bluuebunny/crossref_metadata_2025 huggingface dataset:
Mechanics Characteristics of a 3D Star-Shaped Negative Poisson’s Ratio Composite Structure
Authors: Yang Linyi , Ye Mao , Huang Yonghui , Dong Jingkun
Published: May 2023

A negative Poisson’s ratio honeycomb material has the characteristics of anti-conventional deformation behavior and high impact resistance, which is a new lightweight microstructure material with broad application prospects. However, most of the current research is still at the microscopic level and two-dimensional level, and little research has been carried out for three-dimensional structures. Compared with the two-dimensional level, three-dimensional negative Poisson’s ratio structural mechanics metamaterials have the advantages of a lighter mass, higher material utilization, and more stable mechanical properties, and they have great potential for development in the fields of aerospace, the defense industry, and vehicles and ships. This paper presents a novel 3D star-shaped negative Poisson’s ratio cell and composite structure, inspired by the octagon-shaped 2D negative Poisson’s ratio cell. The article carried out a model experimental study with the help of 3D printing technology and compared it with the numerical simulation results. The effects of structural form and material properties on the mechanical characteristics of 3D star-shaped negative Poisson’s ratio composite structures were investigated through a parametric analysis system. The results show that the error of the equivalent elastic modulus and the equivalent Poisson’s ratio of the 3D negative Poisson’s ratio cell and the composite structure is within 5%. The authors found that the size of the cell structure is the main factor affecting the equivalent Poisson’s ratio and the equivalent elastic modulus of the star-shaped 3D negative Poisson’s ratio composite structure. Furthermore, among the eight real materials tested, rubber exhibited the best negative Poisson’s ratio effect, while the copper alloy showed the best effect among the metal materials, with a Poisson’s ratio between −0.058 to −0.050.
Examination of the Corrosion Behavior of Shape Memory NiTi Material for Biomedical Applications
Authors: Soltan Aboujaila A. M. , Esen İsmail , Kara Seyit Ali , Ahlatçı Hayrettin
Published: May 2023

In this study, corrosion and wear tests of NiTi alloy (Ni 55%–Ti 45%) samples, known as shape memory alloy, which offer a shape recovery memory effect between memory temperatures ranging from 25 to 35 °C, have been carried out. The standard metallographically prepared samples’ microstructure images were obtained using an optical microscope device and SEM with an EDS analyzer. For the corrosion test, the samples are immersed with a net into the beaker of synthetic body fluid, whose contact with the standard air is cut off. Electrochemical corrosion analyses were performed after potentiodynamic testing in synthetic body fluid and at room temperature. The wear tests of the investigated NiTi superalloy were carried out by performing reciprocal wear tests under 20 N and 40 N loads in a dry environment and body fluid. During wear, a 100CR6-quality steel ball of the counter material was rubbed on the sample surface for a total of 300 m with a unit line length of 13 mm and a sliding speed of 0.04 m/s. As a result of both the potentiodynamic polarization and immersion corrosion tests in the body fluid, an average of 50% thickness reduction in the samples was observed in proportion to the change in the corrosion current values. In addition, the weight loss of the samples in corrosive wear is 20% less than that in dry wear. This can be attributed to the protective effect of the oxide film on the surface at high loads and the effect of reducing the friction coefficient of the body fluid.
Advancing Simultaneous Localization and Mapping with Multi-Sensor Fusion and Point Cloud De-Distortion
Authors: Shao Haiyan , Zhao Qingshuai , Chen Hongtang , Yang Weixin , Chen Bin , Feng Zhiquan , Zhang Jinkai , Teng Hao
Published: May 2023

This study addresses the challenges associated with incomplete or missing information in obstacle detection methods that employ a single sensor. Additionally, it tackles the issue of motion distortion in LiDAR point cloud data during synchronization and mapping in complex environments. The research introduces two significant contributions. Firstly, a novel obstacle detection method, named the point-map fusion (PMF) algorithm, was proposed. This method integrates point cloud data from the LiDAR, camera, and odometer, along with local grid maps. The PMF algorithm consists of two components: the point-fusion (PF) algorithm, which combines LiDAR point cloud data and camera laser-like point cloud data through a point cloud library (PCL) format conversion and concatenation, and selects the most proximate point cloud to the quadruped robot dog as the valid data; and the map-fusion (MF) algorithm, which incorporates local grid maps acquired using the Gmapping and OctoMap algorithms, leveraging Bayesian estimation theory. The local grid maps obtained by the Gmapping and OctoMap algorithms are denoted as map A and map B, respectively. This sophisticated methodology enables seamless map fusion, which significantly enhances the precision and reliability of the approach. Secondly, a motion distortion removal (MDR) method for LiDAR point cloud data based on odometer readings was proposed. The MDR method utilizes legged odometer data for linear data interpolation of the original distorted LiDAR point cloud data, facilitating the determination of the corresponding pose of the quadruped robot dog. Subsequently, the LiDAR point cloud data are then transformed to the quadruped robot dog coordinate system, efficiently mitigating motion distortion. Experimental results demonstrated that the proposed PMF algorithm achieved a 50% improvement in success rate compared to using only LiDAR or the PF algorithm in isolation, while the MDR algorithm enhanced mapping accuracy by 45.9% when motion distortion was taken into account. The effectiveness of the proposed methods was confirmed through rigorous experimentation.
Analyzing the Impacts of Inbound Flight Delay Trends on Departure Delays Due to Connection Passengers Using a Hybrid RNN Model
Authors: Yhdego Tsegai O. , Wei An-Tsun , Erlebacher Gordon , Wang Hui , Tejada Miguel G.
Published: May 2023

