococcus aureus, Lactiplantibacillus plantarum, and Lacticaseibacillus casei, respectively. Additionally, it reduced the growth of Levilactobacillus brevis and Fructilactobacillus lindneri at concentrations of 0.35 and 0.71 mg GAE/mL, respectively. Based on its significant antimicrobial activity, the M. communis extract was further characterized using high-resolution mass spectrometry, revealing high abundances of nonprenylated phloroglucinols, flavonoid derivatives (myricetin), and quinic acids. Lastly, adding M. communis extract (2.84 mg GAE/mL) to commercial beer effectively prevented the growth of L. brevis and F. lindneri, showing its potential to avoid beer's microbial spoilage. [ABSTRACT FROM AUTHOR]

Carissa carandas L. (Apocynaceae) is widely distributed in tropical and subtropical regions of Asia including Pakistan, India, Afghanistan, and Sri Lanka. C. carandas is considered as an integral component of traditional medicinal systems to combat several health ailments. The present study aimed to assess this plant's phytochemical contents and biological potential by performing sequential extraction, adopting a bioassay-guided approach. C. carandas powder was extracted with n-hexane to remove fatty substances and then residues were sequentially extracted with dichloromethane, methanol, and 50% methanol. All the sequential crude extracts were evaluated for phytochemical contents (total phenolics, flavonoids, and anthocyanins), in vitro antioxidant activity (FRAP, DPPH), in vitro anti-inflammatory activity (serum and egg albumin denaturation), in vivo anti-inflammatory activity (carrageenan- and formaldehyde-induced paw edema), and in vitro antimicrobial activity. Active crude extract was then partitioned using the liquid-liquid separation method followed by further separation of the active fraction by RP-HPLC. The active fraction was then subjected to LC-ESI-MS/MS analysis for tentative identification of bioactive metabolites responsible for its bioactive properties, followed by HPLC quantification. The analysis revealed methanol extract to have more phytochemical contents, radical scavenging properties, reduced inflammation in both models (in vitro and in vivo), and antimicrobial properties against urinary tract infection-causing agents as compared to dichloromethane and 50% methanol extracts. The ethyl acetate fraction obtained after liquid-liquid partitioning (LLP) of the active methanol extract exhibited more activity as compared to C. carandas methanol extract. RP-HPLC sub-fractionation yielded seven sub-fractions, but a slight decrease in biological potential was recorded. Therefore, LLP fraction B was subjected to further analysis. LC-ESI-MS/MS analysis led to the tentative identification of phenolic acids (chlorogenic acid, quinic acid), flavonoids (quercetin), and anthocyanins (peonidin-3-arabinoside, delphinidin-3-galactoside, delphinidin-3-rutinoside) in the active LLP ethyl acetate fraction. Chlorogenic acid, ellagic acid, and quinic acid were quantified as 17.6 µg/mg, 5.90 µg/mg, and 3.30 µg/mg, respectively, on a dry weight basis by HPLC. C. carandas may be considered a promising therapeutic plant, and the results of the current study provide more evidence to support the assertions made in ancient medical traditions. These findings highlight its promising applications in health, medicine, cosmetics, preservatives, and as a natural coloring agent. [ABSTRACT FROM AUTHOR]

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This study investigates the biochemical composition and biological properties of different parts (leaves, roots, and twigs) of two Cistus species (Cistus monspeliasis and Cistus parviflorus). The extracts were analysed using UHPLC-MS/MS to determine their chemical profiling. A range of antioxidant assays were performed to evaluate the extract's antioxidant capabilities. The enzyme inhibition studies focused on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-amylase, and α-glucosidase and tyrosinase. In addition, the study examined the antimicrobial effects on different bacteria and yeasts and evaluated the toxicity using the MTT assay. Quinic acid, citric acid, gallic acid, catechin, quercetin derivatives, kaempferol, myricetin, ellagic acid, prodelphinidins, procyanidins, scopoletin, and flavogallonic acid dilactone are the main bioactive compounds found in both species. In enzyme inhibition assays, C. monspeliasis roots exhibited significant activity against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), with the values of 2.58 ± 0.02 mg GALAE/g and 11.37 ± 1.93 mg GALAE/g, respectively. Cytotoxicity studies showed mostly weak toxicity, with some samples moderately reducing viability in RAW and HepG2 cells. These findings underscore the diverse biochemical profiles and bioactive potential of Cistus species, suggesting their utility as natural sources of antioxidants and enzyme inhibitors for pharmaceutical and nutraceutical development. [ABSTRACT FROM AUTHOR]

BACKGROUND: Foods contain lipids that are easily susceptible to oxidation, which can modify their sensory properties. Although these compounds provide characteristic flavours and odours, there are also unwanted compounds, such as volatile secondary oxidation products, representing a recurring problem for both the industry and consumers. Synthetic antioxidants are often employed to prevent this but their chronic consumption can be detrimental to human health. The present study evaluates the antioxidant potential of ethanolic extracts from Ganoderma resinaceum and Phlebopus bruchii using an accelerated oxidation test. RESULTS: The composition profile of the extracts was investigated, identifying the presence of tryptophan, quinic acid, caffeic acid and 3,4‐dihydroxyphenylglycol‐phenolic acid. The antioxidant capacity of the extracts was compared with that of butylated hydroxytoluene (BHT) in sunflower oil that was oven‐heated at 60 °C. Chemical (peroxide value, p‐anisidine value and conjugated dienes) and volatile (2‐octenal, 2‐heptenal and 2,4‐decadienal) indicators were measured over 28 days. The peroxide value decreased for both extracts at a similar level to that of BHT 0.02% w/w, and conjugate dienes decreased in the presence of G. resinaceum 0.1% w/w. Meanwhile, p‐anisidine exhibited a slightly greater decrease for P. bruchii 0.1% w/w than for BHT. The sample with 0.1% w/w of extracts showed a reduction in volatile secondary oxidation compounds, indicating significant antioxidant activity. CONCLUSION: Based on these results, both extracts could be proposed as potential antioxidants in foods with a high lipid content. © 2024 Society of Chemical Industry. [ABSTRACT FROM AUTHOR]

