Gas-phase anionic complexes of alkali metal ions and peptides: Structure and collision activated decompositions

Alkali metal ions and anionic peptides can be desorbed into the gas phase to give metal-bound peptides and bis(peptide) complexes bearing a ? 1 charge. Although amide nitrogens of peptide bonds are deprotonated in the gas phase by alkali metal ions, this reacion does not occur in solution. Metal-bound dipeptide anions exist as a single structure, whereas those of tripeptide complexes have three structures as revealed by tandem mass spectrometric studies. Ions of bis(peptide) complexes of alkali metals decompose upon collisional activation principally to form deprotonated peptides, in contrast to bis(peptide) complexes of alkaline earth metal ions, which undergo elimination of a neutral peptide.     

The Rapid Non-Destructive Detection of Adulteration and Its Degree of Tieguanyin by Fluorescence Hyperspectral Technology

Tieguanyin is one of the top ten most popular teas and the representative of oolong tea in China. In this study, a rapid and non-destructive method is developed to detect adulterated tea and its degree. Benshan is used as the adulterated tea, which is about 0%, 10%, 20%, 30%, 40%, and 50% of the total weight of tea samples, mixed with Tieguanyin. Taking the fluorescence spectra from 475 to 1000 nm, we then established the 2-and 6-class discriminant models. The 2-class discriminant models had the best evaluation index when using SG-CARS-SVM, which can reach a 100.00% overall accuracy, 100.00% specificity, 100% sensitivity, and the least time was 1.2088 s, which can accurately identify pure and adulterated tea; among the 6-class discriminant models (0% (pure Tieguanyin), 10, 20, 30, 40, and 50%), with the increasing difficulty of adulteration, SNV-RF-SVM had the best evaluation index, the highest overall accuracy reached 94.27%, and the least time was 0.00698 s. In general, the results indicated that the two classification methods explored in this study can obtain the best effects. The fluorescence hyperspectral technology has a broad scope and feasibility in the non-destructive detection of adulterated tea and other fields.     

Bruch’s-Mimetic Nanofibrous Membranes Functionalized with the Integrin-Binding Peptides as a Promising Approach for Human Retinal Pigment Epithelium Cell Transplantation

Background: This study aimed to develop an ultrathin nanofibrous membrane able to, firstly, mimic the natural fibrous architecture of human Bruch’s membrane (BM) and, secondly, promote survival of retinal pigment epithelial (RPE) cells after surface functionalization of fibrous membranes. Methods: Integrin-binding peptides (IBPs) that specifically interact with appropriate adhesion receptors on RPEs were immobilized on Bruch’s-mimetic membranes to promote coverage of RPEs. Surface morphologies, Fourier-transform infrared spectroscopy spectra, contact angle analysis, Alamar Blue assay, live/dead assay, immunofluorescence staining, and scanning electron microscopy were used to evaluate the outcome. Results: Results showed that coated membranes maintained the original morphology of nanofibers. After coating with IBPs, the water contact angle of the membrane surfaces varied from 92.38 ± 0.67 degrees to 20.16 ± 0.81 degrees. RPE cells seeded on IBP-coated membranes showed the highest viability at all time points (Day 1, p < 0.05; Day 3, p < 0.01; Days 7 and 14, p < 0.001). The proliferation rate of RPE cells on uncoated poly(ε-caprolactone) (PCL) membranes was significantly lower than that of IBP-coated membranes (p < 0.001). SEM images showed a well-organized hexa/polygonal monolayer of RPE cells on IBP-coated membranes. RPE cells proliferated rapidly, contacted, and became confluent. RPE cells formed a tight adhesion with nanofibers under high-magnification SEM. Our findings confirmed that the IBP-coated PCL membrane improved the attachment, proliferation, and viability of RPE cells. In addition, in this study, we used serum-free culture for RPE cells and short IBPs without immunogenicity to prevent graft rejection and immunogenicity during transplantation. Conclusions: These results indicated that the biomimic BM-IBP-RPE nanofibrous graft might be a new, practicable approach to increase the success rate of RPE cell transplantation.     

Machine Learning Approaches for Metalloproteins

Metalloproteins are a family of proteins characterized by metal ion binding, whereby the presence of these ions confers key catalytic and ligand-binding properties. Due to their ubiquity among biological systems, researchers have made immense efforts to predict the structural and functional roles of metalloproteins. Ultimately, having a comprehensive understanding of metalloproteins will lead to tangible applications, such as designing potent inhibitors in drug discovery. Recently, there has been an acceleration in the number of studies applying machine learning to predict metalloprotein properties, primarily driven by the advent of more sophisticated machine learning algorithms. This review covers how machine learning tools have consolidated and expanded our comprehension of various aspects of metalloproteins (structure, function, stability, ligand-binding interactions, and inhibitors). Future avenues of exploration are also discussed.     

