bluuebunny/crossref_metadata_2025 huggingface dataset:
Session-Dependent Token-Based Payload Enciphering Scheme for Integrity Enhancements in Wireless Networks
Authors: Abduljabbar Zaid Ameen , Omollo Nyangaresi Vincent , Al Sibahee Mustafa A. , Ghrabat Mudhafar Jalil Jassim , Ma Junchao , Qays Abduljaleel Iman , Aldarwish Abdulla J. Y.
Published: September 2022

Wireless networks have continued to evolve to offer connectivity between users and smart devices such as drones and wireless sensor nodes. In this environment, insecure public channels are deployed to link the users to their remote smart devices. Some of the application areas of these smart devices include military surveillance and healthcare monitoring. Since the data collected and transmitted to the users are highly sensitive and private, any leakages can have adverse effects. As such, strong entity authentication should be implemented before any access is granted in these wireless networks. Although numerous protocols have been developed for this purpose, the simultaneous attainment of robust security and privacy at low latencies, execution time and bandwidth remains a mirage. In this paper, a session-dependent token-based payload enciphering scheme for integrity enhancements in wireless networks is presented. This protocol amalgamates fuzzy extraction with extended Chebyshev chaotic maps to boost the integrity of the exchanged payload. The security analysis shows that this scheme offers entity anonymity and backward and forward key secrecy. In addition, it is demonstrated to be robust against secret ephemeral leakage, side-channeling, man-in-the-middle and impersonation attacks, among other security threats. From the performance perspective, the proposed scheme requires the least communication overheads and a relatively low execution time during the authentication process.
Open Spaces in the European Alps—GIS-Based Analysis and Implications for Spatial Planning from a Transnational Perspective
Authors: Job Hubert , Meyer Constantin , Coronado Oriana , Koblar Simon , Laner Peter , Omizzolo Andrea , Plassmann Guido , Riedler Walter , Vesely Philipp , Schindelegger Arthur
Published: September 2022

This article presents an open space concept of areas that are kept permanently free from buildings, technical infrastructure, and soil sealing. In the European Alps, space is scarce because of the topography; conflicts often arise between competing land uses such as permanent settlements and commercial activity. However, the presence of open spaces is important for carbon sequestration and the prevention of natural hazards, especially given climate change. A GIS-based analysis was conducted to identify an alpine-wide inventory of large-scale near-natural areas, or simply stated, open spaces. The method used identified the degree of infrastructure development for natural landscape units. Within the Alpine Convention perimeter, near-natural areas (with a degree of infrastructural development of up to 20%) account for a share of 51.5%. Only 14.5% of those areas are highly protected and are mostly located in high altitudes of over 1500 m or 2000 m above sea level. We advocate that the remaining Alpine open spaces must be preserved through the delimitation of more effective protection mechanisms, and green corridors should be safeguarded through spatial planning. To enhance the ecological connectivity of open spaces, there is the need for tailored spatial and sectoral planning strategies to prevent further landscape fragmentation and to coordinate new forms of land use for renewable energy production.
Cordyceps militaris Inhibited Angiotensin-Converting Enzyme through Molecular Interaction between Cordycepin and ACE C-Domain
Authors: Valdez-Solana Mónica A. , Corral-Guerrero Iván A. , Téllez-Valencia Alfredo , Avitia-Domínguez Claudia , Meza-Velázquez Jorge A. , de Casa Atahualpa Guzmán , Sierra-Campos Erick
Published: September 2022

One of the most important therapeutic modalities for the management of hypertension is the inhibition of the angiotensin-converting enzyme (ACE). Cordyceps militaris has received substantial attention because to its therapeutic potential and biological value. To gather information about the antihypertensive properties of C. militaris, the ACE inhibitory activity was evaluated. An ethanolic extract of the fruiting body of C. militaris was obtained, and the extract was separated by UHPLC method with a fluorescence detector for the quantification of cordycepin and adenosine. The ethanolic extract had a considerably higher cordycepin level. Additionally, an in vitro kinetic analysis was carried out to find out how much C. militaris extract inhibited ACE. This extract exhibited non-competitive inhibition on ACE. The Ki value of the C. militaris extract against ACE was found to be 8.7 µg/mL. To the best of our knowledge, this is the first report of the analysis of a protein cavity together with molecular docking carried out to comprehend the intermolecular interactions between cordycepin and the ACE C-domain, which impact the spatial conformation of the enzyme and reduce its capacity to break down the substrate. According to a molecular docking, hydrogen bonding interactions between the chemicals and the ACE S2’ subsite are primarily responsible for cordycepin inhibition at the ACE C domain. All these findings suggest that C. militaris extract are a kind of natural ACE inhibitor, and cordycepin has the potential as an ACE inhibitor.
Manipulating Frictional Performance of Wet Clutch Engagement through Material Properties and Operating Conditions
Authors: Jang Siyoul
Published: September 2022