The emergence of antimicrobial resistance has led to an urgent need for novel antimicrobial drugs. This study aimed to determine the antioxidant and antimicrobial potentials in silico and in vitro of Pandanus amaryllifolius Roxb. ethanolic extract. The extracts were subjected to gas chromatography-mass spectrometry (GC-MS) analysis to identify the compounds. In silico antimicrobial studies were performed to gain insights into the possible mechanism of action of the active compounds as antimicrobials. The antimicrobial activities of the ethanolic extracts were assessed using the agar well diffusion method against the Surabaya strain of Escherichia coli and Staphylococcus aureus. Antioxidant properties of the extract were done using DPPH (2,2-diphenyl-1-picryl-hydrazyl-hydrate) and ABTS [2,2'-azino-bis (3-ethylbenzthiazoline-6-sulphonic acid)] inhibition assays. The phytochemical screening revealed that the extract has high flavonoids and polyphenols contents. The GC-MS analysis detected the presence of 52 bioactive substances, with n-hexadecanoic acid, 9, 12, 15-octadecatrienoic acid, benzofuran 2,3-dihydro-. quinic acid, neophytadiene as major compound. Molecular docking studies showed that these compounds have a high binding affinity towards the target proteins, thereby inhibiting their activities. The ethanolic extract of P. amaryllifolius Roxb. exhibited antioxidant and antimicrobial activities. The IC50 were 11.96 ± 4.01 μg/ml and 26.18 ± 7.44 μg/ml for DPPH and ABTS. The diameters of inhibition zones (DIZ) and percentage of inhibition (PI) were calculated and varied for every single pathogen 16.44 ± 1.21mm/66.76 ± 4.92% (50%) and 21.22 ± 0.11mm/82.49 ± 3.91% (50%) for E. coli and S. aureus (DIZ/PI) respectively. Overall, this study provides information on the mechanism responsible for P. amaryllifolius Roxb. extract as a natural antimicrobe and lays the foundation for further studies to isolate and characterize the active compounds as antimicrobial candidates. [ABSTRACT FROM AUTHOR]

Goji, a renowned traditional Chinese medicine and food source, is characterized by a long fruiting period. This study was conducted to investigate the variations in nutritional quality of goji berries across different harvest stages by utilizing widely targeted metabolome and transcriptome. The results showed that goji berries of the first harvest stage had advantages in terms of size and metabolic levels, and there was little difference in sugars and organic acids levels. Within significantly enriched phenylpropanoid and flavonoid pathways, chlorogenic acid, and its positional isomers (neochlorogenic acid and cryptochlorogenic acid) increased significantly along with P‐coumaroyl quinic acid as the harvest stages progressed, while the other bioactive DEMs including scopoletin, scopolin, naringenin, and pruning exhibited a decreasing trend. The key DEGs encoding PAL, HCT, 4CL, C4H, TOGT1, and C12RT1 were suggested to regulate the variations of these DEMs. Furthermore, six oxidative metabolites enriched in alpha‐linolenic acid and linoleic acid metabolism pathways all peaked at the second harvest stage. Climate or plant weakening is suggested as potential factors influencing the metabolic and transcriptomic changes in goji berries. This study provides a fresh perspective on understanding the accumulation of metabolites and their molecular mechanisms in goji at different harvest stages in the Qaidam Basin and can be used to guide goji production and processing. [ABSTRACT FROM AUTHOR]

Natural products received much attention as an environmentally beneficial solution for pest management. Therefore, the extracts of invasive silverleaf nightshade (Solanum elaeagnifolium Cav.) weeds using their berries parts (seeds, peels and mucilage) supported by bioassay-guided fractionation were tested against both the greater wax moth (Galleria mellonella) and Erwinia carotovora pv. carotovora causes of the blackleg of potatoes. The seeds and peels of S. elaeagnifolium were successively extracted by maceration using dichloromethane (DCM), ethyl acetate (EtOAc), and ethanol (EtOH), respectively. While, its mucilage was extracted using EtOAc. The successive EtOH extract of the plant seeds had promising inhibition efficacy and the best minimal inhibition concentration (MIC) of 50 µg/ml against E. Carotovora amongst other extracts (DCM and EtOAc of the plant berries parts). Depending on dose response activity, EtOH extract had G. mellonella larval mortality and pupal duration rates (LC50; 198.30 and LC95; 1294.73 µg/ml), respectively. Additionally, this EtOH extract of seeds was fractionated using preparative TLC to three characteristic bands. The insecticidal and bacterial activities of these isolated bands (SEA, SEB, and SEC) were evaluated at a dose of 100 µg/ml, causing mortality by 48.48, 62.63 and 92.93% (G. mellonella larvae) and inhibition by 15.22, 0.00 and 31.66 mm (E. carotovora), respectively. Moreover, the separated major three bands were tentatively identified using LC-ESI-MS analysis revealing the presence of two phenolic acids; chlorogenic acid (SEA) and dicaffeoyl quinic acid (SEB) in addition to one steroidal saponin (SEC) annotated as borassoside E or yamoscin. Finally, the plant seeds' successive EtOH extract as well as its active constituents, exhibited potential broad-spectrum activity and the ability to participate in future pest management initiatives. A field study is also recommended to validate its bio-efficacy against selected pests and to develop its formulations. [ABSTRACT FROM AUTHOR]

Currently, one-third of global food production, accounting for 1.3 billions tons, goes wasted due to major humanitarian and environmental challenges. In such a scenario, the circular bioeconomy model stands as an innovative solution by promoting sustainable production, utilizing agri-food waste, and converting non-renewable products into valuable resources. Here, the circular bioeconomy concept was applied on a previously obtained chestnut burr extract (agri-food waste) composed of gallic acid, quinic acid, protocatechuic acid, brevifolin carboxylic acid, and ellagic acid to evaluate its antimicrobial activity against four bacterial opportunistic pathogens (Enterococcus faecalis, Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli). Our results evidenced a modest but measurable antibacterial activity against Enterococcus faecalis, with a minimum inhibitory concentration (MIC) of 64 μg/mL. In silico studies allowed for identifying the potential molecular target, supporting the underlying antibacterial activity of the active principle and providing useful molecular findings regarding their interaction. In this study, we show a robust and comprehensive in vitro and in silico pipeline aimed at the identification of novel antibacterial scaffolds taking advantage of agri-food waste. [ABSTRACT FROM AUTHOR]