Some delay patterns are correlated to historical performance and can reflect the trend of delays in future flights. A typical example is the delay from an earlier inbound flight causing delayed departure of a connecting and downstream outbound flight. Specifically, if an arriving aircraft arrives late, the connecting airline may decide to wait for connecting passengers. Due to the consistent flow of passengers to various destinations during a travel season, similar delay patterns could occur in future days/weeks. Airlines may analyze such trends days or weeks before flights to anticipate future delays and redistribute resources with different priorities to serve those outbound flights that are likely to be affected by feeder delays. In this study, we use a hybrid recurrent neural network (RNN) model to estimate delays and project their impacts on downstream flights. The proposed model integrates a gated recurrent unit (GRU) model to capture the historical trend and a dense layer to capture the short-term dependency between arrival and departure delays, and, then, integrates information from both branches using a second GRU model. We trained and tuned the model with data from nine airports in North, Central, and South America. The proposed model outperformed alternate approaches with traditional structures in the testing phase. Most of the predicted delay of the proposed model were within the predefined 95% confidence interval. Finally, to provide operational benefits to airline managers, our analysis measured the future impact of a potentially delayed inbound feeder, (PDIF) in a case study, by means of identifying the outbound flights which might be affected based on their available connection times (ACTs). From an economic perspective, the proposed algorithm offers potential cost savings for airlines to prevent or minimize the impact of delays.
Studies on Finite Element Analysis in Hydroforming of Nimonic 90 Sheet
Authors: Ahamed J Fakrudeen Ali , Chinnaiyan Pandivelan
Published: May 2023

The primary goal of this study was to investigate the formability of Nimonic 90 sheet which performs well at high temperatures and pressures, making it ideal for applications in the aerospace, processing, and manufacturing industries. In this present study, finite element analysis (FEA) and optimization of process parameters for formability of Nimonic 90 in sheet hydroforming were investigated. The material’s mechanical properties were obtained by uniaxial tensile tests as per the standard ASTM E8/E8M. The sheet hydroforming process was first simulated to obtain maximum pressure (53.46 MPa) using the FEA and was then validated using an experiment. The maximum pressure obtained was 50.5 MPa in experimentation. Since fully experimental or simulation designs are impractical, the Box–Behnken design (BBD) was used to investigate various process parameters. Formability was measured by the forming limit diagram (FLD) and maximum deformation achieved without failure. Analysis of variance (ANOVA) results also revealed that pressure and thickness were the most effective parameters for achieving maximum deformation without failure. Response surface methodology (RSM) optimizer was used to predict optimized process parameter to achieve maximized response (deformation) without failure. Experimental validation was carried out for the optimized parameters. The percentage of error between experimental and simulation results for maximum deformation was less than 5%. The findings revealed that all the aspects in the presented regression model and FEM simulation were effective on response values.
Feature Selection Using Golden Jackal Optimization for Software Fault Prediction
Authors: Das Himansu , Prajapati Sanjay , Gourisaria Mahendra Kumar , Pattanayak Radha Mohan , Alameen Abdalla , Kolhar Manjur
Published: May 2023

A program’s bug, fault, or mistake that results in unintended results is known as a software defect or fault. Software flaws are programming errors due to mistakes in the requirements, architecture, or source code. Finding and fixing bugs as soon as they arise is a crucial goal of software development that can be achieved in various ways. So, selecting a handful of optimal subsets of features from any dataset is a prime approach. Indirectly, the classification performance can be improved through the selection of features. A novel approach to feature selection (FS) has been developed, which incorporates the Golden Jackal Optimization (GJO) algorithm, a meta-heuristic optimization technique that draws on the hunting tactics of golden jackals. Combining this algorithm with four classifiers, namely K-Nearest Neighbor, Decision Tree, Quadrative Discriminant Analysis, and Naive Bayes, will aid in selecting a subset of relevant features from software fault prediction datasets. To evaluate the accuracy of this algorithm, we will compare its performance with other feature selection methods such as FSDE (Differential Evolution), FSPSO (Particle Swarm Optimization), FSGA (Genetic Algorithm), and FSACO (Ant Colony Optimization). The result that we got from FSGJO is great for almost all the cases. For many of the results, FSGJO has given higher classification accuracy. By utilizing the Friedman and Holm tests, to determine statistical significance, the suggested strategy has been verified and found to be superior to prior methods in selecting an optimal set of attributes.
Topological Properties and Entropy Calculations of Aluminophosphates
Authors: Vijay Jeyaraj Sahaya , Roy Santiago , Beromeo Bheeter Charles , Husin Mohamad Nazri , Augustine Tony , Gobithaasan R.U. , Easuraja Michael
Published: May 2023