Wet clutch engagement is mainly influenced by the frictional behaviors between the friction pad and steel plate as well as the lubrication behaviors. A positive μ–V friction coefficient of the wet clutch pad is the most preferable characteristic for improving antishudder behavior. In this study, a wet clutch engagement mechanism is theoretically divided into two major frictional behaviors, namely, direct asperity contact of interacting surfaces and hydrodynamic lubrication, for positive μ–V friction performance. These two behaviors are investigated with regard to both material characteristics of the friction pad–steel plate interactions and hydrodynamic lubrication mechanism. Frictional interactions of the friction pad are analyzed according to the material properties of the friction pad, such as elasticity, permeability, and roughness. Hydrodynamic lubrication, by which the initial period of the engagement is dominantly governed by the waviness of surface shape, is investigated to increase the frictional resistance in the initial stage of engagement relative to that in the final stage of engagement for realizing a positive μ–V friction coefficient. Computational simulations of wet clutch engagement behaviors are performed and compared with each other to obtain positive μ–V friction characteristics of the friction pad.
Methyl-3-(3-hydroxy-3-(4-(piperidin-1-yl)phenyl)-prop-2-enoyl)benzoate
Authors: Kiseleva Marina A. , Tatarin Sergei V. , Churakov Andrei V. , Bezzubov Stanislav I.
Published: September 2022

The title compound was synthesized and characterized for the first time by 1H, 13C NMR, high-resolution mass spectra and single-crystal X-ray diffraction.
Influencing Mechanisms of Prior Cold Deformation on Mixed Grain Boundary Network in the Thermal Deformation of Ni80A Superalloy
Authors: Zhang Yu-Qing , Quan Guo-Zheng , Zhao Jiang , Xiong Wei
Published: September 2022

Within the grain boundary engineering (GBE) of alloys, a mixed grain boundary network with random grain boundaries interrupted by twin boundaries, contributes to enhancing the overall grain boundary-related properties. The higher density of twin boundaries is pursued herein. Furthermore, a two-stage deformation method, i.e., prior cold deformation followed by thermal deformation, was proposed for improving the mixed grain boundary network in the thermal deformation of Ni80A superalloy. The influence of prior cold deformation on the mixed grain boundary network was investigated through a series of two-stage deformation experiments. The analysis of the stress–strain curves shows that the critical strain for dynamic recrystallization (DRX) and peak strains decrease significantly under the effect of prior cold deformation. In comparison to the necklace-like microstructures that occur after a single thermal deformation, the microstructures apparent after a two-stage deformation are characterized by finer DRX grains with abundant Σ3n twin boundaries, with a significantly improved density of the Σ3n twin boundaries (BLDΣ3n) by a factor of around nine. With increasing prior cold strain, the grain size, after a two-stage deformation, decreases continuously, while the BLDΣ3n increases firstly and then decreases. The mechanisms for improving the mixed grain boundary network via two-stage deformation were uncovered. The sub-grain boundaries formed in prior cold deformation stimulate the nucleation of DRX grains and twins; meanwhile, the driving force for grain boundary migration is enhanced due to prior stored energy. Then, DRX is activated in advance and occurs more completely, thereby promoting the formation of Σ3n twin boundaries.
Paper-Based Humidity Sensor for Respiratory Monitoring
Authors: Ma Xiaoxiao , Zhang Shaoxing , Zou Peikai , Li Ruya , Fan Yubo
Published: September 2022

Flexible respiratory monitoring devices have become available for outside-hospital application scenarios attributable to their improved system wearability. However, the complex fabrication process of such flexible devices results in high prices, limiting their applications in real-life scenarios. This study proposes a flexible, low-cost, and easy-processing paper-based humidity sensor for sleep respiratory monitoring. A paper humidity sensing model was established and sensors under different design parameters were processed and tested, achieving high sensitivity of 5.45 kΩ/%RH and good repeatability with a matching rate of over 85.7%. Furthermore, the sensor patch with a dual-channel 3D structure was designed to distinguish between oral and nasal breathing from origin signals proved in the simulated breathing signal monitoring test. The sensor patch was applied in the sleep respiratory monitoring of a healthy volunteer and an obstruct sleep apnea patient, demonstrating its ability to distinguish between different respiratory patterns as well as various breathing modes.
Controlling Welding Residual Stress and Distortion of High-Strength Aluminum Alloy Thin Plates by a Trailing Hybrid High-Speed Gas Fluid Field
Authors: Zhou Guangtao , Liu Biao , Song Wei , Li Huachen , Kuang Jingzhen , Qiu Mingwang
Published: September 2022