Australian finger lime (Citrus australasica L.) has become increasingly popular due to its potent antioxidant capacity and health-promoting benefits. This study aimed to determine the chemical composition, antibacterial characteristics, and mechanism of finger lime extract. The finger lime extracts were obtained from the fruit of the Australian finger lime by the ethanol extraction method. The antibacterial activity of the extract was examined by detecting the minimum inhibitory concentration (MIC) for two Gram-positive and four Gram-negative bacterial strains in vitro, as well as by assessing variations in the number of bacteria for Candidatus Liberibacter asiaticus (CLas) in vivo. GC-MS analysis was used to identify the antibacterial compounds of the extract. The antibacterial mechanisms were investigated by assessing cell permeability and membrane integrity, and the bacterial morphology was examined using scanning electron microscopy. The extract demonstrated significant antibacterial activity against Staphylococcus aureus, Bacillus subtilis, and Gram-negative bacterial species, such as Escherichia coli, Agrobacterium tumefaciens, Xanthomonas campestris, Xanthomonas citri, and CLas. Among the six strains evaluated in vitro, B. subtilis showed the highest susceptibility to the antimicrobial effects of finger lime extract. The minimum inhibitory concentration (MIC) of the extract against the tested microorganisms varied between 500 and 1000 μg/mL. In addition, the extract was proven effective in suppressing CLas in vivo, as indicated by the lower CLas titers in the treated leaves compared to the control. A total of 360 compounds, including carbohydrates (31.159%), organic acid (30.909%), alcohols (13.380%), polyphenols (5.660%), esters (3.796%), and alkaloids (0.612%), were identified in the extract. We predicted that the primary bioactive compounds responsible for the antibacterial effects of the extract were quinic acid and other polyphenols, as well as alkaloids. The morphology of the tested microbes was altered and damaged, leading to lysis of the cell wall, cell content leakage, and cell death. Based on the results, ethanol extracts from finger lime may be a fitting substitute for synthetic bactericides in food and plant protection. [ABSTRACT FROM AUTHOR]

Copyright of Food Research & Development is the property of Food Research & Development Editorial Department and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

\nHIGHLIGHTSAllium dictyoprasum C.A. Meyer ex Kunth (A. dictyoprasum) underwent comprehensive analysis, encompassing quantum chemical computations to assess its radical scavenging potential, chemical and elemental composition, total phenolic content, and antimicrobial activity. Experimental and theoretical investigations focused on elucidating the radical scavenging properties of polyhydroxy phenolic compounds present in the plant. Quantum chemical calculations were employed to evaluate the antioxidants employed to evaluate selected polyhydroxy phenolic molecules including flavonoids, hydrocinnamic acid derivatives, and hydroxybenzoic acid derivatives from natural sources. Thermochemical parameters of these compounds were calculated by the B3LYP/6–311 G++(d,p) level in both gas and solvent phases to elucidate the radical scavenging mechanism including hydrogen atom transfer (HAT), single electron transfer followed by proton transfer (SET-PT) and sequential proton loss electron transfer (SPLET). Analysis of A. dictyoprasum extracts obtained via various extraction methods revealed the presence of several major compounds, including dimethyl trisulfide, 3,5-Dihydroxy-6-methyl-2,3-dihydro-4 H-pyran-4-one, 2-Methoxy-4-vinylphenol, Dimethyl phthalate, Methyl palmitate, Methyl oleate, Methyl stearate, (9Z)-9-Octadecenamide. Notably, Malic acid and Quinic acid were identified as major compounds, with concentrations of 43.31 and 17.47 mg kg−1 extract, respectively, based on LC-MS/MS analysis. The total phenolic content of the extract was measured as 17.83 mg gallic acid/mL, while its free radical scavenging activity was 80.89% per mg/mL. Elemental analysis revealed significant levels of Mg, K, Na, Fe, and P, with minor concentrations of elements such as Ti, Tl, B, and Be. Furthermore, A. dictyoprasum exhibited notable antibacterial activity against various bacteria strains, surpassing the efficacy of some commercial antibiotics.Quantum chemical calculations of radical scavenging analysis were performed.Thermochemical parameters were calculated by the B3LYP/6–311 G++(d,p) level.Radical scavenging mechanism was evaluated based on HAT, SET-PT and SPLET.Chemical composition of Allium dictyoprasum C.A. Meyer ex Kunth was determined.A. dictyoprasum has a greater antibacterial effects than some commercial antibiotics. [ABSTRACT FROM AUTHOR]

The study aimed to comprehensively identify the phenolic fingerprint of Morina persica L. (Caprifoliaceae) and evaluate its various biological activities. LC-MS/MS analysis of 70% Morina persica methanol extract revealed the presence of 27 phytochemicals, with quinic acid, chlorogenic acid, and rutin being the major phenolics. The antioxidant, antibacterial, antiproliferative, and cytotoxic activities were evaluated for biological screening. The results showed that the methanolic extract of M. persica has a moderate DPPH radical scavenging and ferric-reducing capacity, indicating antioxidant activity. M. persica was observed to have a sufficient antiproliferative effect against cancer cells and low cytotoxicity against normal cells. Moreover, M. persica demonstrated good antibacterial activity against Clostridium perfringens, Enterococcus faecalis, and Escherichia coli. These data suggest that the methanolic extract of M. persica could be considered both an industrial source of quinic acid and a potential biologically active ingredient for developing drug formulations. [ABSTRACT FROM AUTHOR]

The high biological activity of cultivated and wild purslane offers broad possibilities for utilizing this plant in medicine and human nutrition. To assess the prospects of obtaining new functional food products based on the wild form of P. oleracea L., foliar biofortification of this species with sodium selenate (VI) was carried out, and the changes in leaf and seed biochemical characteristics were investigated. Selenium significantly enhanced plant yield, photosynthetic pigments and the ascorbic acid content, and showed a tendency to seed productivity increase. The application of selenium augmented quinic acid content in leaves by 1.7 times but did not affect the oxalic acid content. Oxalic acid prevailed in wild purslane and quinic acid in cultivated purslane (cv. Makovey). Seed oil in Se-enriched purslane was characterized by a two-fold decrease in saturated fatty acids and squalene and 2.3-fold decrease in malonic dialdehyde content, along with a 1.4-fold increase in ascorbic acid. Selenium supplementation resulted in an increase in total lipids and mono- and di-unsaturated fatty acids and did not affect the concentration of ω-3 fatty acids and sterol accumulation. Among the identified sterols, only the minor ones (fucosterol, 7-stigmasterol and ∆7-avenosterol) showed a slight decrease upon Se supply. Compared to seeds of cv. Makovey, wild purslane seeds had higher levels of antioxidant activity by a factor of 2 and of polyphenols by a factor of 3.2 but did not differ significantly in oil fatty acid composition. The results indicate the importance of wild purslane leaves/seeds both fortified and not fortified with Se in human nutrition and medicine. [ABSTRACT FROM AUTHOR]

