Efficient screening of pharmacological broad-spectrum anti-cancer peptides utilizing advanced bidirectional Encoder representation from Transformers strategy.

In the vanguard of oncological advancement, this investigation delineates the integration of deep learning paradigms to refine the screening process for Anticancer Peptides (ACPs), epitomizing a new frontier in broad-spectrum oncolytic therapeutics renowned for their targeted antitumor efficacy and specificity. Conventional methodologies for ACP identification are marred by prohibitive time and financial exigencies, representing a formidable impediment to the evolution of precision oncology. In response, our research heralds the development of a groundbreaking screening apparatus that marries Natural Language Processing (NLP) with the Pseudo Amino Acid Composition (PseAAC) technique, thereby inaugurating a comprehensive ACP compendium for the extraction of quintessential primary and secondary structural attributes. This innovative methodological approach is augmented by an optimized BERT model, meticulously calibrated for ACP detection, which conspicuously surpasses existing BERT variants and traditional machine learning algorithms in both accuracy and selectivity. Subjected to rigorous validation via five-fold cross-validation and external assessment, our model exhibited exemplary performance, boasting an average Area Under the Curve (AUC) of 0.9726 and an F1 score of 0.9385, with external validation further affirming its prowess (AUC of 0.9848 and F1 of 0.9371). These findings vividly underscore the method's unparalleled efficacy and prospective utility in the precise identification and prognostication of ACPs, significantly ameliorating the financial and temporal burdens traditionally associated with ACP research and development. Ergo, this pioneering screening paradigm promises to catalyze the discovery and clinical application of ACPs, constituting a seminal stride towards the realization of more efficacious and economically viable precision oncology interventions.

Synaptic Properties of a PbHfO3 Ferroelectric Memristor for Neuromorphic Computing.

The conventional von Neumann architecture has proven to be inadequate in keeping up with the rapid progress in artificial intelligence. Memristors have become the favored devices for simulating synaptic behavior and enabling neuromorphic computations to address challenges. An artificial synapse utilizing the perovskite structure PbHfO3 (PHO) has been created to tackle these concerns. By employing the sol-gel technique, a ferroelectric film composed of Au/PHO/FTO was created on FTO/glass for the purpose of this endeavor. The artificial synapse is composed of Au/PHO/FTO and exhibits learning and memory characteristics that are similar to those observed in biological neurons. The recognition accuracy for both MNIST and Fashion-MNIST data sets saw an increase, reaching 92.93% and 76.75%, respectively. This enhancement resulted from employing a convolutional neural network architecture and implementing an improved stochastic adaptive algorithm. The presented findings showcase a viable approach to achieve neuromorphic computation by employing artificial synapses fabricated with PHO.

Attaining decent work among Chinese rural migrants: Exploring the roles of psychological ownership and proactive personality within the psychology of working theory.

Testing an adapted psychology of working theory (PWT) model (PWT; Duffy et al., 2016), this study examined how and when contextual constraints affect the ability of Chinese rural migrant workers () to attain decent work. Surveying a sample of 510 employed Chinese rural migrants at two time points, this study revealed that economic constraints and daily discrimination were indirectly related to attaining decent work through the mediating factors of work volition and psychological ownership over work. In addition, proactive personality moderated the relationships between daily discrimination and economic constraints and the two mediators. The results contribute to better understanding Chinese rural migrant workers' work experience, refining the PWT and enriching the literature on the underlying mechanisms and moderating factors associated with decent work attainment. The research results call for policy and social change to lessen economic constraints and discrimination at the macro level and organizational commitment to employee-oriented human resource management and counseling interventions to improve the quality of the work lives of rural migrant workers. (PsycInfo Database Record (c) 2024 APA, all rights reserved).

Direct Synthesis of N-formamides by Integrating Reductive Amination of Ketones and Aldehydes with CO2 Fixation in a Metal-Organic Framework.