Topological indices are invariant numerical quantities of a graph that give facts about the structure of graphs and are found to be very helpful in predicting the physical properties of aluminophosphates. The characteristics of aluminophosphates are similar to the characteristics of zeolites. Two examples of current applications are natural gas dehydration and humidity sensors. Researchers in chemistry and materials science are synthesizing new frameworks. There are many layers and holes in these substances. The technique used to predict natural behaviors among the physicochemical characteristics of chemical molecules in their basic network is known as topological indices. This study explains the vertex version of distance-based topological indices, the entropy of topological indices and their numerical analysis.
Multidimensional Preference Game and Extreme Dispute Resolution for Optimal Compensation of House Expropriation
Authors: Qiu Linshu , Yang Dongxiao , Hong Kairong
Published: May 2023

Although the compensation for house expropriation has increased significantly in recent years, the conflicts persist. The subjects in the expropriation process have multiple behavioral preferences, such as self-interest, loss aversion, and inequity aversion, and the expropriation process is hampered by extreme disputes on expropriation compensation. In order to make the houseowners agree to the expropriation immediately and tackle the root of extreme disputes, this paper establishes a two-stage sequential game model involving local government and two houseowners, analyzes the different payoff situations under multidimensional preferences, and finds out the optimal compensation standard. Then, through a case analysis, the TOPSIS method is used to determine the ideal strategy when the houseowners are simultaneously considering three preferences. The optimal compensation standard’s value is discovered to be significantly influenced by the houseowners’ behavioral preferences, but the compensation cannot be raised by excessive attention to the reference point and other houseowners.
New Advances in Female Pelvic Floor Dysfunction Management
Authors: Braga Andrea , Serati Maurizio
Published: May 2023

Pelvic floor dysfunctions (PFDs), which include various disorders such as urinary and anal incontinence, pelvic organ prolapse, and sexual disorders, are widespread amongst females, so much so that they affect one fifth of adult women [...]
The Influence of the Q-Angle and Muscle Strength on Idiopathic Anterior Knee Pain in Adolescents
Authors: Milovanović Darko , Begović Ninoslav , Bukva Bojan , Dučić Siniša , Vlahović Aleksandar , Paunović Zoran , Kadija Marko , Topalović Nikola , Stijak Lazar
Published: May 2023

Background and Objectives: Idiopathic anterior knee pain is a common condition in adolescents and is mostly of unknown cause. The aim of this study was to examine the influence of the Q-angle and muscle strength on idiopathic anterior knee pain. Materials and Methods: Seventy-one adolescents (41 females and 30 males) diagnosed with anterior knee pain were included in this prospective study. The extensor strength in the knee joint and the Q-angle were monitored. The healthy extremity was used as a control. The Student’s paired sample t-test was applied for testing the difference. Statistical significance was set at 0.05. Results: There was no statistically significant difference in the Q-angle value between the idiopathic AKP and the healthy extremity (p > 0.05) within the entire sample. A statistically significant higher Q-angle of the idiopathic AKP knee (p < 0.05) was obtained in the female subgroup. No statistically significant difference (p > 0.05) was found in the male subgroup. Within the male subgroup, the strength of the extensors within the knee joint of the healthy extremity had statistically significant higher values than the strength of these muscles in the affected extremity (p < 0.05). Conclusion: A greater Q-angle is a risk factor linked to anterior knee pain within the female population. Decreased muscle strength of knee joint extensors is a risk factor linked to anterior knee pain in both sex subgroups.
The Ethnopharmacological Properties of Green-Engineered Metallic Nanoparticles against Metabolic Disorders
Authors: Rana Neha , Singh Sandeep Kumar , Banu Najitha A. , Hjazi Ahmed , Vamanu Emanuel , Singh Mahendra P.
Published: May 2023

Metabolic syndrome is a multifaceted pathophysiologic condition that is largely caused by an imbalance between caloric intake and energy expenditure. The pathogenesis of metabolic syndrome is determined by an individual’s genetic/epigenetics and acquired factors. Natural compounds, notably plant extracts, have antioxidant, anti-inflammatory, and insulin-sensitizing properties and are considered to be a viable option for metabolic disorder treatment due to their low risk of side effects. However, the limited solubility, low bioavailability, and instability of these botanicals hinder their performance. These specific limitations have prompted the need for an efficient system that reduces drug degradation and loss, eliminates unwanted side effects, and boosts drug bioavailability, as well as the percentage of the drug deposited in the target areas. The quest for an enhanced (effective) drug delivery system has led to the formation of green-engineered nanoparticles, which has increased the bioavailability, biodistribution, solubility, and stability of plant-based products. The unification of plant extracts and metallic nanoparticles has helped in the development of new therapeutics against metabolic disorders such as obesity, diabetes mellitus, neurodegenerative disorders, non-alcoholic fatty liver, and cancer. The present review outlines the pathophysiology of metabolic diseases and their cures with plant-based nanomedicine.
Permeation of a Homologous Series of NBD-Labeled Fatty Amines through Lipid Bilayers: A Molecular Dynamics Study
Authors: Filipe Hugo A. L. , Loura Luís M. S. , Moreno Maria João
Published: May 2023