Copyright of Farmacia is the property of Societatea de Stiinte Farmaceutice Romania and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Kombucha is a Far East-originated fermented beverage that is valued by people for its health benefits worldwide. Fruit and fruit juice of the gilaburu plant is used in traditional medicine. In this study, fruit juice of gilaburu is used in a 21-day kombucha fermentation. Sensory properties, microbiological profile, total phenolic and flavonoid content, and antioxidant and antibacterial activity of the prepared beverages for days 0, 7, 14, and 21st were investigated. In addition, chemical compound profiles were determined using LC-MS/MS on the 7th and 14th days. When evaluated in general, gilaburu-flavoured kombucha yielded better results than traditional kombucha in terms of microbiological analysis, antibacterial activity, total phenolic content, and sensory properties. In addition, the LC-MS/MS analysis of the beverages revealed fourteen active compounds. Notably, on the 7th day, gilaburu-flavoured kombucha exhibited elevated levels of fumaric acid, quinic acid, chlorogenic acid, catechin, 4-OH-benzoic acid, epicatechin, vitexin and hesperidin compared to traditional kombucha. [ABSTRACT FROM AUTHOR]

Breast cancer, the most prevalent cancer in women globally, is characterized by a low survival rate. Euphorbia hirta is predicted to exhibit promising antibreast cancer properties. This study aimed to explore the active compounds present in the ethanol extract of E. hirta and elucidate their mechanism for countering breast cancer using computational and experimental methodologies. The active components of the E. hirta ethanol extract were determined using Liquid chromatography high-resolution mass spectrometry. Furthermore, the identified active compounds were subjected to computational analysis involving drug-likeness screening, membrane permeability, bioactivity, toxicity assessment and protein target prediction using QSAR principles followed by molecular docking and molecular dynamics simulations. In vitro experimental investigations included toxicity, rhodamine, apoptosis, cell migration and colony formation assays. These findings indicated that six compounds with drug-like properties and physicochemical features exhibited bioactivity relevant to breast cancer. These compounds, namely, quercetin, luteolin, gallic acid, gentisic acid, quinic acid and caffeic acid, target proteins associated with breast cancer progression, including EGFR, KDR, SRC, FASN, CDK4 and ERBB2. According to molecular docking and dynamics studies, these active compounds bind securely, potentially inhibiting their target protein activity. The ethanol extract of E. hirta was toxic and selective for T47D cells. The extract induced apoptosis and loss of mitochondrial membrane potential in T47D cells, restraining their migration and colony formation. The research findings demonstrate that the extract of E. hirta effectively antagonizes breast cancer by inducing apoptosis, suppressing cellular migration, and inhibiting cell colony formation through the targeted modulation of associated proteins. [ABSTRACT FROM AUTHOR]

Introduction: Abnormal colour of plasma is infrequently identified during processing of blood and blood components. Common reasons include haemolysis, medications or diet related. Sometimes, the aetiology is unknown. It is a dilemma for every transfusion specialist encountering this situation. Effort should be made to find the aetiology of discolouration of plasma, so that the blood donor can be suitably advised, and a decision can be made regarding the use of blood products. Materials and Methods: We encountered two cases of orange coloured (amber coloured) plasma in our regular blood donors. All the common reasons for abnormal plasma discolouration were evaluated, including the donor's medication and diet. Spectrophotometry along with Liquid Chromatography–Mass Spectrometry (LC–MS) in both the positive and negative ion modes with literature search helped in arriving at a conclusion. Results: Haemolysis was ruled out by estimation of plasma haemoglobin. Spectrophotometric analysis of the coloured plasma samples showed a peak, which was absent in normal coloured plasma. This was further investigated using Liquid Chromatography–Mass Spectrometry (LC–MS) in both the positive and negative ion modes. There was no significant difference between the coloured and normal samples in the positive ion mode. But in the negative ion mode, there was a peak observed at 110.5 and 191 m/z value in the profile of the coloured samples in comparison with the normal sample. Literature review shows the peak was corresponding to the presence of quinic acid residues—a substance found in coffee, and potentially excreted into the plasma of an individual with high coffee consumption. Conclusion: Reporting unusual causes associated with plasma discolouration is important. Present guidelines forbid issue of abnormal coloured blood and blood components for transfusion. Further such reports are necessary to confirm the safety of recipients receiving such units. This is the first case report to our knowledge of quinic acid discolouring blood products. [ABSTRACT FROM AUTHOR]

[Objective] The paper aimed to comprehend the expression characteristics of cinnamyl alcohol dehydrogenase from Pinus yunnanensis and its involvement in lignin biosynthesis. (Method) The relative concentrations of 18 specific small molecules within the lignin pathway were assessed in the stems, buds, and needles of one-year-old P. yunnanensis. Additionally, the CAD genes of P. yunnanensis were identified, cloned and bioinformatics analyzed by comprehensive analysis of transcriptome data. RT-qPCR was employed to examine their expression patterns across various tissues. (Result] The findings revealed that among the 18 lignin pathway molecules, the relative con- tent of 5-0-caffeoylshikimic acid, 5-0-p-coumaroyl shikimic acid, and caffeic acid were higher in the buds, while the relative content of 3- O-p-coumaroyl quinic acid, p-coumaric acid, ferulic acid, coniferylaldehyde, L-phenylalanine, coniferyl alcohol, p-coumaryl alcohol, L- (-)-tyrosine, sinapinaldehyde were higher in the stems. In addition, the relative content of coniferin, p-coumaraldehyde, caffeic aldehyde, and syringin were higher in the needles. Four members of the CAD family were screened from the transcriptome of P. yunnanensis, and phylogenetic analysis showed that PyCAD-3 of P. yunnanensis was homologous to AtCADI, and PyCAD-1, PyCAD-2 and PyCAD-4 were closely related to CAD of Pinus, AtCAD4 and ALCAD5. The results of correlation analysis showed that the PyCAD-1 and PyCAD-2 were closely related to small molecules in the lignin pathway upstream and downstream. The open reading frame of PyCAD-1 and PyCAD-2 was 570 and 1083 bp, respectively, and the molecular weights of PyCAD-1 and PyCAD-2 were 20.38 and 39.30 kDa, respectively. The results of RT-qPCR showed that the relative expression of PyCAD-1 was the highest in bud and tender stem, and PyCAD-2 was the highest in tender stem. [Conclusion] It is speculated that PyCAD-2 may be directly involved in lignin biosynthesis, while PyCAD-1 may have some functional redundancy. The study provides a theoretical basis for studying CAD genes family and genes related to the lignin metabolism pathway of P. yunnanensis. [ABSTRACT FROM AUTHOR]