Formamides are important feedstocks for the manufacture of many fine chemicals. State-of-the-art synthesis of formamides relies on the use of an excess amount of reagents, giving copious waste and thus poor atom-economy. Here, we report the first example of direct synthesis of N-formamides by coupling two challenging reactions, namely reductive amination of carbonyl compounds, particularly biomass-derived aldehydes and ketones, and fixation of CO2 in the presence of H2 over a metal-organic framework supported ruthenium catalyst, Ru/MFM-300(Cr). Highly selective production of N-formamides has been observed for a wide range of carbonyl compounds. Synchrotron X-ray powder diffraction reveals the presence of strong host-guest binding interactions via hydrogen bonding and parallel-displaced π⋅⋅⋅π interactions between the catalyst and adsorbed substrates facilitating the activation of substrates and promoting selectivity to formamides. The use of multifunctional porous catalysts to integrate CO2 utilisation in the synthesis of formamide products will have a significant impact in the sustainable synthesis of feedstock chemicals.

Erratum: Multivariate landscapes constructed by Bayesian estimation over five hundred microbial electrochemical time profiles.

[This corrects the article DOI: 10.1016/j.patter.2022.100610.].

Efficient capture and storage of ammonia in robust aluminium-based metal-organic frameworks.

The development of stable sorbent materials to deliver reversible adsorption of ammonia (NH3) is a challenging task. Here, we report the efficient capture and storage of NH3 in a series of robust microporous aluminium-based metal-organic framework materials, namely MIL-160, CAU-10-H, Al-fum, and MIL-53(Al). In particular, MIL-160 shows high uptakes of NH3 of 4.8 and 12.8 mmol g-1 at both low and high pressure (0.001 and 1.0 bar, respectively) at 298 K. The combination of in situ neutron powder diffraction, synchrotron infrared micro-spectroscopy and solid-state nuclear magnetic resonance spectroscopy reveals the preferred adsorption domains of NH3 molecules in MIL-160, with H/D site-exchange between the host and guest and an unusual distortion of the local structure of [AlO6] moieties being observed. Dynamic breakthrough experiments confirm the excellent ability of MIL-160 to capture of NH3 with a dynamic uptake of 4.2 mmol g-1 at 1000 ppm. The combination of high porosity, pore aperture size and multiple binding sites promotes the significant binding affinity and capacity for NH3, which makes it a promising candidate for practical applications.

Multivariate landscapes constructed by Bayesian estimation over five hundred microbial electrochemical time profiles.

Data science emerges as a promising approach for studying and optimizing complex multivariable phenomena, such as the interaction between microorganisms and electrodes. However, there have been limited reports on a bioelectrochemical system that can produce a reliable database until date. Herein, we developed a high-throughput platform with low deviation to apply two-dimensional (2D) Bayesian estimation for electrode potential and redox-active additive concentration to optimize microbial current production (I c ). A 96-channel potentiostat represents <10% SD for maximum I c . 576 time-I c profiles were obtained in 120 different electrolyte and potentiostatic conditions with two model electrogenic bacteria, Shewanella and Geobacter. Acquisition functions showed the highest performance per concentration for riboflavin over a wide potential range in Shewanella. The underlying mechanism was validated by electrochemical analysis with mutant strains lacking outer-membrane redox enzymes. We anticipate that the combination of data science and high-throughput electrochemistry will greatly accelerate a breakthrough for bioelectrochemical technologies.

Seed Treatment with Diamide and Neonicotinoid Mixtures for Controlling Fall Armyworm on Corn: Toxicity Evaluation, Effects on Plant Growth and Residuality.

The diamides, chlorantraniliprole (CHL) and cyantraniliprole (CYA), have been used as seed treatment agents against the fall armyworm (FAW), Spodoptera frugiperda in China. However, large-scale application of these two insecticides is prohibited because of their high cost. The neonicotinoid insecticides, clothianidin (CLO) and thiamethoxam (THI), are cheaper and widely used. In this study, we tested the efficacy of CHL + CLO and CYA + THI as seed treatment agents against FAW larvae both in laboratory and field conditions. Laboratory experiments showed that the two binary mixtures (both 240 g.a.i.100 kg-1 corn seeds) caused FAW mortality exceeded 84.00% at 14 days after seedling emergence (DAE). The mortality of the binary mixtures were similar to either CHL (300 g.a.i.100 kg-1corn seeds) or CYA (144 g a.i.100 kg-1corn seeds), but higher than CLO (120 g.a.i.100 Kg-1corn seeds) or THI (180 g a.i.100 kg-1corn seeds). Two independent field experiments showed that both binary mixtures resulted in above 68.00% control efficacy at 14 DAE, suggesting that these insecticidal combinations could effectively control FAW over a relative long period. In addition, both binary mixtures showed no negative effects on the growth and development of corn seedlings. The residues of binary mixtures in corn leave were also lower at 28 DAE as compared to residues in CHL or CYA alone. Most importantly, the costs of CHL + CLO were reduced up to 50% and CYA + THI up to 20% when compared to singly used chemical. Totally, our results indicated that CHL + CLO and CYA + THI had the same control efficacy as CHL or CYA alone, but with much lower cost.

