Integrative Molecular Phenotyping
INTEGRATIVE MOLECULAR
PHENOTYPING
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY
DEPARTMENT OF MEDICAL
BIOCHEMISTRY AND BIOPHYSICS
WHEELOCK LABORATORY

PubMed

Berries in Microbiome-Mediated Gastrointestinal, Metabolic, and Immune Health

Sat, 04/02/2023 - 12:00
Curr Nutr Rep. 2023 Feb 4. doi: 10.1007/s13668-023-00449-0. Online ahead of print.ABSTRACTPURPOSE OF REVIEW: Current research has shown that berry-derived polymeric substrates that resist human digestion (dietary fibers and polyphenols) are extensively metabolized in the gastrointestinal tract dominated by microbiota. This review assesses current epidemiological, experimental, and clinical evidence of how berry (strawberry, blueberry, raspberry, blackberry, cranberry, black currant, and grapes) phytochemicals interact with the microbiome and shape health or metabolic risk factor outcomes.RECENT FINDINGS: There is a growing evidence that the compositional differences among complex carbohydrate fractions and classes of polyphenols define reversible shifts in microbial populations and human metabolome to promote gastrointestinal health. Interventions to prevent gastrointestinal inflammation and improve metabolic outcomes may be achieved with selection of berries that provide distinct polysaccharide substrates for selective multiplication of beneficial microbiota or oligomeric decoys for binding and elimination of the pathogens, as well as phenolic substrates that hold potential to modulate gastrointestinal mucins, reduce luminal oxygen, and release small phenolic metabolites signatures capable of ameliorating inflammatory and metabolic perturbations. These mechanisms may explain many of the differences in microbiota and host gastrointestinal responses associated with increased consumption of berries, and highlight potential opportunities to intentionally shift gut microbiome profiles or to modulate risk factors associated with better nutrition and health outcomes.PMID:36738429 | DOI:10.1007/s13668-023-00449-0

Machine learning predictive performance evaluation of conventional and fuzzy radiomics in clinical cancer imaging cohorts

Sat, 04/02/2023 - 12:00
Eur J Nucl Med Mol Imaging. 2023 Feb 4. doi: 10.1007/s00259-023-06127-1. Online ahead of print.ABSTRACTBACKGROUND: Hybrid imaging became an instrumental part of medical imaging, particularly cancer imaging processes in clinical routine. To date, several radiomic and machine learning studies investigated the feasibility of in vivo tumor characterization with variable outcomes. This study aims to investigate the effect of recently proposed fuzzy radiomics and compare its predictive performance to conventional radiomics in cancer imaging cohorts. In addition, lesion vs. lesion+surrounding fuzzy and conventional radiomic analysis was conducted.METHODS: Previously published 11C Methionine (MET) positron emission tomography (PET) glioma, 18F-FDG PET/computed tomography (CT) lung, and 68GA-PSMA-11 PET/magneto-resonance imaging (MRI) prostate cancer retrospective cohorts were included in the analysis to predict their respective clinical endpoints. Four delineation methods including manually defined reference binary (Ref-B), its smoothed, fuzzified version (Ref-F), as well as extended binary (Ext-B) and its fuzzified version (Ext-F) were incorporated to extract imaging biomarker standardization initiative (IBSI)-conform radiomic features from each cohort. Machine learning for the four delineation approaches was performed utilizing a Monte Carlo cross-validation scheme to estimate the predictive performance of the four delineation methods.RESULTS: Reference fuzzy (Ref-F) delineation outperformed its binary delineation (Ref-B) counterpart in all cohorts within a volume range of 938-354987 mm3 with relative cross-validation area under the receiver operator characteristics curve (AUC) of +4.7-10.4. Compared to Ref-B, the highest AUC performance difference was observed by the Ref-F delineation in the glioma cohort (Ref-F: 0.74 vs. Ref-B: 0.70) and in the prostate cohort by Ref-F and Ext-F (Ref-F: 0.84, Ext-F: 0.86 vs. Ref-B: 0.80). In addition, fuzzy radiomics decreased feature redundancy by approx. 20%.CONCLUSIONS: Fuzzy radiomics has the potential to increase predictive performance particularly in small lesion sizes compared to conventional binary radiomics in PET. We hypothesize that this effect is due to the ability of fuzzy radiomics to model partial volume effects and delineation uncertainties at small lesion boundaries. In addition, we consider that the lower redundancy of fuzzy radiomic features supports the identification of imaging biomarkers in future studies. Future studies shall consider systematically analyzing lesions and their surroundings with fuzzy and binary radiomics.PMID:36738311 | DOI:10.1007/s00259-023-06127-1