Abstract Background Quinic acid (QA) and its derivatives have good lipid-lowering and hepatoprotective functions, but their role in atherosclerosis remains unknown. This study attempted to investigate the mechanism of QA on atherogenesis in Apoe−/− mice induced by HFD. Methods HE staining and oil red O staining were used to observe the pathology. The PCSK9, Mac-3 and SM22a expressions were detected by IHC. Cholesterol, HMGB1, TIMP-1 and CXCL13 levels were measured by biochemical and ELISA. Lipid metabolism and the HMGB1-SREBP2-SR-BI pathway were detected by PCR and WB. 16 S and metabolomics were used to detect gut microbiota and serum metabolites. Results QA or low-frequency ABX inhibited weight gain and aortic tissue atherogenesis in HFD-induced Apoe−/− mice. QA inhibited the increase of cholesterol, TMA, TMAO, CXCL13, TIMP-1 and HMGB1 levels in peripheral blood of Apoe−/− mice induced by HFD. Meanwhile, QA or low-frequency ABX treatment inhibited the expression of CAV-1, ABCA1, Mac-3 and SM22α, and promoted the expression of SREBP-1 and LXR in the vascular tissues of HFD-induced Apoe−/− mice. QA reduced Streptococcus_danieliae abundance, and promoted Lactobacillus_intestinalis and Ileibacterium_valens abundance in HFD-induced Apoe−/− mice. QA altered serum galactose metabolism, promoted SREBP-2 and LDLR, inhibited IDOL, FMO3 and PCSK9 expression in liver of HFD-induced Apoe−/− mice. The combined treatment of QA and low-frequency ABX regulated microbe-related Glycoursodeoxycholic acid and GLYCOCHENODEOXYCHOLATE metabolism in HFD-induced Apoe−/− mice. QA inhibited TMAO or LDL-induced HCAECs damage and HMGB1/SREBP2 axis dysfunction, which was reversed by HMGB1 overexpression. Conclusions QA regulated the gut-liver lipid metabolism and chronic vascular inflammation of TMA/TMAO through gut microbiota to inhibit the atherogenesis in Apoe−/− mice, and the mechanism may be related to the HMGB1/SREBP2 pathway.

With the increasing of aging population and the consumption of high-fat diets (HFD), the incidence of Alzheimer’s disease (AD) has skyrocketed. Natural antioxidants show promising potential in the prevention of AD, as oxidative stress and neuroinflammation are two hallmarks of AD pathogenesis. Here, we showed that quinic acid (QA), a polyphenol derived from millet, significantly decreased HFD-induced brain oxidative stress and neuroinflammation and the levels of Aβ and p-Tau. Examination of gut microbiota suggested the improvement of the composition of gut microbiota in HFD mice after QA treatment. Metabolomic analysis showed significant increase of gut microbial tryptophan metabolites indole-3-acetic acid (IAA) and kynurenic acid (KYNA) by QA. In addition, IAA and KYNA showed negative correlation with pro-inflammatory factors and AD indicators. Further experiments on HFD mice proved that IAA and KYNA could reproduce the effects of QA that suppress brain oxidative stress and inflammation and decrease the levels of of Aβ and p-Tau. Transcriptomics analysis of brain after IAA administration revealed the inhibition of DR3/IKK/NF-κB signaling pathway by IAA. In conclusion, this study demonstrated that QA could counteract HFD-induced brain oxidative stress and neuroinflammation by regulating inflammatory DR3/IKK/NF-κB signaling pathway via gut microbial tryptophan metabolites.

Background: In November 2019, the world faced a pandemic called SARS-CoV-2, which became a major threat to humans and continues to be. To overcome this, many plants were explored to find a cure. Methods: Therefore, this research was planned to screen out the active constituents from Artemisia annua that can work against the viral main protease Mpro as this non-structural protein is responsible for the cleavage of replicating enzymes of the virus. Twenty-five biocompounds belonging to different classes namely alpha-pinene, beta-pinene, carvone, myrtenol, quinic acid, caffeic acid, quercetin, rutin, apigenin, chrysoplenetin, arteannunin b, artemisinin, scopoletin, scoparone, artemisinic acid, deoxyartemisnin, artemetin, casticin, sitogluside, beta-sitosterol, dihydroartemisinin, scopolin, artemether, artemotil, artesunate were selected. Virtual screening of these ligands was carried out against drug target Mpro by CB dock. Results: Quercetin, rutin, casticin, chrysoplenetin, apigenin, artemetin, artesunate, sopolin and sito-gluside were found as hit compounds. Further, ADMET screening was conducted which represented Chrysoplenetin as a lead compound. Azithromycin was used as a standard drug. The interactions were studied by PyMol and visualized in LigPlot. Furthermore, the RMSD graph shows fluctuations at various points at the start of simulation in Top1 (Azithromycin) complex system due to structural changes in the helix-coil-helix and beta-turn-beta changes at specific points resulting in increased RMSD with a time frame of 50 ns. But this change remains stable after the extension of simulation time intervals till 100 ns. On other side, the Top2 complex system remains highly stable throughout the time scale. No such structural dynamics were observed bu the ligand attached to the active site residues binds strongly. Conclusion: This study facilitates researchers to develop and discover more effective and specific therapeutic agents against SARS-CoV-2 and other viral infections. Finally, chrysoplenetin was identified as a more potent drug candidate to act against the viral main protease, which in the future can be helpful. [ABSTRACT FROM AUTHOR]

Citrus reticulata dropped fruits are generally discarded as waste, causing environmental pollution and losses to farmers. In the present study, column chromatography has been used to isolate quinic acid (1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid) from the ethyl acetate fraction of a methanol extract of citrus fruits dropped in April. Quinic acid is a ubiquitous plant metabolite found in various plants and microorganisms. It is an important precursor in the biosynthesis of aromatic natural compounds. It was further derivatized into 3,4-o-isopropylidenequinic acid 1,5-lactone (QA1), 1,3,4,5-tetraacetoxycyclohexylaceticanhydride (QA2), and cyclohexane-1,2,3,5- tetraone (QA3). These compounds were further tested for their antibacterial potential against the foodborne pathogens Staphylococcus aureus, Bacillus spp., Yersinia enterocolitica, and Escherichia coli. QA[sub 1] exhibited maximum antibacterial potential (minimum inhibitory concentration; 80-120 µg/mL). QA1 revealed synergistic behavior with streptomycin against all the tested bacterial strains having a fractional inhibitory concentration index ranging from 0.29 to 0.37. It also caused a significant increase in cell constituent release in all the tested bacteria compared to the control, along with prominent biofilm reduction. The results obtained were further checked with computational studies that revealed the best docking score of QA1 (-6.30 kcal/ mol, -5.8 kcal/mol, and -4.70 kcal/mol) against β-lactamase, DNA gyrase, and transpeptidase, respectively. The absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis revealed that the drug-like properties of QA1 had an ideal toxicity profile, making it a suitable candidate for the development of antimicrobial drugs. [ABSTRACT FROM AUTHOR]