Rapid Screening of Lipase Inhibitors from Ophiopogonis Radix Using High-Performance Thin Layer Chromatography by Two Step Gradient Elution Combined with Bioautographic Method

In this study, a high-performance thin layer chromatography (HPTLC) method by two step gradient elution with two mobile phases was developed for the simultaneous analysis of seven constituents in Ophiopogonis Radix. The chromatography was performed on silica gel 60 F₂₅₄ plate with dichloromethane-methanol-ethyl acetate-water (70:25:12:3, v/v/v/v) and dichloromethane-methanol (300:1, v/v) as the mobile phase for two step gradient elution. Then, the HPTLC profiles were observed after derivatization with 10% sulfuric acid in ethanol solution. The obtained HPTLC images were further analyzed by chemometric approaches and the samples could be clustered based on regions and/or growth years, which were two important factors affecting the constituents in Ophiopogonis Radix. Furthermore, five compounds including ophiopogonin D, ophiopojaponin C, ophiopogonin D’, ophiopogonin C’ and methylophiopogonanone B were screened as potential lipase inhibitors from Ophiopogonis Radix by the HPTLC-bioautographic method. The binding modes and interactions between the five compounds and lipase were further explored by molecular docking analysis. The developed HPTLC method could be used for quality control of Ophiopogonis Radix and screening of the potential lipase inhibitors.     

Multi-scale Fractured Coal Gas–Solid Coupling Model and Its Applications in Engineering Projects

With coal mining entering the geological environment of “high stress, rich gas, strong adsorption and low permeability,” the difficulty of joint coal and gas extraction clearly augments, the risk of solid–gas coupling dynamic disasters greatly increases, and the underlying mechanisms become more complex. In this paper, based on the characteristics of coal’s multi-scale structure and spatiotemporal variation, the multi-scale fractured coal gas–solid coupling model (MSFM) was built. In this model, the interaction between coal matrix and its fractures and the mechanical characteristics of gas-bearing coal were considered, as well as their coupling relationship. By MATLAB software, the stress–damage–seepage numerical computation programs were developed, which were applied into Comsol Multiphysics to simulate gas flow caused by coal mining. The simulation results showed the spatial variability of coal elastic modulus and cross-flow behaviors of coal seam gas, which were superior to the results of traditional gas–solid coupling model. And the numerical results obtained from MSFM were closer to the measured results in field, while the computation results of traditional model were slightly higher than the measured results. Furthermore, the MSFM in a large scale was verified by field engineering project.     

Free-Space QKD with Modulating Retroreflectors Based on the B92 Protocol

Free-space quantum key distribution (QKD) has attracted considerable attention due to its lower channel loss and link flexibility. It allows two participants share theoretical unconditional secure keys, and can potentially be applied to air-to-ground quantum communication to establish a global quantum network. Free-space QKD using modulating retro-reflectors (MRR-QKD) significantly reduces the pointing requirement and simplifies the structure of the mobile terminal, therefore making it suitable for lightweight aircraft such as unmanned aerial vehicle and Cubesat, etc. Based on intensity modulation of two non-orthogonal states and the B92 protocol, we proposed a scheme to improve the previous work (Optics Express 2018, 26, 11331). Our scheme simplifies the optical structure and shows more robustness in equipment imperfection. The analysis and simulation show that the number of multiple quantum well modulators needed in our scheme decreases from eight to three with similar performance. Additionally, while the previous scheme cannot work due to low modulator extinction ratio or high optical misalignment, our scheme can still operate.     

Modules of the Intermediate Series over Not-finitely Graded Lie Algebras W(Γ)

Let W(Γ)be a class of not-finitely graded Lie algebras related to gener-alized Virasoro algebras with basis{Lα,i,C | α ∈ Γ,i ∈ Z+},which satisfies relations[Lα,i,Lβ,j]=(β-α)Lα+β,i+j+(j-i)Lα+β,i+j+1+δα+β,0δi+j,0α3-α/12C and[C,Lα,i]=0.In this paper,W(Γ)-modules of the intermediate series satisfying some conditions are con-structed and classified.We also obtain modules of the intermediate series over the related Lie superalgebra.     

Effect of Mie resonance on photocatalytic hydrogen evolution over dye-sensitized hollow C-TiO_2 nanoshells under visible light irradiation

Light utilization is one of the key factors for the improvement of photocatalytic perfo rmance.He rein,we design C-TiO_2 hollow nanoshells with strong Mie resonance for enhanced photocatalytic hydrogen evolution in a dye-sensitized system under visible light irradiation(λ≥420 nm).By tuning the inner diameters of hollow nanoshells,the Mie resonance in hollow nanoshells is adjusted for better excitation of dye molecules,which thus greatly enhances the light utilization in visible light region.This work shows the potential of Mie resonance in nanoshells can be an alternative strategy to increase the light utilization for photocatalysis.     

分数阶微分方程的比较定理

本文给出了非线性Riemann—Liouville分数阶微分方程和Caputo分数阶微分方程与相应的非线性Volterra积分方程的等价性,并在此基础上建立了分数阶微分方程的比较定理．