α-Linolenic Acid Suppresses Proliferation and Invasion in Osteosarcoma Cells via Inhibiting Fatty Acid Synthase.

Fatty acid synthase (FASN) is highly expressed in multiple types of human cancers and is recognized as one of the targets for treating cancer metastasis. α-Linolenic acid is an omega-3 essential fatty acid and it possesses various biological activities. The present study was designed to reveal the effects of α-linolenic acid on osteosarcoma and to reveal whether the mechanism of α-linolenic acid in anticancer activity may be related to FASN inhibition. The cytotoxicity of α-linolenic acid was assessed in osteosarcoma MG63, 143B, and U2OS cells. Cell viability was detected by the MTT assay. The protein expression level was detected by western blotting. Flow cytometry, Annexin V/propidium iodide dual staining, and Hoechst 33258 staining were performed to assess the apoptotic effects. Wound healing assay was applied to detect the inhibitory effect of α-linolenic acid on osteosarcoma cells migration. The results showed that α-linolenic acid downregulated FASN expression. α-Linolenic acid inhibited osteosarcoma cell proliferation and migration in a dose-dependent manner. In addition, α-linolenic acid regulated endoplasmic reticulum transmembrane receptors and signal protein expression in osteosarcoma cells. The findings of the present study suggested that α-linolenic acid suppresses osteosarcoma cell proliferation and metastasis by inhibiting FASN expression, which provides a basis as a potential target for osteosarcoma treatment.

Current Production Capability of Drug-Resistant Pathogen Enables Its Rapid Label-Free Detection Applicable to Wastewater-Based Epidemiology.

A rapid and label-free method for the detection of drug-resistant pathogens is in high demand for wastewater-based epidemiology. As recently shown, the extent of electrical current production (Ic) is a useful indicator of a pathogen's metabolic activity. Therefore, if drug-resistant bacteria have extracellular electron transport (EET) capability, a simple electric sensor may be able to detect not only the growth as a conventional plating technique but also metabolic activity specific for drug-resistant bacteria in the presence of antibiotics. Here, one of the multidrug-resistant pathogens in wastewater, Klebsiella pneumoniae, was shown to generate Ic, and the extent of Ic was unaffected by the microbial growth inhibitor, kanamycin, while the current was markedly decreased in environmental EET bacteria Shewanella oneidensis. Kanamycin differentiated Ic in K. pneumonia and S. oneidensis within 3 h. Furthermore, the detection of K. pneumoniae was successful in the presence of S. oneidensis in the electrochemical cell. These results clarify the advantage of detecting drug-resistant bacteria using whole-cell electrochemistry as a simple and rapid method to detect on-site drug-resistant pathogens in wastewater, compared with conventional colony counting, which takes a few days.

Ecotopic over-expression of PoCHS from Paeonia ostii altered the fatty acids composition and content in Arabidopsis thaliana.