BACKGROUND: The objective of this study is to investigate the antiproliferative, antioxidant, antimicrobial, and enzyme activity capacities and phytochemical compositions of Thymus pectinatus (TP), Thymus convolutus (TC), which are endemic to Türkiye. Quantitative analysis of phenolic compounds in the extracts was conducted using liquid chromatography–tandem mass spectrometry, targeting 53 phenolic compounds. RESULTS: Rosmarinic acid, quinic acid, and cynaroside were identified as the major compounds, exhibiting quantitative variation in both extracts. The extracts had a high total phenolic content, with 113.57 ± 0.58 mg gallic acid equivalents (GAE)/g extract for TP and 130.52 ± 1.05 mg GAE/g extract for TC. Furthermore, although both extracts exhibited high total flavonoid content; the TP extract (75.12 ± 1.65 mg quercitin equivalents (QE)/g extract) displayed a higher flavonoid content than the TC extract (30.24 ± 0.74 mg QE/g extract) did. The extracts had a promising antiproliferative effect on C6, HeLa, and HT29 cancer cell lines with a less cytotoxic effect (10.5–14.2%) against normal cells. Both extracts exhibited very potent inhibitory activity against the xanthine oxidase enzyme, with half‐maximal inhibitory concentration values of respectively 2.07 ± 0.03 μg mL−1 and 2.76 ± 0.06 μg mL−1 and moderate activity against tyrosinase and α‐glucosidase. Docking simulations proved that rosmarinic acid and cynaroside, the major components of the extracts, were the most potent inhibitors of xanthine oxidase. According to antimicrobial activity results, the TC extract exhibited moderate activity against Staphylococcus aureus, and the TP extract had strong activity against both Enterococcus faecium and S. aureus. CONCLUSION: These findings emphasize the beneficial effects of the two endemic Thymus species on human health and suggest their potential use as plant‐derived bioactive agents. © 2024 Society of Chemical Industry. [ABSTRACT FROM AUTHOR]

The contents of organic acids (OAs) in tea beverage and their relationship with taste intensity have not been fully understood. In this work, a rapid (10 min for a single run) and sensitive (limits of quantification: 0.0044–0.4486 µg/mL) method was developed and validated for the simultaneous determination of 17 OAs in four types of tea, based on liquid chromatography‐tandem mass spectrometry with multiple reaction monitoring mode. The contents of 17 OAs in 96 tea samples were measured at levels between 0.01 and 11.80 g/kg (dried weight). Quinic acid, citric acid, and malic acid were determined as the major OAs in green, black, and raw pu‐erh teas, while oxalic acid and tartaric acid exhibited the highest contents in ripe pu‐erh tea. Taking the OAs composition as input features, a partial least squares regression model was proposed to predict the sourness intensity of tea beverages. The model achieved a root‐mean‐square error of 0.58 and a coefficient of determination of 0.84 for the testing set. The proposed model provides a theoretical way to evaluate the sensory quality of tea infusion based on its chemical composition. [ABSTRACT FROM AUTHOR]

This study explored the effects of soil acidification on degradation of Chinese hickory forest under field experimental conditions. Responses of plant nutrient absorption and non-targeted metabolomics based on LC-MS were analyzed to understand the mechanisms of Chinese hickory plant to acid resistance and susceptibility. In this field experiment, Chinese hickory plants were treated with CK (T1, control), nitrogen application (urea) (T2), and aluminum application (aluminum sulfate) (T3). Results showed that Al is the key toxic factor of acidification of soils planted with Chinese hickory. T2 and T3 treatments significantly inhibited absorption of nutrient elements (N, P, K, Ca, Mg, Cu, B and Zn) by Chinese hickory (except N in T2). The metabolomics data analysis showed that there were differences in plant metabolites between the experimental group (T2 and T3) and the control (T1), including p-coumaroyl quinic acid, chlorogenic acid, catechin, (+) germacrene A, myricetin 3-galactoside, and neoglucobrassicin. These metabolites may be the main regulators of Chinese hickory to soil acid stress or related to the effect of soil acidification on Chinese hickory resistance. KEGG metabolic pathway enrichment analysis showed that these differential metabolites were mainly enriched in four metabolic pathways: Flavonoid biosynthesis, Phenylpropanoid biosynthesis, Tyrosine metabolism, Stilbenoid, diarylheptanoid, and gingerol biosynthesis. This study provides a reference for metabolomics studies in Chinese hickory. [ABSTRACT FROM AUTHOR]

The chemical composition discrepancies of five sweet potato leaves (SPLs) and their phenolic profile variations during in vitro digestion were investigated. The results indicated that Ecaishu No. 10 (EC10) provided better retention capacity for phenolic compounds after drying. Furthermore, polyphenols were progressively released from the matrix as the digestion process proceeded. The highest bioaccessibility of polyphenols was found in EC10 intestinal chyme at 48.47%. For its phenolic profile, 3-, 4-, and 5-monosubstituted caffeoyl quinic acids were 9.75%, 57.39%, and 79.37%, respectively, while 3,4-, 3,5-, and 4,5-disubstituted caffeoyl quinic acids were 6.55, 0.27 and 13.18%, respectively. In contrast, the 3,4-, 3,5-, 4,5-disubstituted caffeoylquinic acid in the intestinal fluid after dialysis bag treatment was 62.12%, 79.12%, and 62.98%, respectively, which resulted in relatively enhanced bioactivities (DPPH, 10.51 μmol Trolox/g; FRAP, 8.89 μmol Trolox/g; ORAC, 7.32 μmol Trolox/g; IC50 for α-amylase, 19.36 mg/g; IC50 for α-glucosidase, 25.21 mg/g). In summary, desirable phenolic acid release characteristics and bioactivity of EC10 were observed in this study, indicating that it has potential as a functional food ingredient, which is conducive to the exploitation of the sweet potato processing industry from a long-term perspective. [ABSTRACT FROM AUTHOR]

