In Silico Screening of Bioactive Peptides in Stout Beer and Analysis of ACE Inhibitory Activity.

Stout beer was selected as the research object to screen angiotensin-converting enzyme (ACE) inhibitory peptides. The peptide sequences of stout beer were identified using ultra-performance liquid chromatography-quadrupole-Orbitrap mass spectrometry with de novo, and 41 peptides were identified with high confidence. Peptide Ranker was used to score the biological activity and six peptides with a score ≥ 0.5 were screened to predict their potential ACE inhibitory (ACEI) activity. The toxicity, hydrophilicity, absorption, and excretion of these peptides were predicted. In addition, molecular docking between the peptides and ACE revealed a significant property of the peptide DLGGFFGFQR. Furthermore, molecular docking conformation and molecular dynamics simulation revealed that DLGGFFGFQR could be tightly bound to ACE through hydrogen bonding and hydrophobic interaction. Lastly, the ACEI activity of DLGGFFGFQR was confirmed using in vitro evaluation and the IC50 value was determined to be 24.45 µM.

High-strength, anti-fatigue, cellulose nanofiber reinforced polyvinyl alcohol based ionic conductive hydrogels for flexible strain/pressure sensors and triboelectric nanogenerators.

Ionic conductive hydrogels (ICHs) have attracted great attention because of their excellent biocompatibility and structural similarity with biological tissues. However, it is still a huge challenge to prepare a high strength, conductivity and durability hydrogel-based flexible sensor with dual network structure through a simple and environmentally friendly method. In this work, a simple one-pot cycle freezing thawing method was proposed to prepare ICHs by dissolving polyvinyl alcohol (PVA) and ferric chloride (FeCl3) in cellulose nanofiber (CNF) aqueous dispersion. A dual cross-linked network was established in hydrogel through the hydrogen bonds and coordination bonds among PVA, CNF, and FeCl3. This structure endows the as-prepared hydrogel with high sensitivity (pressure sensitivity coefficient (S) = 5.326 in the pressure range of 0-5 kPa), wide response range (4511 kPa), excellent durability (over 3000 cycles), short response time (83 ms) and recovery time (117 ms), which can accurately detect various human activities in real time. Furthermore, the triboelectric nano-generator (TENG) made from PVA@CNF-FeCl3 hydrogel can not only supply power for commercial capacitors and LED lamps, but also be used as a self-powered sensor to detect human motion. This work provides a new approach for the development of the next generation of flexible wearable electronic devices.

MnO2 porous carbon composite from cellulose enabling high gravimetric/volumetric performance for supercapacitor.

Preparing electrode material integrated with high gravimetric/volumetric capacitance and fast electron/ion transfer is crucial for the practical application. Owing to the structural contradiction, it is a big challenge to construct electrode material with high packing density, sufficient ion transport channels, and fast electronic transfer pathways. Herein, MnO2 porous carbon composite with abundant porous structure and 3D carbon skeleton was facilely fabricated from Linum usitatissimum. L stems via NaOH activation and MnO2 introduction. The in-situ introduced MnO2 not only increases the packing density and the electrical conductivity of the porous carbon but also provides more active sites for oxidation reactions. These unique characteristics endow the resultant MnO2 porous carbon composite with remarkable gravimetric capacitance of 549 F g-1, volumetric capacitance of 378 F cm-3, and capacitance retention of 54.9 %. Giving the simple process and low cost, this work might offer a new approach for structural design and the practical application of high-performance electrode materials.

New molecular insights into ferroptosis in lung adenocarcinoma progression and pharmacological compounds for targeted therapy.

BACKGROUND: The involvement of ferroptosis has been found in many pathological conditions of the lung. The genetic engineering of ferroptosis-related genes may provide a potential target for the treatment of lung adenocarcinoma (LUAD). METHODS: Nine ferroptosis regulators and markers were collected from FerrDb and their somatic mutations and expressions were analyzed based on The Cancer Genome Atlas (TCGA)-LUAD cohort data. Least absolute shrinkage and selection operator (LASSO) and Cox regression analysis were performed to screen genes significantly associated with ferroptosis. The ferroptosis-related gene signature was constructed using TCGA-LUAD cohort data and was verified using the GSE cohort with pooled data for GSE30219, GSE31210, GSE37745 and GSE50081. Immune microenvironment component and mutation analysis were performed for genes in the ferroptosis-related gene signature. RESULTS: All nine ferroptosis regulators and markers were differentially expressed between normal LUAD tumor tissues and adjacent normal tissues and were related to copy number variation. The expression of 1329 genes were significantly associated with nine ferroptosis regulators and markers in the TCGA-LUAD dataset, five (ALDOA, PLK1, CD47, CENPC and TMOD3) of which were integrated into a ferroptosis-related gene signature to calculate the risk score of LUAD samples, showing a significant correlation with the abundance of immune cell infiltration and the immune score. Molecular docking showed the binding activity of natural active compound quercetin to target proteins ALDOA and CD47, as well as the binding activity of aristolochic acid to PLK1 protein and TMOD3 protein. CONCLUSIONS: In the present study, a ferroptosis-related gene signature with predictive value for LUAD prognosis was constructed, in which the gene was a potential therapeutic target for LUAD. Quercetin and aristolochic acid were potential candidates for inhibiting these targets by directly binding to them and showing high affinity and strong stability.