Permeation through biomembranes is ubiquitous for drugs to reach their active sites. Asymmetry of the cell plasma membrane (PM) has been described as having an important role in this process. Here we describe the interaction of a homologous series of 7-nitrobenz-2-oxa-1,3-diazol-4-yl (NBD)-labeled amphiphiles (NBD-Cn, n = 4 to 16) with lipid bilayers of different compositions (1-palmitoyl, 2-oleoyl-sn-glycero-3-phosphocholine (POPC):cholesterol (1:1) and palmitoylated sphingomyelin (SpM):cholesterol (6:4)), including an asymmetric bilayer. Both unrestrained and umbrella sampling (US) simulations (at varying distances to the bilayer center) were carried out. The free energy profile of NBD-Cn at different depths in the membrane was obtained from the US simulations. The behavior of the amphiphiles during the permeation process was described regarding their orientation, chain elongation, and H-bonding to lipid and water molecules. Permeability coefficients were also calculated for the different amphiphiles of the series, using the inhomogeneous solubility-diffusion model (ISDM). Quantitative agreement with values obtained from kinetic modeling of the permeation process could not be obtained. However, for the longer, and more hydrophobic amphiphiles, the variation trend along the homologous series was qualitatively better matched by the ISDM when the equilibrium location of each amphiphile was taken as reference (ΔG = 0), compared to the usual choice of bulk water.
High-Efficiency CsPbBr3 Light-Emitting Diodes using One-Step Spin-Coating In Situ Dynamic Thermal Crystallization
Authors: Zhang Buyue , Chen Chen , Chen Xinyu
Published: May 2023

All-inorganic perovskite materials (such as CsPbBr3) have received widespread attention because of their better stability than hybrid counterparts, but their poor film morphology and crystalline quality limit their application in perovskite light-emitting devices (PeLEDs). Some previous studies have attempted to improve the morphology and crystalline quality of perovskite films by heating the substrate, but there are still some problems such as inaccurate temperature control, excessive temperature is not conducive to flexible applications, and the mechanism of action is not clear. In this work, we used a one-step spin-coating, low-temperature in situ thermally assisted crystallization process, in which the temperature was accurately monitored using a thermocouple in the range of 23–80 °C, and explored the effect of the in situ thermally assisted crystallization temperature on the crystallization of the all-inorganic perovskite material CsPbBr3 and the performance of PeLEDs. In addition, we focused on the influence mechanism for the in situ thermally assisted crystallization process on the surface morphology and phase composition of the perovskite films and promote its possible application in inkjet printing and scratch coating methods.
Research on the Comparison Properties of PDMS Specimens Demolding Processes and the Mechanical Performance of Hollow-Solid Ratios of Flexible Telescopic Rods
Authors: Shang Ruining , Li Xiaona , Wu Xiaogang , Chen Weiyi
Published: May 2023

The main motivation of this work was to demonstrate a hollow telescopic rod structure that could be used for minimally invasive surgery. The telescopic rods were fabricated using 3D printing technology to make mold flips. During fabrication, differences in biocompatibility, light transmission, and ultimate displacement were compared between telescopic rods fabricated via different processes, so as to select the appropriate process. To achieve these goals, flexible telescopic rod structures were designed and 3D-printed molds were fabricated using Fused Deposition Modeling (FDM) and Stereolithography (SLA) techniques. The results showed that the three molding processes had no impact on the doping of the PDMS specimens. However, the FDM molding process had lower surface flatness accuracy compared to SLA. The SLA mold flip fabrication exhibited superior surface accuracy and light transmission compared to the other methods. The sacrificial template method and the use of HTL direct demolding technique had no significant impact on cellular activity and biocompatibility, but the mechanical properties of the PDMS specimens were weakened after swelling recovery. The height and radius of the hollow rod were found to have a significant impact on the mechanical properties of the flexible hollow rod. The hyperelastic model was fitted appropriately with the mechanical test results, and the ultimate elongation increased with an increase in hollow–solid ratios under the uniform force.
A Novel Scheme for Full Bottom Dielectric Isolation in Stacked Si Nanosheet Gate-All-Around Transistors
Authors: Yang Jingwen , Huang Ziqiang , Wang Dawei , Liu Tao , Sun Xin , Qian Lewen , Pan Zhecheng , Xu Saisheng , Wang Chen , Wu Chunlei , Xu Min , Zhang David Wei
Published: May 2023

In this paper, a novel scheme for source/drain-first (S/D-first) full bottom dielectric isolation (BDI), i.e., Full BDI_Last, with integration of a sacrificial Si0.5Ge0.5 layer was proposed and demonstrated in a stacked Si nanosheet gate-all-around (NS-GAA) device structure using TCAD simulations. The proposed full BDI scheme flow is compatible with the main process flow of NS-GAA transistor fabrication and provides a large window for process fluctuations, such as the thickness of the S/D recess. It is an ingenious solution to insert the dielectric material under the source, drain and gate regions to remove the parasitic channel. Moreover, because the S/D-first scheme decreases the problem of high-quality S/D epitaxy, the innovative fabrication scheme introduces full BDI formation after S/D epitaxy to mitigate the difficulty of providing stress engineering in the full BDI formation before S/D epitaxy (Full BDI_First). The electrical performance of Full BDI_Last is demonstrated by a 4.78-fold increase in the drive current compared to Full BDI_First. Furthermore, compared to traditional punch through stoppers (PTSs), the proposed Full BDI_Last technology could potentially provide an improved short channel behavior and good immunity against parasitic gate capacitance in NS-GAA devices. For the assessed inverter ring oscillator (RO), applying the Full BDI_Last scheme allows the operating speed to be increased by 15.2% and 6.2% at the same power, or alternatively enables an 18.9% and 6.8% lower power consumption at the same speed compared with the PTS and Full BDI_First schemes, respectively. The observations confirm that the novel Full BDI_Last scheme incorporated into an NS-GAA device can be utilized to enable superior characteristics to benefit the performance of integrated circuits.
Petrogenesis of the Granitic Dykes in the Yangshan Gold Belt: Insights from Zircon U-Pb Chronology, Petrography, and In-Situ Hf Isotope Analysis
Authors: Yang Zhonghu , Li Jianzhong , Xiong Tao , Huang Yong , Lamu Ciren , Zhao Yang , Wei Wei
Published: May 2023