Screening of housekeeping genes in <em>Gelsemium elegans</em> and expression patterns of genes involved in its alkaloid biosynthesis

Sat, 04/02/2023 - 12:00
Sheng Wu Gong Cheng Xue Bao. 2023 Jan 25;39(1):286-303. doi: 10.13345/j.cjb.220345.ABSTRACTGelsemium elegans is a traditional Chinese herb of medicinal importance, with indole terpene alkaloids as its main active components. To study the expression of the most suitable housekeeping reference genes in G. elegans, the root bark, stem segments, leaves and inflorescences of four different parts of G. elegans were used as materials in this study. The expression stability of 10 candidate housekeeping reference genes (18S, GAPDH, Actin, TUA, TUB, SAND, EF-1α, UBC, UBQ, and cdc25) was assessed through real-time fluorescence quantitative PCR, GeNorm, NormFinder, BestKeeper, ΔCT, and RefFinder. The results showed that EF-1α was stably expressed in all four parts of G. elegans and was the most suitable housekeeping gene. Based on the coexpression pattern of genome, full-length transcriptome and metabolome, the key candidate targets of 18 related genes (AS, AnPRT, PRAI, IGPS, TSA, TSB, TDC, GES, G8H, 8-HGO, IS, 7-DLS, 7-DLGT, 7-DLH, LAMT, SLS, STR, and SGD) involved in the Gelsemium alkaloid biosynthesis were obtained. The expression of 18 related enzyme genes were analyzed by qRT-PCR using the housekeeping gene EF-1α as a reference. The results showed that these genes' expression and gelsenicine content trends were correlated and were likely to be involved in the biosynthesis of the Gelsemium alkaloid, gelsenicine.PMID:36738217 | DOI:10.13345/j.cjb.220345

Assessment of metabolic, mineral, and cytotoxic profile in pineapple leaves of different commercial varieties: A new eco-friendly and inexpensive source of bioactive compounds

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112439. doi: 10.1016/j.foodres.2022.112439. Epub 2022 Dec 31.ABSTRACTPineapple is among the most produced and consumed fruits worldwide, and consequently, its agroindustrial production/processing generates high amounts of agricultural waste, which are routinely discarded. Thus, it is crucial to seek alternatives to reuse this agricultural waste that are in high availability. Therefore, this work aims to evaluate the chemical composition of a specific residue (leaves) of seven commercial varieties of pineapples, to attribute high added value uses, and to evaluate its potential as a source of secondary metabolites and minerals. Thereby, twenty-eight metabolites were annotated by UPLC-QTOF-MSE, including amino acids, organic acids, and phenolic compounds. The following minerals were quantitatively assessed by ICP-OES: Zn (5.30-19.77 mg kg-1), Cr, Cd, Mn (50.80-113.98 mg kg-1), Cu (1.05-4.01 mg kg-1), P (1030.77-6163.63 mg kg-1) and Fe (9.06-70.17 mg kg-1). In addition, Cr and Cd (toxic materials) present concentration levels below the limit of quantification of the analytical method (LOQCr and LOQCd = 0.02 mg kg-1) for all samples. The multivariate analysis was conceived from the chemical profile, through the tools of PCA (principal component analysis) and HCA (hierarchical cluster analysis). The results show that pineapple leaves have similarities and differences concerning their chemical composition. In addition, the cytotoxicity assays of the extracts against tumor and non-tumor strains shows that the extracts were non-toxic. This fact can corroborate and enhance the prospection of new uses and applications of agroindustrial co-products from pineapple, enabling the evaluation and use in different types of industries, such as pharmacological, cosmetic, and food, in addition to the possibility of being a potential source of bioactive compounds.PMID:36738003 | DOI:10.1016/j.foodres.2022.112439

Comparative phytochemical analysis of Ferula assa-foetida with Ferula jaeschkeana and commercial oleo-gum resins using GC-MS and UHPLC-PDA-QTOF-IMS