Four New Species of Torula (Torulaceae, Pleosporales) from Sichuan, China.

Torula is an asexual and hyphomycetous genus in the family Torulaceae. Torula species are generally saprophytic. They have a worldwide distribution and abound in humid or freshwater habitats. In order to better understand this genus, we carried out several field collections from Sichuan, China. As a result, we obtained nine Torula isolates from dead woody substrates in terrestrial and freshwater habitats. Based on a biphasic approach of morphological examination and multi-locus phylogenetic analyses (ITS, SSU, LSU, TEF, RPB2), these collections were identified as belonging to seven Torula species. Four of them were new species (Torula chinensis, T. longiconidiophora, T. sichuanensis and T. submersa), and the other three belonged to existing species, though one was found for the first time in China (T. masonii). Morphological and updated phylogenetic delamination of the new discoveries is also discussed. This study provides further insights into our understanding of wood-based Torula species in China.

Synhelminthosporium gen. et sp. nov. and Two New Species of Helminthosporium (Massarinaceae, Pleosporales) from Sichuan Province, China.

Helminthosporium is a polyphyletic genus in Massarinaceae (Pleosporales). Species of Helminthosporium are characterized by having septate and erect conidiophores, acro-pleurogenous and distoseptate conidia with a ring-shaped scar at the base. During a survey of fungal diversity in Sichuan Province, China, six Helminthosporium-like isolates were collected from dead branches of unknown trees. Five barcodes, including ITS (ITS1-5.8S-ITS2), SSU, LSU, TEF1, and RPB2 were amplified and sequenced. Morphological examination and multi-locus phylogenetic analyses revealed two new Helminthosporium species (H. chengduense sp. nov., and H. chinense sp. nov.), a new genus (Synhelminthosporium gen. nov.) with a type species Synhelminthosporium synnematoferum sp. nov., and two known species (Helminthosporium submersum and H. velutinum) within Massarinaceae. The new genus Synhelminthosporium differs from the phylogenetically closest genus Helminthosporium by producing synnematous conidiophores. This work expands our understanding of the diversity of Helminthosporium-like taxa in Sichuan Province, China.

Protective effect against d-gal-induced aging mice and components of polypeptides and polyphenols in defatted walnut kernel during simulated gastrointestinal digestion.

Defatted walnut kernel with pellicle (WKP) is an industrial byproduct during walnut oil extraction, which is rich in protein and polyphenols. WKP was hydrolyzed by simulated gastrointestinal digestion to obtain WKP hydrolysates (WKPHs). Results showed the protein recovery and hydrolysis degree of WKPH were 82.15 and 10.36%. The total phenol contents in WKP and WKPH were 4.90 and 40.70 mg gallic acid equivalent/g, respectively. The antiaging activity of WKPH was evaluated using a d-gal-induced aging mouse model. Results showed that WKPHs could recover the activities of SOD and T-AOC and the content of MDA in tissues and serum of the aging mice. The histological morphology of liver and kidney sections and the immunohistochemistry of TNF-α, IL-1ß, and IL-6 in liver were observed. WKPH could effectively protect the tissue structure of the liver and kidney and reduce the inflammatory expression of liver in aging mice. The polypeptides and polyphenols in WKPH were further analyzed. Fifty polypeptides were identified and 12 of these peptides had Leu-Arg at the C-terminal. Forty-two polyphenols were detected, and most phenolic compounds belonged to ellagitannins. This study provided a theoretical basis for the improved processing and high-value utilization of walnut byproducts. PRACTICAL APPLICATION: Defatted walnut kernel with pellicle was hydrolyzed by simulated gastrointestinal digestion to obtain its hydrolysates. The hydrolysates have good antiaging activity in vivo. Fifty polypeptides were identified and 12 of these peptides had Leu-Arg at the C-terminal. Forty-two polyphenols were detected, and most phenolic compounds belonged to ellagitannins. This study could provide a theoretical basis for high-value utilization of walnut byproducts.