The Yangshan gold belt is renowned for its igneous rock formations, particularly dykes that form in tectonically weak zones. Some of these rock formations exhibit a close spatial relationship with gold mineralization, and a tiny portion of the granitic dykes serve as gold ore bodies by themselves. In order to investigate the nature of granitic dykes and their association with gold mineralization, we conducted a comprehensive study consisting of zircon U-Pb chronology, petrography, and in situ Hf isotope analysis of 25 granitic dyke samples collected from east to west across the belt. According to LA-ICP-MS zircon U-Pb dating results, the granitic dykes inherited zircon ages that are concentrated between 745.0 and 802.0 Ma, and magmatic intrusion ages that mainly fall between 201.0 and 213 Ma. Moreover, the granitic dykes display a calc-alkaline to high-K calc-alkaline peraluminous series, which is relatively enriched in light over heavy REE, with moderate Eu anomalies. These dykes are rich in large-ion lithophile elements and poor in high-field-strength elements. The zircon Lu-Hf isotope data range from εHf(t) values of −1.5 to 0.1, mantle model (TDM1) ages range from 859 to 937 Ma, and crustal model (TDM2) ages range from 1111 to 1218 Ma. The granitic dykes found in the Yangshan gold belt were formed between 200 and 213 Ma ago, during a period of intracontinental extension following the late collision between the Yangtze plate and Qinling microplates. These dykes originated from the volcanic basement of the Mesoproterozoic Bikou Group, which was formed by the melting of the upper crust under the crustal thickening caused by the subduction and collision of the Qinling microplate. Subsequently, the dykes were transported along a tectonically weak zone, assimilating surrounding rocks and undergoing a transformation from “I”-type to “S”-type granite before finally evolving into granite with specific “A”-type characteristics. Our study provides new insights into the petrogenesis of granitic dykes in the Yangshan gold belt, as well as the relationship between gold mineralization and magmatic activity, which has significant implications for mineral exploration and the geological understanding of gold mineralization in this region.
Efficiency of the Enzymatic Conversion of Flavone Glycosides Isolated from Carrot Leaves and Anti-Inflammatory Effects of Enzyme-Treated Carrot Leaves
Authors: Hwang Joo Tae , Kim Hye Jin , Ryuk Jin Ah , Jung Dong Ho , Ko Byoung Seob
Published: May 2023

In traditional oriental medicine, carrots (Daucus carota L.) are considered effective medicinal herbs; however, the use of D. carota leaves (DCL) as therapeutic agents has not been explored in depth. Therefore, we aimed to demonstrate the value of DCL, generally treated as waste while developing plants for wide industrial availability. Six flavone glycosides were isolated and identified from DCL, and their constituents were identified and quantitated using an NMR and HPLC/UV method, which was optimized and validated. The structure of chrysoeriol-7-rutinoside from DCL was elucidated for the first time. The method exhibited adequate relative standard deviation (<1.89%) and recovery (94.89–105.97%). The deglycosylation of DCL flavone glycosides by Viscozyme L and Pectinex was assessed. Upon converting the reaction contents to percentages, the luteolin, apigenin, and chrysoeriol groups showed values of 85.8, 33.1, and 88.7%, respectively. The enzyme-treated DCL had a higher inhibitory effect on TNF-α and IL-2 expression than that of the carrot roots or carrot leaves without enzyme treatments. These results highlight the importance of carrot leaves and could be used as baseline standardization data for commercial development.
Cancer Prevention and Therapy by Targeting Oxidative Stress Pathways
Authors: Saha Sarmistha , Saso Luciano , Armagan Guliz
Published: May 2023

Oxidative stress arises from the inadequate production of reactive oxygen species (ROS) which couldn’t be neutralized by antioxidant defense [...]
Docking-Based Evidence for the Potential of ImmunoDefender: A Novel Formulated Essential Oil Blend Incorporating Synergistic Antiviral Bioactive Compounds as Promising Mpro Inhibitors against SARS-CoV-2
Authors: Ksouri Ayoub , Klouz Anis , Bouhaouala-Zahar Balkiss , Moussa Fathi , Bezzarga Mounir
Published: May 2023