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112434. doi: 10.1016/j.foodres.2022.112434. Epub 2022 Dec 31.ABSTRACTFerula assa-foetida is an important species of the genus Ferula, best known for its oleo-gum resin, mainly used as a flavoring agent. Ferula jaeschkeana is another Himalayan medicinal plant of this genus, known for its contraceptive effect but not used in food applications. This study aimed to do a detailed phytochemical analysis of F. assa-foetida growing under controlled conditions in India using GC-MS/headspace and UHPLC-PDA-QTOF-IMS. Further, a comparative analysis of F. assa-foetida was performed with F. jaeschkeana (collected from its natural habitat) and commercial samples of F. assa-foetida oleo-gum resin (collected from the local market). UHPLC-QTOF-IMS profiling of F. assa-foetida led to the identification of foetisulfide C, assafoetidnol A, gumosin, flabellilobin (A/B), and foetisulfide A. In total, 141 metabolites were identified, including vitamins, nucleosides, sulfur compounds, flavonoids, sugars derivatives, and others, using METLIN database. Serine, arginine, asparagine, isoleucine, and phenylalanine were major amino acids quantified among the samples for the nutritional aspect. Characteristic sulfurous compounds (n-propyl-sec-butyl disulfide, trans-propenyl-sec-butyl disulfide, cis-propenyl-sec-butyl disulfide, and bis[1-(methylthio)propyl] disulfide) were identified in all samples except F. jaeschkeana. PCA and cluster analysis showed a significant difference in the volatile constituents of rhizomes of both species. Metabolomics studies also revealed the association of sesquiterpenoid and triterpenoid biosynthesis, phenylpropanoid, flavon, and flavanol biosynthesis. The current study demonstrates, "why only F. assa-foetida is used in culinary applications instead of F. jaeschkeana"?PMID:36738001 | DOI:10.1016/j.foodres.2022.112434

Key metabolites and mechanistic insights in forchlorfenuron controlling kiwifruit development

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112412. doi: 10.1016/j.foodres.2022.112412. Epub 2022 Dec 27.ABSTRACTForchlorfenuron (CPPU) is a plant growth regulator widely applied on kiwifruit to improve yield, however, there are rarely reports on its effects on the nutrients of kiwifruits. Based on UHPLC-Q-TOF-MS, the effects of CPPU on metabolism profile and nutrient substances of two kiwifruit varieties during development were investigated by non-targeted metabolomics. A total of 115 metabolites were identified, and 29 differential metabolites were confirmed and quantified using certified reference standards. Metabolic profile indicated that CPPU promoted kiwifruit development during the main expansion stages at the molecular level, and the effects varied slightly for different varieties. In the early and middle stages of kiwifruit development, the anthocyanin, flavone and flavonol biosynthesis were down-regulated in both varieties, and flavanols biosynthesis was down-regulated only in Hayward variety. Arginine biosynthesis was down-regulated at all stages till the harvest. Although the synthesis of these nutrient substances in kiwifruits was mostly down-regulated by CPPU, the negative effects became mild at harvest time, and positively, the significant increase of sucrose and decrease of organic acids at harvest time could help to improve the taste of kiwifruits.PMID:36737992 | DOI:10.1016/j.foodres.2022.112412

Multiple metabolomics comparatively investigated the pulp breakdown of four dragon fruit cultivars during postharvest storage

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112410. doi: 10.1016/j.foodres.2022.112410. Epub 2022 Dec 28.ABSTRACTPulp breakdown is the main reason for the reduction of fruit quality. However, there are relatively few studies on small molecule metabolites based on the pulp breakdown of dragon fruit. In this study, four dragon fruit cultivars were comparatively analyzed during pulp breakdown. According to five firmness-related and six quality-related indicators, the pulp breakdown rates from low to high were 'Baiyulong (WP, with white pulp)', 'Dahong (RP, with red pulp)', 'Hongshuijing (CRP, with red pulp)' and 'Baishuijing (CWP, with white pulp)'. Five secondary metabolites showed cultivar-specific accumulation, and the increase of their contents during postharvest storage might be related to delaying pulp breakdown. After multiple metabolomics analysis, a total of 186 metabolites were identified, among which 14 primary metabolites, 23 volatiles, 2 hydrolyzed amino acids and 12 free amino acids were considered as key metabolites. The contents of hydrocarbons in WP and RP were much higher than that in CWP and CRP, which was negatively correlated with pulp breakdown. White pulp were rich in amino acids, while red pulp had more soluble sugars, aldehydes and terpenes. The contents of 13 key metabolites increased during pulp breakdown in all four cultivars, mainly including amino acids and alkanes. The contents and changes of those key metabolites might directly or indirectly respond to the pulp quality and resistance of dragon fruit.PMID:36737991 | DOI:10.1016/j.foodres.2022.112410