Chalcone synthase (CHS) is the key enzyme in the flavonoid biosynthetic pathway and has been studied in many plants, but the function of the CHS gene has not been well characterized in Paeonia ostii. In this study, we obtained a CHS homolog gene from P. ostii, which possessed the putative conserved amino acids of chalcone synthase by multiple alignment analysis and demonstrated the highest expression in developing seeds. In vitro assays of the recombinant PoCHS protein confirmed enzymatic activity using malonyl-CoA and 4-coumaroyl-CoA as substrates, and the optimal pH and reaction temperature were 7.5 and 40 °C, respectively. Furthermore, ectopic over-expression of PoCHS in Arabidopsis up-regulated the expression levels of genes involved in seed development (ABI), glycolysis (PKp2, PDH-E1a, and SUS2/3), and especially fatty acid biosynthesis (BCCP2, CAC2, CDS2, FatA, and FAD3). This resulted in an increased unsaturated fatty acid content, especially α-linolenic acid, in transgenic Arabidopsis seeds. In this study, we examined the functions of CHS homolog of P. ostii and demonstrated its new function in seed fatty acid biosynthesis.

MiR-330-3p contributes to INS-1 cell dysfunction by targeting glucokinase in gestational diabetes mellitus.

AIMS: High-expressed miR-330-3p in gestational diabetes mellitus (GDM) patients was reported. However, the role and mechanism of miR-330-3p in GDM are rarely reported. In this research, we aim to investigate the effects of miR-330-3p on GDM. METHODS: MiR-330-3p expression in the GDM patients' blood was determined by q-PCR. Blood glucose of blood samples was detected using blood glucose detection kits. Glucokinase (GCK) was confirmed to be a target gene of miR-330-3p by bioinformatics and luciferase analysis. Correlations between miR-330-3p with GCK and blood glucose were analyzed by Pearson correlation analysis. After INS-1 cells were treated with glucose and transfected with mimic, inhibitor or siGCK, GCK expression was detected by western blot, and q-PCR, enzyme-linked immunosorbent assays, cell counting kit-8 and Annexin-V/propidium iodide were conducted to examine the expression of insulin, cell viability and apoptosis. RESULTS: MiR-330-3p was high-expressed in GDM patients' blood, while GCK was low-expressed. The miR-330-3p expression level positively correlated with blood glucoseand and it was highly expressed in glucose-treated INS-1 cells (11 and 22 mmol/L), while miR-330-3p expression negatively correlated with GCK expression. GCK expression was inhibited by miR-330-3p mimic and enhanced by the miR-330-3p inhibitor. MiR-330-3p mimic inhibited INS-1 cells' insulin expression, cell viability and induced apoptosis. Yet miR-330-3p inhibitor and siGCK exhibited opposite effects which miR-330-3p mimic and GCK played on INS-1 cells. In addition, siGCK reversed the effect of miR-330-3p inhibitor on INS-1 cells. CONCLUSION: Our findings proved that miR-330-3p targeting GCK lead to the dysfunction of INS-1 cells in GDM, and could become a therapeutic target for GDM treatment.

Nitrogen-doped carbon dots-V2O5 nanobelts sensing platform for sensitive detection of ascorbic acid and alkaline phosphatase activity.

In this work, the as-prepared V2O5 nanobelts can sensitively quench the fluorescence of nitrogen-doped carbon dots (N-CDs) based on the inner filter effect (IFE). In the presence of ascorbic acid (AA), the fluorescence of N-CDs can recover through the redox reaction between V2O5 nanobelts and AA. Meanwhile, in the presence of both alkaline phosphatase (ALP) and ascorbyl-2-phosphate (AAP), the fluorescence of N-CDs can also restore since AAP can be hydrolyzed into AA by ALP. Under optimum conditions, the linear range for AA is from 0.01 to 2.5 µM with a detection limit of 3 nM and that for ALP is from 0.1 to 30 U/L with a detection limit of 0.04 U/L (S/N = 3). Particularly, the proposed probe could be successfully used to detect AA and ALP in human serum samples. Furthermore, N-CDs can be applied in fluorescence imaging of Human breast cancer cells with satisfactory results.

Person-Job Fit and Innovation Behavior: Roles of Job Involvement and Career Commitment.

This study examines the effect of person-job fit on innovation behavior, highlighting the mediating role of job involvement and the moderating role of career commitment in this relationship. We tested our hypotheses using a sample of 474 employees from 30 IT enterprises in China's Pearl River Delta region. The results reveal that person-job fit influences innovation behavior by enhancing job involvement. In addition, career commitment strengthens the positive influence of person-job fit on both job involvement and innovation behavior. These findings are consistent with person-environment fit theory and identity theory. This research increases understanding of how person-job fit influences innovation behavior via job involvement and career commitment. Implications and managerial practice are also discussed at the end of the research.