Essential oils (Eos) have demonstrated antiviral activity, but their toxicity can hinder their use as therapeutic agents. Recently, some essential oil components have been used within safe levels of acceptable daily intake limits without causing toxicity. The “ImmunoDefender,” a novel antiviral compound made from a well-known mixture of essential oils, is considered highly effective in treating SARS-CoV-2 infections. The components and doses were chosen based on existing information about their structure and toxicity. Blocking the main protease (Mpro) of SARS-CoV-2 with high affinity and capacity is critical for inhibiting the virus’s pathogenesis and transmission. In silico studies were conducted to examine the molecular interactions between the main essential oil components in “ImmunoDefender” and SARS-CoV-2 Mpro. The screening results showed that six key components of ImmunoDefender formed stable complexes with Mpro via its active catalytic site with binding energies ranging from −8.75 to −10.30 kcal/mol, respectively for Cinnamtannin B1, Cinnamtannin B2, Pavetannin C1, Syzyginin B, Procyanidin C1, and Tenuifolin. Furthermore, three essential oil bioactive inhibitors, Cinnamtannin B1, Cinnamtannin B2, and Pavetannin C, had significant ability to bind to the allosteric site of the main protease with binding energies of −11.12, −10.74, and −10.79 kcal/mol; these results suggest that these essential oil bioactive compounds may play a role in preventing the attachment of the translated polyprotein to Mpro, inhibiting the virus’s pathogenesis and transmission. These components also had drug-like characteristics similar to approved and effective drugs, suggesting that further pre-clinical and clinical studies are needed to confirm the generated in silico outcomes.
Headspace with Gas Chromatography-Mass Spectrometry for the Use of Volatile Organic Compound Profile in Botanical Origin Authentication of Honey
Authors: Castell Ana , Arroyo-Manzanares Natalia , Guerrero-Núñez Yolanda , Campillo Natalia , Viñas Pilar
Published: May 2023

The botanical origin of honey determines its composition and hence properties and product quality. As a highly valued food product worldwide, assurance of the authenticity of honey is required to prevent potential fraud. In this work, the characterisation of Spanish honeys from 11 different botanical origins was carried out by headspace gas chromatography coupled with mass spectrometry (HS-GC-MS). A total of 27 volatile compounds were monitored, including aldehydes, alcohols, ketones, carboxylic acids, esters and monoterpenes. Samples were grouped into five categories of botanical origins: rosemary, orange blossom, albaida, thousand flower and “others” (the remaining origins studied, due to the limitation of samples available). Method validation was performed based on linearity and limits of detection and quantification, allowing the quantification of 21 compounds in the different honeys studied. Furthermore, an orthogonal partial least squares-discriminant analysis (OPLS-DA) chemometric model allowed the classification of honey into the five established categories, achieving a 100% and 91.67% classification and validation success rate, respectively. The application of the proposed methodology was tested by analysing 16 honey samples of unknown floral origin, classifying 4 as orange blossom, 4 as thousand flower and 8 as belonging to other botanical origins.
Enhanced Photocatalytic Coupling of Benzylamine to N-Benzylidene Benzylamine over the Organic–Inorganic Composites F70-TiO2 Based on Fullerenes Derivatives and TiO2
Authors: Guo Yanmeng , Li Hang , Li Bo , Su Shizhuo , Zhong Xin , Kong Derui , Chen Yifan , Song Yujie
Published: May 2023

The organic–inorganic composites F70-TiO2, based on fullerene with carboxyl group derivatives and TiO2 semiconductor, have been designed and constructed to become an optical-functional photocatalyst via the facile sol–gel method. The composite photocatalyst obtained shows excellent photocatalytic activity for the high-efficiency conversion of benzylamine (BA) to N-benzylidene benzylamine (NBBA) with air pressure at a normal temperature under visible light irradiation. By optimizing the composition, the composites with the 1:15 mass ratio of F70 and TiO2, denoted as F70-TiO2(1:15), demonstrated the highest reaction efficiency for benzylamine (>98% conversion) to N-benzylidene benzylamine (>93% selectivity) in this study. However, pure TiO2 and fullerene derivatives (F70) exhibit decreased conversion (56.3% and 89.7%, respectively) and selectivity (83.8% and 86.0%, respectively). The UV–vis diffuse reflectance spectra (DRS) and Mott–Schottky experiment’s results indicate that the introduction of fullerene derivatives into anatase TiO2 would greatly broaden the visible light response range and adjust the energy band positions of the composites, enhancing the sunlight utilization and promoting the photogenerated charge (e−-h+) separation and transfer. Specifically, a series of results on the in situ EPR tests and the photo-electrophysical experiment indicate that the separated charges from the hybrid could effectively activate benzylamine and O2 to accelerate the formation of active intermediates, and then couple with free BA molecules to form the desired production of N-BBA. The effective combination, on a molecular scale, between fullerene and titanium dioxide has provided a profound understanding of the photocatalysis mechanism. This work elaborates and makes clear the relationship between the structure and the performance of functional photocatalysts.
The Prophylactic Effect of Vitamin C and Vitamin B12 against Ultraviolet-C-Induced Hepatotoxicity in Male Rats
Authors: Attia Azza A. , Hamad Huda A. , Fawzy M. Adel , Saleh Samar R.
Published: May 2023