Investigation of the Quinone-quinone and Quinone-catechol products using <sup>13</sup>C labeling, UPLC-Q-TOF/MS and UPLC-Q-Exactive Orbitrap/MS

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112397. doi: 10.1016/j.foodres.2022.112397. Epub 2022 Dec 27.ABSTRACTQuinones are highly reactive oxidants and play an essential role in inducing quality deterioration of fruit and vegetable products. Here, a novel stable isotope-labeling approach in combination with high-resolution tandem mass spectrometry UPLC-Q-TOF/MS and UPLC-Q-Exactive Orbitrap/MS, was successfully applied in tracking quinone reaction pathways in both real wines and model reaction systems. Unexpectedly, the binding products of quinone-quinone and quinone-catechol that are not derived from either nucleophilic reaction or redox reaction were discovered and showed the significant high peak area.Self-coupling reactions of semiquinone radicals might provide a possible interpretation for the formation of quinone-quinone products, and a charge transfer reaction coupled with a complementary donor-acceptor interaction is feasibly responsible for the products with a quinone-catechol structure. These findings endow a new perspective for quinone metabolic pathway in foods.PMID:36737980 | DOI:10.1016/j.foodres.2022.112397

Wakame replacement alters the metabolic profile of wheat noodles after in vitro digestion

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112394. doi: 10.1016/j.foodres.2022.112394. Epub 2022 Dec 28.ABSTRACTThe development of nutritional noodles of high quality has become a new hotspot of research in the area of food science. Since wakame is edible seaweed rich in dietary fiber and proteins and rarely found in ordinary noodle, this study investigated the release of metabolites, the texture quality, and the rheological properties of wakame noodle, as well as the mechanism by which extruded wakame flours can influence noodle texture and viscoelasticity through digestion. Basically, nuclear magnetic resonance spectra were applied to identify the 46 metabolites including amino acids, saccharides, fatty acids, and other metabolites. Both PCA and OPLS-DA model showed fit goodness and good predictivity, which were assessed the increasing release of most metabolites. Structural studies discussed the effects on the enhancement of interlinkage with gluten matrix and protein matrix, which were validated via the decreasing instantaneous compliance J0 (1.64 × 10-5 to 0.16 × 10-5 Pa-1). Wakame addition best matched the physiochemical properties of noodle, in terms of chewiness (99.10 vs 122.66 g.mm), gumminess (281.98 vs. 323.44 g), and gel strength (132.65 vs 173.95 kPa•s-1). Beyond the functional characteristics it contributes benefits like reduction of diet-related diabetes. As a consequence, the creation of personalized nutritious, healthy noodles will be an innovative route from a scientific viewpoint and an application standpoint.PMID:36737976 | DOI:10.1016/j.foodres.2022.112394

Partial compression increases acidity, but decreases phenolics in jujube fruit: Evidence from targeted metabolomics

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112388. doi: 10.1016/j.foodres.2022.112388. Epub 2022 Dec 27.ABSTRACTJujube fruit (Ziziphus jujuba Mill.) is extremely susceptible to mechanical injury by extrusion and collision during storage, transportation and processing. In this study, we examined the morphology and endogenous metabolism of jujubes at three developmental stages after applying partial compression (PC) to mimic mechanical injury. Generally, PC did not affect the total soluble solids content, but increased the acidity and decreased the amount of phenolics in the jujube fruit. Targeted metabolomics analysis further confirmed that acid and phenolics content were differentially altered in response to PC. To our knowledge, this is the first study to characterize metabolic variations in ready-to-eat fruit that occur in response to physical damage. The results will provide insight into the understanding the consequences of mechanical injury on fruit nutrition and health benefits.PMID:36737973 | DOI:10.1016/j.foodres.2022.112388

Comparative metabolomics of flavonoids in twenty vegetables reveal their nutritional diversity and potential health benefits