The aim of this work was to investigate the influence of two locations and seven cultivars on the profiling of metabolites in organically grown plums (Prunus domestica L.) fruit in Norway. P, K, and Ca were most abundant in the studied fruits, while Ba and Sr formed a clear line between the locations. The most abundant sugars were glucose, fructose, sucrose, and sorbitol, which together accounted for up to 97.00%. Quinic acid and malic acid were the predominant organic acids, while chlorogenic acid, rutin, and kaempferol-3-O-glucoside were the most abundant polyphenols. Plums from Ullensvang were characterized by a higher content of minerals, sugars, organic acids, total polyphenol content (TPC), and radical scavenging activity (RSA), while plums from Telemark had a higher content of quantified polyphenols. The cultivar 'Mallard' had the highest mineral and radical scavenging activity, 'Opal' had the sweetest fruit, 'Jubileum' had the highest acidity, 'Excalibur' had the highest TPC content, and 'Valor' stored the highest content of quantified polyphenols, especially chlorogenic acid. These results provide comprehensive information on the chemical profiles of selected plum cultivars, suggesting that organic plums are a rich source of beneficial compounds that can have a positive impact on human health. [ABSTRACT FROM AUTHOR]

Astragalus mongholicus is a medicinal plant that is known to decrease in quality in response to continuous cropping. However, the differences in the root-associated microbiome and root exudates in the rhizosphere soil that may lead to these decreases are barely under studies. We investigated the plant biomass production, root-associated microbiota, and root exudates of A. mongholicus grown in two different fields: virgin soil (Field I) and in a long-term continuous cropping field (Field II). Virgin soil is soil that has never been cultivated for A. mongholicus. Plant physiological measurements showed reduced fresh and dry weight of A. mongholicus under continuous cropping conditions (i.e. Field II). High-throughput sequencing of the fungal and bacterial communities revealed differences in fungal diversity between samples from the two fields, including enrichment of potentially pathogenic fungi in the roots of A. mongholicus grown in Field II. Metabolomic analysis yielded 20 compounds in A. mongholicus root exudates that differed in relative abundance between rhizosphere samples from the two fields. Four of these metabolites (2-aminophenol, quinic acid, tartaric acid, and maleamate) inhibited the growth of A. mongholicus, the soil-borne pathogen Fusarium oxysporum, or both. This comprehensive analysis enhances our understanding of the A. mongholicus microbiome, root exudates, and interactions between the two in response to continuous cropping. These results offer new information for future design of effective, economical approaches to achieving food security. [ABSTRACT FROM AUTHOR]

Background: Quinic acid (QA) and its derivatives have good lipid-lowering and hepatoprotective functions, but their role in atherosclerosis remains unknown. This study attempted to investigate the mechanism of QA on atherogenesis in Apoe−/− mice induced by HFD. Methods: HE staining and oil red O staining were used to observe the pathology. The PCSK9, Mac-3 and SM22a expressions were detected by IHC. Cholesterol, HMGB1, TIMP-1 and CXCL13 levels were measured by biochemical and ELISA. Lipid metabolism and the HMGB1-SREBP2-SR-BI pathway were detected by PCR and WB. 16 S and metabolomics were used to detect gut microbiota and serum metabolites. Results: QA or low-frequency ABX inhibited weight gain and aortic tissue atherogenesis in HFD-induced Apoe−/− mice. QA inhibited the increase of cholesterol, TMA, TMAO, CXCL13, TIMP-1 and HMGB1 levels in peripheral blood of Apoe−/− mice induced by HFD. Meanwhile, QA or low-frequency ABX treatment inhibited the expression of CAV-1, ABCA1, Mac-3 and SM22α, and promoted the expression of SREBP-1 and LXR in the vascular tissues of HFD-induced Apoe−/− mice. QA reduced Streptococcus_danieliae abundance, and promoted Lactobacillus_intestinalis and Ileibacterium_valens abundance in HFD-induced Apoe−/− mice. QA altered serum galactose metabolism, promoted SREBP-2 and LDLR, inhibited IDOL, FMO3 and PCSK9 expression in liver of HFD-induced Apoe−/− mice. The combined treatment of QA and low-frequency ABX regulated microbe-related Glycoursodeoxycholic acid and GLYCOCHENODEOXYCHOLATE metabolism in HFD-induced Apoe−/− mice. QA inhibited TMAO or LDL-induced HCAECs damage and HMGB1/SREBP2 axis dysfunction, which was reversed by HMGB1 overexpression. Conclusions: QA regulated the gut-liver lipid metabolism and chronic vascular inflammation of TMA/TMAO through gut microbiota to inhibit the atherogenesis in Apoe−/− mice, and the mechanism may be related to the HMGB1/SREBP2 pathway. [ABSTRACT FROM AUTHOR]

In recent years, caffeic acid and its derivatives have received increasing attention due to their obvious physiological activities and wide distribution in nature. In this paper, to clarify the status of research on plant-derived caffeic acid and its derivatives, nuclear magnetic resonance spectroscopy data and possible biosynthetic pathways of these compounds were collected from scientific databases (SciFinder, PubMed and China Knowledge). According to different types of substituents, 17 caffeic acid and its derivatives can be divided into the following classes: caffeoyl ester derivatives, caffeyltartaric acid, caffeic acid amide derivatives, caffeoyl shikimic acid, caffeoyl quinic acid, caffeoyl danshens and caffeoyl glycoside. Generalization of their 13C-NMR and 1H-NMR data revealed that acylation with caffeic acid to form esters involves acylation shifts, which increase the chemical shift values of the corresponding carbons and decrease the chemical shift values of the corresponding carbons of caffeoyl. Once the hydroxyl group is ester, the hydrogen signal connected to the same carbon shifts to the low field (1.1~1.6). The biosynthetic pathways were summarized, and it was found that caffeic acid and its derivatives are first synthesized in plants through the shikimic acid pathway, in which phenylalanine is deaminated to cinnamic acid and then transformed into caffeic acid and its derivatives. The purpose of this review is to provide a reference for further research on the rapid structural identification and biofabrication of caffeic acid and its derivatives. [ABSTRACT FROM AUTHOR]