Ultraviolet C (UVC) devices are an effective means of disinfecting surfaces and protecting medical tools against various microbes, including coronavirus. Overexposure to UVC can induce oxidative stress, damage the genetic material, and harm biological systems. This study investigated the prophylactic efficacy of vitamin C and B12 against hepatotoxicity in UVC-intoxicated rats. Rats were irradiated with UVC (725.76, 967.68, and 1048.36 J/cm2) for 2 weeks. The rats were pretreated with the aforementioned antioxidants for two months before UVC irradiation. The prophylactic effect of vitamins against UVC hepatotoxicity was evaluated by monitoring the alteration of liver enzyme activities, antioxidant status, apoptotic and inflammatory markers, DNA fragmentation, and histological and ultrastructural alterations. Rats exposed to UVC showed a significant increase in liver enzymes, oxidant–antioxidant balance disruption, and increased hepatic inflammatory markers (TNF-α, IL-1β, iNOS, and IDO-1). Additionally, obvious over-expression of activated caspase-3 protein and DNA fragmentation were detected. Histological and ultrastructural examinations verified the biochemical findings. Co-treatment with vitamins ameliorated the deviated parameters to variable degrees. In conclusion, vitamin C could alleviate UVC-induced hepatotoxicity more than vitamin B12 by diminishing oxidative stress, inflammation, and DNA damage. This study could provide a reference for the clinical practice of vitamin C and B12 as radioprotective for workers in UVC disinfectant areas.
The Combined Effect of Lactic Acid Bacteria and Galactomyces geotrichum Fermentation on the Aroma Composition of Sour Whey
Authors: Szudera-Kończal Kamila , Myszka Kamila , Kubiak Piotr , Drabińska Natalia , Majcher Małgorzata Anna
Published: May 2023

The increase in demand for food flavorings due to the shortening and simplification of food production technology also entails an increase in the demand for new technologies for their production. The biotechnological production of aromas is a solution characterized by a high efficiency, an independence from environmental factors and a relatively low cost. In this study, the influence of the implementation of lactic acid bacteria pre-fermentation into the production of aroma compounds by Galactomyces geotrichum on a sour whey medium on the intensity of the obtained aroma composition was analyzed. The monitoring of the culture in terms of biomass buildup, the concentration of selected compounds, and the pH resulted in the confirmation of interactions between the analyzed microorganisms. The post-fermentation product underwent a comprehensive sensomic analysis for the identification and quantification of the aroma-active compounds. The use of gas chromatography−olfactometry (GC−O) analysis and the calculation of odor activity values (OAVs) allowed 12 key odorants to be identified in the post-fermentation product. The highest OAV was found for phenylacetaldehyde with a honey odor (1815). The following compounds with the highest OAVs were 2,3-butanedione with a buttery aroma (233), phenylacetic acid with a honey aroma (197), 2,3-butanediol with a buttery aroma (103), 2-phenylethanol with a rosy aroma (39), ethyl octanoate with a fruity aroma (15), and ethyl hexanoate with a fruity aroma (14).
The Role of Integrins for Mediating Nanodrugs to Improve Performance in Tumor Diagnosis and Treatment
Authors: Yu Chi , Jiang Wei , Li Bin , Hu Yong , Liu Dan
Published: May 2023

Integrins are heterodimeric transmembrane proteins that mediate adhesive connections between cells and their surroundings, including surrounding cells and the extracellular matrix (ECM). They modulate tissue mechanics and regulate intracellular signaling, including cell generation, survival, proliferation, and differentiation, and the up-regulation of integrins in tumor cells has been confirmed to be associated with tumor development, invasion, angiogenesis, metastasis, and therapeutic resistance. Thus, integrins are expected to be an effective target to improve the efficacy of tumor therapy. A variety of integrin-targeting nanodrugs have been developed to improve the distribution and penetration of drugs in tumors, thereby, improving the efficiency of clinical tumor diagnosis and treatment. Herein, we focus on these innovative drug delivery systems and reveal the improved efficacy of integrin-targeting methods in tumor therapy, hoping to provide prospective guidance for the diagnosis and treatment of integrin-targeting tumors.
Optimization Methods of Tungsten Oxide-Based Nanostructures as Electrocatalysts for Water Splitting
Authors: Wang Yange , Wang Rongming , Duan Sibin
Published: May 2023

Electrocatalytic water splitting, as a sustainable, pollution-free and convenient method of hydrogen production, has attracted the attention of researchers. However, due to the high reaction barrier and slow four-electron transfer process, it is necessary to develop and design efficient electrocatalysts to promote electron transfer and improve reaction kinetics. Tungsten oxide-based nanomaterials have received extensive attention due to their great potential in energy-related and environmental catalysis. To maximize the catalytic efficiency of catalysts in practical applications, it is essential to further understand the structure–property relationship of tungsten oxide-based nanomaterials by controlling the surface/interface structure. In this review, recent methods to enhance the catalytic activities of tungsten oxide-based nanomaterials are reviewed, which are classified into four strategies: morphology regulation, phase control, defect engineering, and heterostructure construction. The structure–property relationship of tungsten oxide-based nanomaterials affected by various strategies is discussed with examples. Finally, the development prospects and challenges in tungsten oxide-based nanomaterials are discussed in the conclusion. We believe that this review provides guidance for researchers to develop more promising electrocatalysts for water splitting.
One-Step Hydrothermal Synthesis of Cu2ZnSnS4 Nanoparticles as an Efficient Visible Light Photocatalyst for the Degradation of Congo Red Azo Dye
Authors: Henríquez Rodrigo , Nogales Paula Salazar , Moreno Paula Grez , Cartagena Eduardo Muñoz , Bongiorno Patricio Leyton , Navarrete-Astorga Elena , Dalchiele Enrique A.
Published: May 2023