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112384. doi: 10.1016/j.foodres.2022.112384. Epub 2022 Dec 28.ABSTRACTVegetables are rich in flavonoids and are widely consumed in our daily life. However, comprehensive information on flavonoids components in vegetable varieties and the distribution of flavonoids with health-promoting effects in different vegetables are rarely investigated. Here, we analyzed the constitution of flavonoids among 20 vegetables by widely-targeted metabolome analysis. A total of 403 flavonoids were detected and classified as flavonoid, flavonols, anthocyanins, isoflavones, flavonoid carbonoside, dihydroflavone, chalcones, flavanols, dihydroflavonol, tannin, proanthocyanidins, and other flavonoids. Interestingly, we found that the content and types of flavonoids in bean sprouts and hot pepper were relatively abundant, whereas those were lower in carrot, lettuce, and Zizania latifolia. Then, we characterized the representative flavonoids including flavonoid, flavonols, chalcones, and isoflavones, and related them to the health-promoting effects of vegetables. Finally, we examined the relevance of the flavonoids to antioxidant capacity. Both bean sprouts and hot pepper possessed higher antioxidant enzyme activity, which were responsible for their great antioxidant capacity. Our study established a database of major flavonoids components in vegetables and further provides a new hint for the selection and breeding of vegetables based on their health-promoting effects.PMID:36737968 | DOI:10.1016/j.foodres.2022.112384

Integrating transcriptomic and metabolomic analysis to understand muscle qualities of red swamp crayfish (Procambarus clarkii) under transport stress

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112361. doi: 10.1016/j.foodres.2022.112361. Epub 2023 Jan 2.ABSTRACTThis study investigated the transport stress (crowding stress and duration) on the physicochemical properties, energy metabolism and antioxidant enzyme activities of the red swamp crayfish (Procambarus clarkii) tail muscle (CTM). Besides, transcriptomic and metabolomic were conducted to elucidate the possible mechanism of CTM alternations during transport stress. The survival rate of crayfish gradually decreased with the external crowding stress and crowding time increasing. The transport stress also led to the increased distance among muscle fibers, water mobility and energy consumption, and the decreased of water holding capacity (WHC), hardness of CTM. The hepatopancreas exhibited more sensitive to crowding stress than muscle. The multi-omics analysis revealed that transport stress could interfere the translation and protein folding functions of ribosomal proteins, fatty acid metabolism and degradation, physiological functions of mitochondria in CTM. This study could provide critical information to increase the understanding of the regulation mechanism of crayfish when subjected to transport stress.PMID:36737949 | DOI:10.1016/j.foodres.2022.112361

Quality-controlled LC-ESI-MS food metabolomics of fenugreek (Trigonella foenum-graecum) sprouts: Insights into changes in primary and specialized metabolites

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112347. doi: 10.1016/j.foodres.2022.112347. Epub 2022 Dec 26.ABSTRACTFenugreek (Trigonella foenum-graecum L.) is an important food and spice with bioactive compounds against diabetes. In this study, fenugreek seeds germinating in darkness for 72 h were studied using quantification of trigonelline and 4-hydroxyisoleucine and an LC-ESI-MS/MS-based metabolomic approach capable of accurately estimating 237 features from various primary and specialized compound classes. During germination, the concentrations of trigonelline and 4-hydroxyisoleucine rose by 33.5% and 33.3%, respectively. At the same time, untargeted metabolomics revealed 9 putative flavonoids increasing 1.19- to 2.77-fold compared to the dormant seeds. A set of 19 steroid saponins rose by 1.08- to 31.86-fold. Primary metabolites however showed much more variability: abundance changes in amino acid derivatives, peptides and saccharides fell in the 0.09- to 22.25-fold, 0.93- to 478.79-fold and 0.36- to 941.58-fold ranges, respectively. To increase biosynthesis of specialized metabolites during germination, sprouts were exposed to 1-100 mM methyl jasmonate (MeJA) and methyl salicylate (MeSA). The hormone treatments affected normal metabolism: 67.1-83.1 % and 64.1-83.5 % of compounds showed a reduction compared to the controls in 100 mM MeJA and MeSA treatments at different sampling time points. Contrary to expectations, the abundance of flavonoids decreased, compared to the control sprouts (0.75- and 0.68-fold change medians, respectively). The same was observed for most, but not all steroid saponins. The quality-controlled untargeted metabolomics approach proved to yield excellent insight into the metabolic changes during germination of fenugreek. The results suggest that although fenugreek germination causes major shifts in plant metabolism, there are no major qualitative changes in bioactive specialized metabolites during the first three days. This stability likely translates into good bioactivity that is similar to that of the seeds. Because the large changes in the primary metabolites likely alter the nutritive value of the seed, further studies are warranted.PMID:36737938 | DOI:10.1016/j.foodres.2022.112347