Alpha-mangostin induces endoplasmic reticulum stress and autophagy which count against fatty acid synthase inhibition mediated apoptosis in human breast cancer cells.

BACKGROUND/AIMS: One of the most important metabolic hallmarks of breast cancer cells is enhanced lipogenesis. Increasing evidences suggest that fatty acid synthase (FAS) plays an important role in human breast cancer. Previously we discovered that alpha-mangostin showed apoptotic effect on human breast cancer cells via inhibiting FAS activity. The endoplasmic reticulum (ER) stress and autophagy are involved in cell apoptosis. However, the role of ER stress and autophagy in FAS inhibition induced apoptosis still remains unclear. METHODS: We evaluated the effects of alpha-mangostin on ER stress and autophagy in human breast cancer cells. Intracellular FAS activity was measured by a spectrophotometer at 340 nm of NADPH absorption. Cell Counting Kit assay was used to test the cell viability. Immunoblot analysis was performed to detect protein expression levels. Apoptotic effects were detected by flow cytometry. RESULTS: Alpha-mangostin induced endoplasmic reticulum stress and autophagy, both of which reduced the apoptotic effect of alpha-mangostin in MDA-MB-231 cells. Palmitic acid, the end product of FAS catalyzed reaction, rescued the ER stress and autophagy induced by alpha-mangostin. Cell apoptosis was markedly promoted by inhibiting ER stress and autophagy while treating cells with alpha-mangostin. CONCLUSION: We propose a hypothesis that a combination of FAS inhibition and ER stress and autophagy inhibition has an application potential in the chemoprevention and treatment of breast cancer.

Engineering the gain-bandwidth product of phototransistor diodes.

In recent years, phototransistors have considerably expanded their field of application, including for instance heterodyne detection and optical interconnects. Unlike in low-light imaging, some of these applications require fast photodetectors that can operate in relatively high light levels. Since the gain and bandwidth of phototransistors are not constant across different optical powers, the devices that have been optimized for operation in low light level cannot effectively be employed in different technological applications. We present an extensive study of the gain and bandwidth of short-wavelength infrared phototransistors as a function of optical power level for three device architectures that we designed and fabricated. The gain of the photodetectors is found to increase with increasing carrier injection. Based on a Shockley-Read-Hall recombination model, we show that this is due to the saturation of recombination centers in the phototransistor base layer. Eventually, at a higher light level, the gain drops, due to the Kirk effect. As a result of these opposing mechanisms, the gain-bandwidth product is peaked at a given power level, which depends on the device design and material parameters, such as doping and defect density. Guided by this physical understanding, we design and demonstrate a phototransistor which is capable of reaching a high gain-bandwidth product for high-speed applications. The proposed design criteria can be employed in conjunction with the engineering of the device size to achieve a wide tunability of the gain and bandwidth, hence paving the way toward fast photodetectors for applications with different light levels.

A new ultrasound nomogram for differentiating benign and malignant thyroid nodules.

OBJECTIVE: The Thyroid Imaging Reporting and Data System (TI-RADS) is commonly used for risk stratification of thyroid nodules. However, this system has a poor sensitivity and specificity. The aim of this study was to build a new model based on TI-RADS for evaluating ultrasound image patterns that offer improved efficacy for differentiating benign and malignant thyroid nodules. DESIGN AND PATIENTS: The study population consisted of 1092 participants with thyroid nodules. MEASUREMENTS: The nodules were analysed by the TI-RADS and the new model. The prediction properties and decision curve analysis of the nomogram were compared between the two models. RESULTS: The proportions of thyroid cancer and benign disease were 36.17% and 63.83%. The new model showed good agreement between the prediction and observation of thyroid cancer. The nomogram indicated excellent prediction properties with an area under the curve (AUC) of 0.946, sensitivity of 0.884 and specificity of 0.917 for training data as well as a high sensitivity, specificity, negative predictive value and positive predictive value for the validation data also. The optimum cut-off for the nomogram was 0.469 for predicting cancer. The decision curve analysis results corroborated the good clinical applicability of the nomogram and the TI-RADS for predicting thyroid cancer with wide and practical ranges for threshold probabilities. CONCLUSIONS: Based on the TI-RADS, we built a new model using a combination of ultrasound patterns including margin, shape, echogenic foci, echogenicity and nodule halo sign with age to differentiate benign and malignant thyroid nodules, which had high sensitivity and specificity.