This paper presents an investigation of the welding residual stress and distortion of LY12 high-strength aluminum alloy (6061) by improving the local welding thermal and mechanical fields. A trailing hybrid high-speed gas fluid method was proposed and applied to decrease the welding residual stress and distortion of 6061 aluminum alloy efficiently. Firstly, the temperature and stress fields were calculated using the finite element simulation method, considering a trailing hybrid high-speed gas fluid field. The distance between the aerodynamic load and the heat source action was a key factor determined by the simulation method. In addition, the reasonable effective range of gas pressure was obtained. Subsequently, welding and distortion tests were conducted on the self-developed device under conventional welding and high-speed gas fluid field conditions. The results showed that an aerodynamic load under 30 MPa of gas pressure was available near the area at a distance of 20–28 mm from the heat source for thin plate welding distortion. The peak longitudinal residual tensile stresses in the weld’s mid-length section decreased by 77.73%, the peak residual compressive stresses decreased by 69.23% compared with conventional welding, and the deflection distortion disappeared almost entirely. The maximum deflection of the distortion was only 1.79 mm, which was 83.76% lower than the 11.02 mm of the conventional welding distortion. This validates that the method can simultaneously and greatly eliminate the welding residual stress and distortion.
Long-Term Performance Evolution of RIOHTrack Pavement Surface Layer Based on DMA Method
Authors: Ma Zhimin , Wang Xudong , Wang Yanzhu , Zhou Xingye , Wu Yang
Published: September 2022

Asphalt mixture is a typical viscoelastic material, and its road performance will change with the action of environment and load during actual service. This study conducted experimental research on the surface course asphalt mixture of three categories and six typical structures of RIOHTrack based on the Dynamic Mechanical Analysis method. Moreover, this study explored the performance evolution law of asphalt mixture under the coupling action of load and environment in the process of loading from 0 million to 54 million standard axle times. Results demonstrated that the phase transition characteristic temperature of the surface course materials of the three types of typical structures showed a trend of first increasing and then decreasing with the accumulation of load and environmental effects, indicating the presence of two stages of the dual coupling effect of environmental aging and load rolling on the asphalt mixture during service. In addition, the results suggested that the phase transition characteristic temperature, modulus, and phase angle of the surface layer materials have obvious material differences and structure dependencies.
Pitting and General Corrosion Susceptibilities of Materials for High Level Radioactive Waste (HLW) Disposal
Authors: Verhoeven Brent , Bogaerts Walter , Van Aken Pieter , Gaggiano Roberto , Baeyens Jan , Rossi Barbara , Dewil Raf
Published: September 2022

The disposal of high-level radioactive waste (HLW) in deep stable geological formations is accepted at an international level to be the most promising option for its long-term management. The supercontainer concept is currently being considered as the Belgian reference design, wherein the waste will be stored in geological stable clay formations. The outer barrier of the supercontainer is the envelope, which should be made of a corrosion-resistant material as it will be in contact with the aggressive species leaching from the host rock (i.e., chloride) and diffusing through the cementitious barriers of the disposal system. Polarization measurements are carried out to study the pitting susceptibility and the uniform corrosion of possible candidate materials in chloride-rich concrete pore solutions, aerated by high-purity oxygen. The tests are carried out at a deep soil-representative temperature of 60 °C. All materials showed high pitting resistance in aerated concrete pore solutions and can withstand chloride concentrations up to 1 M. Regular 316L and LDX2304 stainless steel also showed good corrosion resistance and can serve as a more economical alternative. The pH of the used pore solutions did affect the measured corrosion rate irrespective of the alloying elements inside the steel grades.
The Design of Concrete Beams Reinforced with GFRP Bars Based on Crack Width
Authors: Tu Jianwei , Zhao Quan , Gao Kui
Published: September 2022