Study on morphological traits, nutrient compositions and comparative metabolomics of diploid and tetraploid Tartary buckwheat sprouts during sprouting

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112334. doi: 10.1016/j.foodres.2022.112334. Epub 2022 Dec 20.ABSTRACTTartary buckwheat (TB) sprout is a kind of novel nutritional vegetable, but its consumption was limited by low biomass and thin hypocotyl. The tetraploid TB sprouts was considered to be able to solve this issue. However, the nutritional quality of tetraploid TB sprouts and differences between conventional (diploid) and tetraploid TB sprouts remain unclear. In this study, the morphological traits, nutrient compositions and metabolome changes of diploid and tetraploid TB sprouts were analyzed. The water, pigments and minerals contents of TB sprouts increased during sprouting, while the contents of total soluble protein, reducing sugar, cellulose, and total phenol decreased. Compared with diploid sprouts, tetraploid sprouts had higher biomass and thicker hypocotyl. Tetraploid sprouts had higher ash and carotenoid contents, but had lower phenol and flavonoid accumulation. 677 metabolites were identified in TB sprouts by UPLC-MS analysis, including 62 diseases-resistance metabolites and 43 key active ingredients. Some key bioactive metabolites, such as rimonabant, quinapril, 1-deoxynojirimycin and miglitol, were identified. 562 differential expressed metabolites (DEMs) were identified during sprouting with seven accumulation patterns, and five hormones were found to be involved in sprout development. Additionally, 209 DEMs between diploid and tetraploid sprouts were found, and some key bioactive metabolites were induced by chromosome doubling such as mesoridazine, amaralin, atractyloside A, rhamnetin and Qing Hau Sau. This work lays a basis for the development and utilization of TB sprouts and provides evidence for the selection of tetraploid varieties to produce sprouts with high biomass and quality.PMID:36737927 | DOI:10.1016/j.foodres.2022.112334

Integrated untargeted metabolome, full-length sequencing, and transcriptome analyses reveal insights into the fruit quality at different harvest times of Chaenomeles speciosa

Sat, 04/02/2023 - 12:00
Food Res Int. 2023 Feb;164:112314. doi: 10.1016/j.foodres.2022.112314. Epub 2022 Dec 7.ABSTRACTChaenomeles speciosa fruit is a homologous medicine and food plant with a long history of multiple uses. It could be harvested near maturity and last for a long time. However, the optimal harvest strategy of Chaenomeles speciosa for various uses is currently unavailable. Here, untargeted metabolome at different harvest times during maturation was investigated for the first time, and 896 metabolites, including sugars, organic acids, amino acids, and phenylpropanoids, were identified. Optimal harvesting methods were proposed for different purposes. During the early maturation stages (before 105 days after full bloom), Ch. speciosa fruit could be harvested as Chinesemedicine. Whereas as snacks and food, Ch. speciosa fruit might be harvested at late maturity (after 120 days after full bloom). In addition, the overall network was revealed by integrating full-length Iso-seq and transcriptomics (RNA-seq) to investigate the association between quality-associated metabolites and Chaenomeles speciosa fruit gene expression during maturation. A few putative genes were captured via screening, dissecting and correlation analysis with the quality-associated metabolites (including d-glucose, catechin, gallocatechin, and succinic acid). Overall, in addition to providing a harvesting strategy for food and medicine, we also investigated the metabolism and gene expression pattern of Chaenomeles speciosa fruit during maturation. This comprehensive data and analyses laid the foundation for further investigating potential regulatory mechanisms during harvest and provided a new possibility for its development and utilization.PMID:36737903 | DOI:10.1016/j.foodres.2022.112314

Surface Active Salivary Metabolites Indicate Oxidative Stress and Inflammation in Obstructive Sleep Apnea