Tunnelling and barrier-less motions in the 2-fluoroethanol-water complex: a rotational spectroscopic and ab initio study.

The pure rotational spectrum of the 2-fluoroethanol (2-FE)water complex was measured using a chirped pulse Fourier-transform microwave spectrometer and a cavity-based Fourier-transform microwave spectrometer. In the detected 2-FEwater conformer, 2-FE serves as a proton donor, in contrast to its role in the observed ethanolwater conformer, while water acts simultaneously as a hydrogen bond donor and acceptor, forming a hydrogen-bonded ring with an OHO and an OHF hydrogen bond. Comparison to the calculated dipole moment components suggests that the observed structure sits between the two most stable minima identified theoretically. This conclusion is supported by extensive deuterium isotopic data. Further analysis shows that these two minima are connected by a barrier-less wagging motion of the non-bonded hydrogen of the water subunit. The observed narrow splitting with a characteristic 3 : 1 intensity ratio is attributed to an exchange of the bonded and non-bonded hydrogen atoms of water. The tunneling barrier of a proposed tunneling path is calculated to be as low as 5.10 kJ mol-1. A non-covalent interaction analysis indicates that the water rotation motion along the tunneling path has a surprisingly small effect on the interaction energy between water and 2-FE.

The Associations Between Helicobacter pylori Infection, Serum Vitamin D, and Metabolic Syndrome: A Community-Based Study.

The associations between Helicobacter pylori infection, serum vitamin D level, and metabolic syndrome (MS) are controversial. The present community-based study aimed to investigate the effect of H pylori infection and serum vitamin D deficiency on MS development.Individuals from the northeastern region of Taiwan were enrolled in a community-based study from March, 2014 to August, 2015. All participants completed a demographic survey and underwent the urea breath test (UBT) to detect H pylori infection as well as blood tests to determine levels of vitamin D, adiponectin, leptin, and high-sensitivity C-reactive protein. The ATP III criteria for MS were used in this study.A total of 792 men and 1321 women were enrolled. The mean age was 56.4 ±â€Š13.0 years. After adjusting for age and sex, the estimated odds of MS development for a UBT-positive subject were 1.503 (95% confidence interval [CI]: 1.206-1.872, P < 0.001) when compared to a UBT-negative subject. For participants with vitamin D deficiency (<20 ng/mL), the odds of MS development were 1.423 (95% CI: 1.029-1.967, P = 0.033) when compared to those with sufficient vitamin D level (>30 ng/mL). For participants with both H pylori infection and vitamin D deficiency, the odds of MS development were 2.140 (95% CI: 1.348-3.398, P = 0.001) when compared to subjects without H pylori infection and with sufficient vitamin D levels.H pylori infection and vitamin D deficiency could be predictors of MS. For individuals with both H pylori infection and vitamin D deficiency, the odds of MS development were 2.140 when compared to individuals without H pylori infection and with sufficient vitamin D levels.

Design, synthesis and biological evaluation of di-substituted cinnamic hydroxamic acids bearing urea/thiourea unit as potent histone deacetylase inhibitors.

A novel class of di-substituted cinnamic hydroxamic acid derivatives containing urea or thiourea unit was designed, synthesized and evaluated as HDAC inhibitors. All tested compounds demonstrated significant HDAC inhibitory activities and anti-proliferative effects against diverse human tumor cell lines. Among them, 7l exhibited most potent pan-HDAC inhibitory activity, with an IC50 value of 130 nM. It also showed strong cellular inhibition against diverse cell lines including HCT-116, MCF-7, MDB-MB-435 and NCI-460, with GI50 values of 0.35, 0.22, 0.51 and 0.48 µM, respectively.