Since glass fiber-reinforced polymer (GFRP) bars have a lower modulus than steel bars, the design of GFRP-reinforced concrete (GFRP-RC) is often governed by the serviceability limit state (deflection and cracking) rather than the ultimate state. A new design method has been proposed in this paper for GFRP-RC beams based on the flexure crack width. The state when the maximum flexure crack width in the tensile zone reaches the limit of 0.5 mm specified by ACI 440.1R-15 was used as the design limit state. The concrete compressive strain at the extreme compression fiber of concrete under the design limit state was obtained by four-point bending tests of eight full-scale GFRP-RC beams and finite element analysis. Based on the concrete compressive strain under the design limit state and cross-sectional analysis, a design method for calculating the longitudinal reinforcement ratio of GFRP-RC beams under the design limit state is proposed. This design method is proven to be feasible by the experimental and the finite element results. In addition, the flexural capacity coefficient was discussed to investigate the safety reserve of the design method.
Emerging Deep-Sea Smart Composites: Advent, Performance, and Future Trends
Authors: Zhou Haiyi , Jiao Pengcheng , Lin Yingtien
Published: September 2022

To solve the global shortage of land and offshore resources, the development of deep-sea resources has become a popular topic in recent decades. Deep-sea composites are widely used materials in abyssal resources extraction, and corresponding marine exploration vehicles and monitoring devices for deep-sea engineering. This article firstly reviews the existing research results and limitations of marine composites and equipment or devices used for resource extraction. By combining the research progress of smart composites, deep-sea smart composite materials with the three characteristics of self-diagnosis, self-healing, and self-powered are proposed and relevant studies are summarized. Finally, the review summarizes research challenges for the materials, and looks forward to the development of new composites and their practical application in conjunction with the progress of composites disciplines and AI techniques.
The Fabrication and Bonding of Thermoplastic Microfluidics: A Review
Authors: Shakeri Amid , Khan Shadman , Jarad Noor Abu , Didar Tohid F.
Published: September 2022

Various fields within biomedical engineering have been afforded rapid scientific advancement through the incorporation of microfluidics. As literature surrounding biological systems become more comprehensive and many microfluidic platforms show potential for commercialization, the development of representative fluidic systems has become more intricate. This has brought increased scrutiny of the material properties of microfluidic substrates. Thermoplastics have been highlighted as a promising material, given their material adaptability and commercial compatibility. This review provides a comprehensive discussion surrounding recent developments pertaining to thermoplastic microfluidic device fabrication. Existing and emerging approaches related to both microchannel fabrication and device assembly are highlighted, with consideration toward how specific approaches induce physical and/or chemical properties that are optimally suited for relevant real-world applications.
Influence of the Accelerated Aging Process on the Fragment-Resistant Properties of Para-Aramid Body Armor
Authors: Kośla Katarzyna , Łandwijt Marcin , Miklas Michał , Fejdyś Marzena
Published: September 2022

Para-aramid materials such as Twaron® and Kevlar® are commonly used for ballistic-resistant body armor, which are designed to protect human life and health. For this reason, the materials from which body armor are made should be thoroughly investigated in the area of long-term reliability, particularly with regard to exposure to UV light, humidity and temperature, as these are known causes of degradation in commonly used ballistic materials. This research presents the durability of soft and hard ballistic inserts designed using para-aramid (Twaron®) materials. Para-aramid ballistic inserts not subjected to accelerated aging processes and also ones subjected to laboratory aging for 63, 129 and 194 days, which corresponded to 2, 4 and 6 years of aging in real conditions, were tested. The selected para-aramid inserts were verified in terms of ballistic and physico-mechanical properties as well as changes in chemical structure of the ballistic materials. Ballistic tests were carried out with the use of a 1.1 g FSP.22 fragment according to STANAG 2920. Changes in the microstructure of the para-aramid materials were evaluated using infrared spectroscopy and scanning electron microscopy. The obtained results indicate that despite the changes which took place at the molecular level in the Twaron® materials, accelerated aging processes do not affect the fragmentation resistance properties of ballistic inserts made of para-aramid materials.
Interaction of Geopolymer Filler and Alkali Molarity Concentration towards the Fire Properties of Glass-Reinforced Epoxy Composites Fabricated Using Filament Winding Technique
Authors: Hashim Mohammad Firdaus Abu , Faris Meor Ahmad , Mydin Md Azree Othuman , Ghazali Che Mohd Ruzaidi , Daud Yusrina Mat , Abdullah Mohd Mustafa Al Bakri , Zainal Farah Farhana , Saloma  , Mohd Tahir Muhammad Faheem , Yong Heah Cheng , Khorami Morteza
Published: September 2022