Fri, 03/02/2023 - 12:00
Allergy Asthma Immunol Res. 2023 Feb 3. Online ahead of print.ABSTRACTPURPOSE: Obstructive sleep apnea (OSA), a highly prevalent and potentially serious sleep disorder, requires effective screening tools. Saliva is a useful biological fluid with various metabolites that might also influence upper airway patency by affecting surface tension in the upper airway. However, little is known about the composition and role of salivary metabolites in OSA. Therefore, we investigated the metabolomics signature in saliva from the OSA patients and evaluated the associations between identified metabolites and salivary surface tension.METHODS: We studied 68 subjects who visited sleep clinic due to the symptoms of OSA. All underwent full-night in-lab polysomnography. Patients with apnea-hypopnea index (AHI) < 10 were classified to the control, and those with AHI ≥ 10 were the OSA groups. Saliva samples were collected before and after sleep. The centrifuged saliva samples were analyzed by liquid chromatography with high-resolution mass spectrometry (ultra-performance liquid chromatography-tandem mass spectrometry; UPLC-MS/MS). Differentially expressed salivary metabolites were identified using open source software (XCMS) and Compound Discoverer 2.1. Metabolite set enrichment analysis (MSEA) was performed using MetaboAnalyst 5.0. The surface tension of the saliva samples was determined by the pendant drop method.RESULTS: Three human-derived metabolites (1-palmitoyl-2-[5-hydroxyl-8-oxo-6-octenoyl]-sn-glycerol-3-phosphatidylcholine [PHOOA-PC], 1-palmitoyl-2-[5-keto-8-oxo-6-octenoyl]-sn-glycerol-3-phosphatidylcholine [KPOO-PC], and 9-nitrooleate) were significantly upregulated in the after-sleep salivary samples from the OSA patients compared to the control group samples. Among the candidate metabolites, only PHOOA-PC was correlated with the AHI. In OSA samples, salivary surface tension decreased after sleep. The differences in surface tension were negatively correlated with PHOOA-PC and 9-nitrooleate concentrations. Furthermore, MSEA revealed that arachidonic acid-related metabolism pathways were upregulated in the after-sleep samples from the OSA group.CONCLUSIONS: This study revealed that salivary PHOOA-PC was correlated positively with the AHI and negatively with salivary surface tension in the OSA group. Salivary metabolomic analysis may improve our understanding of upper airway dynamics and provide new insights into novel biomarkers and therapeutic targets in OSA.PMID:37075797

Dynamics of fatty acid and non-volatile polar metabolite profiles in colostrum and milk depending on the lactation stage and parity number of sows

Fri, 03/02/2023 - 12:00
Sci Rep. 2023 Feb 3;13(1):1989. doi: 10.1038/s41598-023-28966-6.ABSTRACTThe objective of this study was to investigate the impact of lactation stage and parity number on fatty acid and non-volatile polar metabolite profiles in sow colostrum and milk using a metabolomics approach. A total number of 63 colostrum, transient and mature milk were collected from primiparous and multiparous Landrace × Yorkshire crossbred sows. Macrochemical, fatty acid and non-volatile polar metabolite compositions of samples were analyzed using infrared spectrometry, gas chromatography coupled with mass-spectrometry and proton nuclear magnetic resonance spectroscopy, respectively. Univariate and multivariate statistical analysis demonstrated significant impacts of lactation stage and parity number on colostrum and milk compositions. Chemometric analysis revealed significant influences of sow parity on the distinction in fatty acid profiles of mature milk while the distinction in non-volatile polar metabolite profiles was more evident in colostrum. Alterations in the concentration of linoleic (C18:2n6), lignoceric (C24:0), behenic (C22:0), caprylic (C8:0) and myristoleic (C14:1) acid together with those of creatine, creatinine phosphate, glutamate and glycolate were statistically suggested to be mainly affected by sow parity number. Variations in the concentration of these compounds reflected the physiological function of sow mammary gland influenced. This information could be applied for feed and feeding strategies in lactating sows and improving lactating performances.PMID:36737492 | DOI:10.1038/s41598-023-28966-6

Antifungal activity and metabolomics analysis of Piper sarmentosum extracts against Fusarium graminearum