The SikCuZnSOD3 gene improves abiotic stress resistance in transgenic cotton.

The expression of a gene encoding peroxisomal Cu-Zn superoxide dismutase from Saussurea involucrata Kar. et Kir. was induced by low temperature, PEG6000 treatment, and NaCl stress. To investigate the role of SikCuZnSOD3 in the mitigation of abiotic stress, we used Agrobacterium-mediated transformation to create transgenic cotton that overexpressed SikCuZnSOD3. Phenotypic analysis of T4 generation transgenic lines showed that they generally grew better than wild-type cotton under low temperature, PEG6000 treatment, and NaCl stress. Although there were no significant differences under control conditions, transgenic plants exhibited greater survival, fresh weight, and dry weight than wild-type plants under all three stress treatments. Additional physiological analyses demonstrated that the transgenic cotton had higher relative water content, proline and soluble sugar contents, and activity of antioxidant enzymes (superoxide dismutase, catalase, and peroxidase), as well as lower relative conductivity, malondialdehyde content, and H2O2 and O2- accumulation. More importantly, overexpression of SikCuZnSOD3 increased the yield of cotton fiber. Our results confirm that the overexpression of SikCuZnSOD3 can improve the abiotic stress resistance of cotton by increasing the activity of antioxidant enzymes, maintaining ROS homeostasis, and reducing cell membrane damage. Supplementary Information: The online version contains supplementary material available at 10.1007/s11032-021-01217-0.

In vivo acute and subacute toxicities of phenolic extract from rambutan (Nephelium lappaceum) peels by oral administration.

Acute and subacute studies of rambutan peel phenolic (RPP) extract were conducted by oral administration on Kunming mice and Sprague-Dawley (SD) rats, respectively. Acute toxicity study (14 days) results revealed that the LD50 value of RPP extract was more than 5000 mg/kg bw in vivo. For the subacute study, four different doses were administered to SD rats by daily gavage for 28 days. Subacute toxicity study results indicated that RPP extract did not show any obvious adverse effect at doses of 312 and 625 mg/kg bw. The bw gain was significantly inhibited at 2500 mg/kg bw of RPP extract. RPP extract at doses of 1250 and 2500 mg/kg bw showed toxicities to liver, kidney, and spleen in SD rats according to the results of hematological and biochemical analyses. Furthermore, RPP extract at 2500 mg/kg bw showed toxicity on different tissues according to the results of histopathological analyses.

Transcriptome sequencing of Verticillium dahliae from a cotton farm reveals positive correlation between virulence and tolerance of sugar-induced hyperosmosis.

Verticillium dahliae causes disease symptoms in its host plants; however, due to its rapid variability, V. dahliae is difficult to control. To analyze the reason for this pathogenic differentiation, 22 V. dahliae strains with different virulence were isolated from a cotton farm. The genetic diversity of cotton varieties make cotton cultivars have different Verticillium wilt resistance, so the Xinluzao 7 (susceptible to V. dahliae), Zhongmian 35 (tolerant), and Xinluzao 33 (resistant) were used to investigate the pathogenicity of the strains in a green house. Vegetative compatibility groups (VCGs) assays, Internal Transcribed Spacer (ITS) PCR, and pathogenicity analysis showed that SHZ-4, SHZ-5, and SHZ-9 had close kinship and significantly different pathogenicity. Transcriptome sequencing of the three strains identified 19 of 146 unigenes in SHZ-4_vs_ SHZ-5, SHZ-5_vs_ SHZ-9, and SHZ-4_vs_ SHZ-9. In these unigenes, three proteinase and four polysaccharide degrading hydrolases were found to be associated with the pathogenicity. However, due to a number of differentially expressed genes in the transport, these unigenes not only played a role in nutrition absorption but might also contribute to the resistance of sugar-induced hyperosmosis. Moreover, the tolerance ability was positively related to the pathogenicity of V. dahliae. This resistance to sugar-induced hyperosmosis might help V. dahliae to access the nutrition of the host. The pathogenicity of V. dahliae correlated with the resistance of sugar-induced-hyperosmosis, which provides clues for the cultivation of V. dahliae resistant varieties.