This paper aims to find out the effect of different weight percentages of geopolymer filler in glass-reinforced epoxy pipe, and which can achieve the best mechanical properties and adhesion between high calcium pozzolanic-based geopolymer matrices. Different weight percentages and molarities of epoxy hardener resin and high calcium pozzolanic-based geopolymer were injected into the glass fiber. By manually winding filaments, composite samples were produced, and they were then allowed to cure at room temperature. To determine how well the geopolymer matrices adhere to the fiber reinforcement, the microstructure of the composites’ surfaces and perpendicular sections were examined. Maximum values of compressive strength and compressive modulus were 94.64 MPa and 2373.58 MPa, respectively, for the sample with a weight percentage of filler loading of 30 wt% for an alkali concentration of 12 M. This is a relatively wide range of geopolymer weight percentage of filler loading from 10 wt% to 40 wt%, at which we can obtain high compressive properties. By referring to microstructural analysis, adhesion, and interaction of the geopolymer matrix to glass fiber, it shows that the filler is well-dispersed and embedded at the fiber glass, and it was difficult to determine the differences within the range of optimal geopolymer filler content. By determining the optimum weight percent of 30 wt% of geopolymer filler and microstructural analysis, the maximum parameter has been achieved via analysis of high calcium pozzolanic-based geopolymer filler. Fire or elevated temperature represents one of the extreme ambient conditions that any structure may be exposed to during its service life. The heat resistance or thermal analysis between glass-reinforced epoxy (GRE) pipe and glass-reinforced epoxy pipe filled with high calcium pozzolanic-based geopolymer filler was studied by investigating burning tests on the samples, which shows that the addition of high calcium pozzolanic-based geopolymer filler results in a significant reduction of the melted epoxy.
Gel Point Determination in Resin Transfer Molding Process with Fiber Bragg Grating Inscribed in Side-Hole Elliptical Core Optical Fiber
Authors: Wachtarczyk Karol , Bender Marcel , Fauster Ewald , Schledjewski Ralf , Gąsior Paweł , Kaleta Jerzy
Published: September 2022

Material as well as process variations in the composites industry are reasons to develop methods for in-line monitoring, which would increase reproducibility of the manufacturing process and the final composite products. Fiber Bragg Gratings (FBGs) have shown to be useful for monitoring liquid-composite molding processes, e.g., in terms of online gel point detection. Existing works however, focus on in-plane strain measurements while out-of-plane residual strain prevails. In order to measure out-of-plane strain, FBG inscribed in highly birefringent fiber (HB FBG) can be used. The purpose of this research is the cure stage detection with (a) FBG inscribed in single mode and (b) FBG inscribed in highly-birefringent side-hole fiber in comparison to the reference gel point detected with an in-mold DC sensor. Results reveal that the curing process is better traceable with HB FBG than with regular FBG. Thus, the use of HB FBG can be a good method for the gel point estimation in the RTM process.
Novel Natural Compounds and Their Anatomical Distribution in the Stinging Fireworm Hermodice carunculata (Annelida)
Authors: Righi Sara , Forti Luca , Simonini Roberto , Ferrari Valentina , Prevedelli Daniela , Mucci Adele
Published: September 2022

Increasing evidence in the field of bioprospection fosters the necessity of studying poorly investigated poisonous marine invertebrates to expand knowledge on animal venom biology. Among marine annelids, amphinomid fireworms are notorious for their bearded trunk equipped with a powerful stinging capacity. Here, a methodological workflow based on analytical chemistry techniques (compound isolation followed by mass spectrometry and spectroscopy analyses) was applied to gain new insights, leading to the identification and structural elucidation of an array of natural products from Mediterranean specimens of Hermodice carunculata. Eight betaine-derived unprecedented compounds, named “carunculines”, were detected, bearing two terminal ammonium groups tri-and disubstituted at the Cα (A, B) and a series of different alkyl chains (I–VIII). The mixture of chemicals was found in all the body parts of H. carunculata, supporting a mechanism of action triggered by their vehiculation inside the dorsal chaetae, and subsequent injection when chaetae break off on contact. Preliminary investigations to understand adaptive features were also performed, showing a trend in carunculine abundance that fits into the evolutionary history of these worms. These findings shed light on the chemical ecology of amphinomids, giving reasons for the success of H. carunculata in benthic environments and providing promising novel metabolites for biotechnological implications.
Penetration Recognition in GTAW Welding Based on Time and Spectrum Images of Arc Sound Using Deep Learning Method
Authors: Wu Jiazhou , Shi Jiawen , Gao Yanfeng , Gai Shan
Published: September 2022