Fri, 03/02/2023 - 12:00
J Appl Microbiol. 2023 Feb 3:lxad019. doi: 10.1093/jambio/lxad019. Online ahead of print.ABSTRACTAIMS: Fusarium graminearum is a toxic fungus that affects food and feed crops. Piper sarmentosum extract (PSE) is a potential source of anti-mildew natural products for the food and feed industry due to its various pharmacological properties. In this study, we evaluated the antifungal activity and untargeted metabolomics analysis of PSE against F. graminearum.METHODS AND RESULTS: Antifungal activity was evaluated using the mycelium growth rate method. Untargeted metabolomics analysis of PSE was performed using ultra high-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The results showed that PSE (1 and 2 mg ml-1) possesses inhibitory activity against F. graminearum, and a total of 17 compounds that including 8 alkaloids, 3 phenols, 3 lipids, and 3 organic acids might be the antifungal markers in PSE. Metabolomics analysis further revealed that PSE could significantly increase the levels of guanosine, guanine, adenosine, and L-isoleucine in fungi, which are related to purine and L-isoleucine metabolic pathways.CONCLUSIONS: PSE is a promising anti-mildew agent that inhibits the growth of F. graminearum in food and feed. PSE (1 and 2 mg ml-1) may exert antifungal properties by inhibiting fungal purine nucleotide synthesis and enhancing the level of L-isoleucine compared with the control groups.PMID:36737421 | DOI:10.1093/jambio/lxad019

Benzo[a]pyrene treatment modulates Nrf2/Keap1 axis and changes the metabolic profile in rat lung cancer

Fri, 03/02/2023 - 12:00
Chem Biol Interact. 2023 Feb 1:110373. doi: 10.1016/j.cbi.2023.110373. Online ahead of print.ABSTRACTLung cancer is an aggressive malignancy and the leading cause of cancer-related deaths. Benzo [a]pyrene (B [a]P), a polycyclic hydrocarbon, plays a pivotal role in lung carcinogenesis. Uncovering the molecular mechanism underlying the pathophysiology of B [a]P-induced malignancy is crucial. Male Sprague Dawley rats were induced with B [a]P to generate a lung cancer model. The B [a]P-administered rats show increased body and lung weight, loss of normal pulmonary architecture, and decreased survival. This study demonstrated that B [a]P upregulates activating transcription factor-6 (ATF6) and C/EBP Homologous Protein (CHOP) and induces endoplasmic reticulum (ER) stress. B [a]P also dysregulated mitochondrial homeostasis by upregulating, PTEN-induced putative kinase-1 (PINK1) and Parkin. B [a]P affected the levels of superoxide dismutase (SOD), reduced glutathione (GSH), malondialdehyde (MDA), and increased oxidative stress. B [a]P exposure downregulated Kelch-like ECH-associated protein 1 (Keap1) and upregulated nuclear factor erythroid 2-related factor 2 (Nrf2) and Heme oxygenase-1(HO1). The metabolomic study identified that biosynthesis of nucleotide, amino acids, pentose phosphate pathway (PPP), tricarboxylic acid cycle (TCA), and glutathione metabolism were up-accumulated. On the other hand, lower accumulation of fatty acids e.g., palmitic acid, stearic acid, and oleic acid were reported in the B [a]P induced group. Overall, the results of this study indicate that B [a]P treatment affects several signaling and metabolic pathways, whose dysregulation might be involved in lung cancer induction.PMID:36736873 | DOI:10.1016/j.cbi.2023.110373

A novel N-arachidonoyl-l-alanine-catabolizing strain of Serratia marcescens for the bioremediation of Cd and Cr co-contamination

Fri, 03/02/2023 - 12:00
Environ Res. 2023 Feb 1:115376. doi: 10.1016/j.envres.2023.115376. Online ahead of print.ABSTRACTCadmium (Cd) and chromium (Cr) are widespread contaminants with a high risk to the environment and humans. Herein we isolated a novel strain of Serratia marcescens, namely strain S27, from soil co-contaminated with Cd and Cr. This strain showed strong resistance to Cd as well as Cr. S27 cells demonstrated Cd adsorption rate of 45.8% and Cr reduction capacity of 84.4% under optimal growth conditions (i.e., 30 °C, 200 rpm, and pH 7.5). Microscopic characterization of S27 cells revealed the importance of the functional groups C-O-C, C-H-O, C-C, C-H, and -OH, and also indicated that Cr reduction occurred on bacterial cell membrane. Cd(II) and Cr(VI) bioaccumulation on S27 cell surface was mainly in the form of Cd(OH)2 and Cr2O3, respectively. Further, metabolomic analyses revealed that N-arachidonoyl-l-alanine was the key metabolite that promoted Cd and Cr complexation by S27; it primarily promotes γ-linolenic acid (GLA) metabolism, producing siderophores and coordinating with organic acids to enhance metal bioavailability. To summarize, our results suggest that S27 is promising for the bioremediation of environments contaminated with Cd and Cr in tropical regions.PMID:36736755 | DOI:10.1016/j.envres.2023.115376

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