The framework of PrMFTP.

First, peptide sequences are encoded as an input vector using numbers, and converted into a fixed-size matrix through the embedding layer. Second, DNN layer, a combination of multi-scale CNN and BiLSTM architectures, is used to capture the sequence features. Third, multi-head self-attention mechanism (MSHA) is used to make the model attend the more important and discriminating sequence features for prediction of multi-functional therapeutic peptides. Finally, the resulting feature matrix is fed into a classification layer and applied to score the different therapeutic peptides to achieve the predicted result.</p

Class weights calculated by different methods.

(PDF)</p

The performance of PrMFTP and their variants on the test set.

The highest value is highlighted in bold. w/o is abbreviation of without. The mean ± standard deviation on 5-fold cross-validation is shown for models. *, **, *** and **** mean that PrMFTP is significantly better at P-value < 0.05, P-value < 0.01, P-value < 0.001 and P-value < 0.0001 (t-test), respectively.</p

The performance of the base (CNN+BiLSTM+MHSA) model with different calculation class weight methods and MLSMOTE on the test set.

The highest value is highlighted in bold. On all performance metrics, Base+CW (our model) is significantly better compared with the other methods. The mean ± standard deviation on 5-fold cross-validation is shown for models. *, **, *** and **** mean that CNN+BiLSTM+MHSA (our model) is significantly better at P-value (DOCX)</p

DataSheet_1_Effects of the neurotoxin β-N-methylamino-L-alanine (BMAA) on the early embryonic development of marine shellfish and fish.docx

The neurotoxin β-N-methylamino-L-alanine (BMAA) produced by cyanobacteria and diatoms can accumulate in diverse aquatic organisms through the food web. In the present study, embryos of mussel Mytilus galloprovincialis (Lamarck, 1819), oyster Magallana gigas (Thunberg, 1793), and marine medaka Oryzias melastigma (McClelland, 1839) were exposed to BMAA dissolved in seawater and monitored for early developmental effects. Results demonstrated that the embryonic development of mussels and oysters were significantly inhibited when BMAA concentrations were above 100 μg BMAA·HCl/L (0.65 µM) and 800 μg BMAA·HCl/L (5.18 µM), respectively. The shell growth of mussel embryos was also markedly inhibited by BMAA ≥ 100 μg BMAA·HCl/L (0.65 µM). Based on the dose-response curves related to the modified malformation rate of embryos, the median effective concentration (EC50) values of mussel (48 h) and oyster (24 h) embryos were 196 μg BMAA·HCl/L (1.27 µM) and 1660 μg BMAA·HCl/L (10.7 μM), respectively. A sustained and dose-dependent decrease in heart rate was apparent in marine medaka embryos at 9-days post fertilization following BMAA exposure. However, no obvious effect on ATP concentration was noted in these marine medaka embryos. The current study contributes to our understanding of the sublethal effects of BMAA on the early embryonic development of marine bivalves and medaka. Further research examining the long-term effects of BMAA on the early development of marine organisms is necessary to determine seawater quality criteria for protection.</p

Size-Specific Infrared Spectroscopic Study of the Reactions between Water Molecules and Neutral Vanadium Dimer: Evidence for Water Splitting

Investigation of the reactions between water molecules and neutral metal clusters is important in water splitting but is very challenging due to the inherent difficulty of size selection. Here, we report a size-specific infrared-vacuum ultraviolet spectroscopic study on the reactions of water with neutral vanadium dimer. The V2O3H4 and V2O4H6 products were characterized to have unexpected V2(μ2-OH)(μ2-H)(η1-OH)2 and V2(μ2-OH)2(η1-H)2(η1-OH)2 structures, indicative of a water decomposition. A combination of theory and experiment reveals that the water splitting by V2 is both thermodynamically exothermic and kinetically facile in the gas phase. The present system serves as a model for clarifying the pivotal roles played by neutral metal clusters in water decomposition and also opens new avenues toward systematic understanding of water splitting by a large variety of single-cluster catalysts

Effects of canagliflozin on weight loss in high-fat diet-induced obese mice

<div><p>Canagliflozin, an inhibitor of sodium glucose co-transporter (SGLT) 2, has been shown to reduce body weight during the treatment of type 2 diabetes mellitus (T2DM). In this study, we sought to determine the role of canagliflozin in body weight loss and liver injury in obesity. C57BL/6J mice were fed a high-fat diet to simulate diet-induced obesity (DIO). Canagliflozin (15 and 60 mg/kg) was administered to DIO mice for 4 weeks. Orlistat (10 mg/kg) was used as a positive control. The body weight, liver weight, liver morphology, total cholesterol (TC) and triglyceride (TG) levels were examined. Signaling molecules, including diacylgycero1 acyltransferase-2 (DGAT2), peroxisome proliferation receptor alpha-1 (PPARα1), PPARγ1, PPARγ2 mRNA levels and the protein expression of SGLT2 were evaluated. Canagliflozin reduced body weight, especially the high-dose canagliflozin, and resulted in increased body weight loss compared with orlistat. Moreover, canagliflozin reduced the liver weight and the ratio of liver weight to body weight, lowered the serum levels of TC and TG, and ameliorated liver steatosis. During the canagliflozin treatment, SGLT2, DGAT2, PPARγ1 and PPARγ2 were inhibited, and PPARα1 was elevated in the liver tissues. This finding may explain why body weight was reduced and secondary liver injury was ameliorated in response to canagliflozin. Together, the results suggest that canagliflozin may be a potential anti-obesity strategy.</p></div

Size-Specific Infrared Spectroscopic Study of the Reactions between Water Molecules and Neutral Vanadium Dimer: Evidence for Water Splitting

Investigation of the reactions between water molecules and neutral metal clusters is important in water splitting but is very challenging due to the inherent difficulty of size selection. Here, we report a size-specific infrared-vacuum ultraviolet spectroscopic study on the reactions of water with neutral vanadium dimer. The V2O3H4 and V2O4H6 products were characterized to have unexpected V2(μ2-OH)(μ2-H)(η1-OH)2 and V2(μ2-OH)2(η1-H)2(η1-OH)2 structures, indicative of a water decomposition. A combination of theory and experiment reveals that the water splitting by V2 is both thermodynamically exothermic and kinetically facile in the gas phase. The present system serves as a model for clarifying the pivotal roles played by neutral metal clusters in water decomposition and also opens new avenues toward systematic understanding of water splitting by a large variety of single-cluster catalysts

Canagliflozin reduced liver weight and the ratio of liver weight to body weight in DIO mice.

<p>(A) Liver weight. (B) The ratio of liver weight to body weight. Data are expressed as the mean ± SEM (n = 8). * <i>P</i> <0.05, ** <i>P</i> <0.01 vs. control group. # <i>P</i> <0.05 vs. model group. NS: no statistical significance. Model: diet-induced obesity (DIO); Orlistat: orlistat (10 mg/kg/d); Canagliflozin (L): canagliflozin (15 mg/kg/d); Canagliflozin (H): canagliflozin (60 mg/kg/d).</p

Primer sequence used for real-time PCR.

<p>Primer sequence used for real-time PCR.</p