The purpose of this study was to determine the content of certain phenolic compounds, antioxidant activity, pressing efficiency, extract content, and sugars in celeriac juices obtained from the pulp after α-amylase treatment from Aspergillus oryzae. The test material consisted of peeled and unpeeled celery pulp kept at a temperature of 25 °C with and without the enzyme for a period of 30 and 60 min. The juices obtained from them were analyzed for the content of selected phenolic acids and flavonoids using the UPLC-PDA-ESI-MS/MS method, for antioxidant activity measured using the ABTS˙+ and DPPH˙ method, and for the total polyphenol content using the F-C method. Additionally, the juice pressing efficiency, the extract content using the refractometer method, and the sugar content using the HPLC method were checked. Significantly higher antioxidant activity, pressing yield, and average content of caffeic acid glucoside, quinic acid, kaempferol-3,7-di-O-glucoside, and chrysoeriol-7-O-apiosylglucoside were obtained in juices from peeled celery. Maceration of the pulp with amylase resulted in a significant reduction in antioxidant activity compared to control samples. An is-total increase of 17–41% in total flavonoid content was observed in all juices tested after treatment with the enzyme for 30 and 60 min, and the phenolic acid content increased by 4–41% after treatment of the pulp with amylase for 60 min. The 60 min holding of the pulp at 25 °C, including with the enzyme, was shown to decrease the antioxidant activity and the content of quinic acid, ferulic acid, and chrysoriol-7-O-apiose-glucoside in the juices tested compared to the samples held for 30 min, while the content of other phenolic acids and flavonoids increased. In addition, after 60 min of enzymatic maceration, the pressing yield of the juices increased. [ABSTRACT FROM AUTHOR]

Due to the extensive application of petroleum-based plastics as packaging materials and problems related to their degradation/recycling, developing new solutions in the field of novel biopolymer-based materials has become imperative. Natural substitutes for synthetic polymers (starch, cellulose, chitosan) require modifications that enable their processing and provide them with additional properties (i.e., mechanical strength, controlled biodeterioration, antimicrobial and antioxidative activity). The antioxidant activity of natural packaging materials still requires further investigation. In this research paper, novel materials used for packaging perishable food susceptible to oxidizing agents were designed from potato starch (NS) reinforced with antioxidants such as dialdehyde starch (DS) and caffeic acid (CA)/quinic acid (QA). The use of spectroscopic techniques (ATR-FTIR, Raman) and X-ray diffraction allowed the examination of the chemical structure and arrangement of the blend and confirmed the component interactions. The film surface was examined by AFM. DS, functioning as a cross-linker, enhanced the film barrier as well as the mechanical and thermal properties, and it promoted starch amorphization when blended with other antioxidants. The antioxidant activity of caffeic acid was greater than that of quinic acid. Dialdehyde starch improves elasticity, whereas acids (particularly caffeic acid) influence film stiffness. A high susceptibility to biodegradation is valuable for potential eco-friendly packaging applications. [ABSTRACT FROM AUTHOR]

Smooth-hound fillets were coated with skin gelatin extracted from the skin of the same fish. The gelatin coating solution was enriched with garden cress seed extract (GCSE) at 0.67 mg/g of gelatin. Analysis of the phenolic profile revealed that quinic acid (844 µg/g extract) was the major compound, likely to participate along with other phenolics in enhancing the preservative capacity of GCSE-gelatin coating. Interestingly, psychrophilic/mesophilic bacteria, MDA equivalent, TVB-N and FAA contents in the coated samples were significantly reduced compared to the control, proving the potential of the GCSE-enriched gelatin coating on extending fish fillet shelf-life. [ABSTRACT FROM AUTHOR]

Metabolite profiles of green beans of Coffea arabica var. sigararutang processed with three different treatments, including dry, semi-dry, and wet postharvest methods, were evaluated with 1H NMR spectroscopy analysis coupled with multivariate data analysis. Partial least square discriminant analysis (PLSDA) models successfully classified the green coffee beans based on the postharvest methods. S-plots of two-classes orthogonal projection to latent structure-discriminant analysis (OPLSDA) revealed that the dry-processed coffee was characterized with fructose and GABA, while the wet-processed coffee was represented by chlorogenic acids (caffeoyl quinic acids, CQAs), malic acid, and sucrose. Meanwhile, the green coffee beans processed with semi-dry postharvest method possessed the intermediary metabolite profile between the dry and the wet coffees. Generally, the semi-dry coffee exhibited the highest antioxidant activity compared to the other coffee samples. In this report, 1H NMR-based metabolic profiling successfully evaluated metabolite profiles of green coffee beans treated with three different postharvest methods and also revealed the characteristic compounds for each coffee samples. [ABSTRACT FROM AUTHOR]

Lactic acid bacteria (LAB) are widely applied for fermentation purposes in dairy and non-dairy food matrices with beneficial technological and health-promoting properties. This study describes the effect of two lactic acid bacteria, namely, Lactiplantibacillus paracasei SP5 and Pediococcus pentosaceus SP2, on the phenolic profiles, antioxidant activities, total phenolic content (TPC), carotenoid content, and sensorial profile of two different mixed fruit juices. After 48 h of fermentation, both LABs retained viability over 9 Log CFU/mL in both juices. The TPC, zeaxanthin + lutein, β-carotene content, and antioxidant activity (AA) were elevated for both LABs and mixed juices after 48 h of fermentation compared to control samples. Regarding the phenolic profile, both juices exhibited a significant decrease in chlorogenic acid levels, while quinic acid and tyrosol concentrations showed notable increases. [ABSTRACT FROM AUTHOR]

Chrysanthemum tea, a typical health tea with the same origin as medicine and food, is famous for its unique health benefits and flavor. The taste and sensory quality of chrysanthemum (Juhua) tea are mainly determined by secondary metabolites. Therefore, the present research adopted untargeted metabolomics combined with an electronic tongue system to analyze the correlation between the metabolite profiles and taste characteristics of different varieties of chrysanthemum tea. The results of sensory evaluation showed that there were significant differences in the sensory qualities of five different varieties of chrysanthemum tea, especially bitterness and astringency. The results of principal component analysis (PCA) indicated that there were significant metabolic differences among the five chrysanthemum teas. A total of 1775 metabolites were identified by using untargeted metabolomics based on UPLC-Q-TOF/MS analysis. According to the variable importance in projection (VIP) values of the orthogonal projections to latent structures discriminant analysis (OPLS-DA), 143 VIP metabolites were found to be responsible for metabolic changes between Huangju and Jinsi Huangju tea; among them, 13 metabolites were identified as the key metabolites of the differences in sensory quality between them. Kaempferol, luteolin, genistein, and some quinic acid derivatives were correlated with the "astringency" attributes. In contrast, l-(-)-3 phenyllactic acid and L-malic acid were found to be responsible for the "bitterness" and "umami" attributes in chrysanthemum tea. Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis showed that the flavonoid and flavonol biosynthesis pathways had important effects on the sensory quality of chrysanthemum tea. These findings provide the theoretical basis for understanding the characteristic metabolites that contribute to the distinctive sensory qualities of chrysanthemum tea. [ABSTRACT FROM AUTHOR]