A hydrothermal method was successfully employed to synthesize kesterite Cu2ZnSnS4 (CZTS) nanoparticles. X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), field-emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), and optical ultraviolet-visible (UV-vis) spectroscopy were used for characterization of structural, chemical, morphological, and optical properties. XRD results confirmed that a nanocrystalline CZTS phase corresponding to the kesterite structure was formed. Raman analysis confirmed the existence of single pure phase CZTS. XPS results revealed the oxidation states as Cu+, Zn2+, Sn4+, and S2−. FESEM and TEM micrograph images revealed the presence of nanoparticles with average sizes between 7 nm to 60 nm. The synthesized CZTS nanoparticles bandgap was found to be 1.5 eV which is optimal for solar photocatalytic degradation applications. The properties as a semiconductor material were evaluated through the Mott–Schottky analysis. The photocatalytic activity of CZTS has been investigated through photodegradation of Congo red azo dye solution under solar simulation light irradiation, proving to be an excellent photo-catalyst for CR where 90.2% degradation could be achieved in just 60 min. Furthermore, the prepared CZTS was reusable and can be repeatedly used to remove Congo red dye from aqueous solutions.
Spatial and Temporal Gait Characteristics in Patients Admitted to a Neuro-Rehabilitation Department with Age-Related White Matter Changes: A Gait Analysis and Clinical Study
Authors: Gagliardo Andrea , Grippo Antonello , Di Stefano Vincenzo , Carrai Riccardo , Scarpino Maenia , Martini Monica , Falsini Catiuscia , Rimmaudo Giulia , Brighina Filippo
Published: May 2023

Background: Patients with age-related white matter changes (ARWMC) frequently present a gait disorder, depression and cognitive impairment. Our aims are to define which alterations in the gait parameters are associated with motor or neuro-psychological impairment and to assess the role of motor, mood or cognitive dysfunction in explaining the variance of the gait parameters. Methods: Patients with gait disorders admitted to a Neuro-rehabilitation Department, affected by vascular leukoencephalopathy who had ARWMC confirmed by a brain MRI, were consecutively enrolled, classified by a neuroradiological scale (Fazekas 1987) and compared to healthy controls. We excluded subjects unable to walk independently, subjects with hydrocephalus or severe aphasia, with orthopaedic and other neurological pathologies conditioning the walking pattern. Patients and controls were assessed by clinical and functional scales (Mini Mental State Examination, Geriatric Depression Scale, Nevitt Motor Performance Scale, Berg Balance Scale, Functional Independence Measure), and computerised gait analysis was performed to assess the spatial and temporal gait parameters in a cross-sectional study. Results: We recruited 76 patients (48 males, aged 78.3 ± 6.2 years) and 14 controls (6 males, aged 75.8 ± 5 years). In the multiple regression analysis, the gait parameter with overall best model summary values, associated with the ARWMC severity, was the stride length even after correction for age, sex, weight and height (R2 = 0.327). The motor performances justified at least in part of the gait disorder (R2 change = 0.220), but the mood state accounted independently for gait alterations (R2 change = 0.039). The increase in ARWMC severity, the reduction of motor performance and a depressed mood state were associated with a reduction of stride length (R = 0.766, R2 = 0.587), reduction of gait speed (R2 = 0.573) and an increase in double support time (R2 = 0.421). Conclusion: The gait disorders in patients with ARWMC are related to motor impairment, but the presence of depression is an independent factor for determining gait alterations and functional status. These data pave the way for longitudinal studies, including gait parameters, to quantitatively assess gait changes after treatment or to monitor the natural progression of the gait disorders.
Modulation of the Intestinal Barrier Integrity and Repair by Microbiota Extracellular Vesicles through the Differential Regulation of Trefoil Factor 3 in LS174T Goblet Cells
Authors: Olivo-Martínez Yenifer , Bosch Manel , Badia Josefa , Baldomà Laura
Published: May 2023

Trefoil factor 3 (TFF3) plays a key role in the maintenance and repair of intestinal mucosa. TFF3 expression is upregulated by the microbiota through TLR2. At the posttranscriptional level, TFF3 is downregulated by miR-7-5p. Reduced TFF3 levels have been detected in the damaged tissue of IBD patients. Here, we investigate the regulation of TFF3 expression by microbiota extracellular vesicles (EVs) in LS174T goblet cells using RT-qPCR and inhibitors of the TLR2 or PI3K pathways. To evaluate the subsequent impact on epithelial barrier function, conditioned media from control and vesicle-stimulated LS174T cells were used to treat Caco-2 monolayers. The barrier-strengthening effects were evaluated by analysing the expression and subcellular distribution of tight junction proteins, and the repairing effects were assessed using wound-healing assays. The results showed a differential regulation of TFF3 in LS174T via EVs from the probiotic EcN and the commensal ECOR12. EcN EVs activated the TFF3 production through TLR2 and downregulated miR7-5-p through PI3K. Consistently, high levels of secreted TFF3 reinforced the tight junctions and stimulated wound healing in the Caco-2 cells. ECOR12 EVs did not cause these effects. TFF3 is a potential therapeutic target in IBD. This study contributes to understanding the molecular players (microbiota EVs) connecting gut microbes to health and may help in designing better nutritional interventions based on microbiota bioactive compounds.