The weld penetration rate is an important evaluation criterion for welding quality. However, it is difficult to identify the weld penetration state during GTAW welding process. This paper presents a new penetration recognition method based on time and spectrum images of arc sound using deep learning for DC GTAW welding. The time domain and spectrum images of the three penetration states from the non-periodic arc sound were used as the dataset for the penetration prediction model. VGG16, AlexNet, and custom convolutional neural network (CNN) were used to extract image features, and softmax was used to classify images for penetration recognition. The influence of image feature extraction networks, input methods, and different sampling methods on the recognition accuracy was deeply analyzed. The results show that the overall validation accuracy of the proposed model is approximately 96.2%. Particularly, the validation accuracy of the model in the excessive penetration state is approximately 100%. This study provides a new and feasible method for the online detection of weld penetration during the GTAW welding process.
Acetone as Artifact of Analysis in Terpene Samples by HS-GC/MS
Authors: Elzinga Sytze , Dominguez-Alonzo Jorge , Keledjian Raquel , Douglass Brad , Raber Jeffrey C.
Published: September 2022

Cannabis-infused product manufacturers often add terpenes to enhance flavor. Meanwhile, labeling requirements for these same products necessitate testing for residual solvent levels. We have found that heating terpene samples containing an oxygen or air atmosphere results in the detection of significantly higher levels of acetone when compared to the same compound in argon atmosphere using temperature regimes common to headspace autosampler routines. This formation was statistically significant (p = 0.05) for most of the predominant terpenes found in cannabis. The largest increase in acetone formation was seen for terpinolene which showed an 885% increase in oxygen atmosphere (4603.6 PPM) when compared to analysis under argon (519.9 PPM). Cannabinoids were shown to reduce this formation and explain why high levels of acetone are not reported in cannabis extracts, even though these can contain up to 40% terpenes.
Identification of Novel Natural Inhibitors to Human 3-Phosphoglycerate Dehydrogenase (PHGDH) for Cancer Treatment
Authors: Sadiqa Ayesha , Rasul Azhar , Hassan Mudassir , Sultana Salma , Jabeen Farhat
Published: September 2022

Targeting the serine biosynthesis pathway enzymes has turned up as a novel strategy for anti-cancer therapeutics. 3- Phosphoglycerate dehydrogenase (PHGDH) is the rate-limiting enzyme that catalyzes the conversion of 3-Phosphoglyceric acid (3-PG) into 3-Phosphohydroxy pyruvate (3-PPyr) in the first step of serine synthesis pathway and perform a critical role in cancer progression. PHGDH has been reported to be overexpressed in different types of cancers and emerged as a novel target for cancer therapeutics. During this study, virtual screening tools were used for the identification of inhibitors of PHGDH. A library of phenolic compounds was docked against two binding sites of PHGDH using Molegro Virtual Docker (MVD) software. Out of 169 virtually tested compounds, Salvianolic acid C and Schizotenuin F possess good binding potential to co-factor binding site of PHGDH while Salvianolic acid I and Chicoric acid were identified as the best binding compounds toward the substrate binding site of PHGDH. The top selected compounds were evaluated for different physiochemical and ADMET properties, the obtained results showed that none of these hit compounds violated the Pfizer Rule and they possess acceptable ADMET profiles. Further, a commercially available hit compound, Chicoric acid, was evaluated for its anti-cancer potential against PHGDH-expressing gastric cancer cell lines (MGC-803 and SGC-7901) as well as cell lines with low expression of PHGDH (MCF-7 and MDA-MB2-31), which demonstrated that Chicoric acid possesses selective cytotoxicity toward PHGDH expressing cancer cell lines. Thus, this study has unveiled the potential of phenolic compounds, which could serve as novel candidates for the development of PHGDH inhibitors as anti-cancer agents.
Coordination Sites for Sodium and Potassium Ions in Nucleophilic Adeninate Contact ion-Pairs: A Molecular-Wide and Electron Density-Based (MOWED) Perspective
Authors: Buyens Dominique M. S. , Pilcher Lynne A. , Cukrowski Ignacy
Published: September 2022

The adeninate anion (Ade−) is a useful nucleophile used in the synthesis of many prodrugs (including those for HIV AIDS treatment). It exists as a contact ion-pair (CIP) with Na+ and K+ (M+) but the site of coordination is not obvious from spectroscopic data. Herein, a molecular-wide and electron density-based (MOWED) computational approach implemented in the implicit solvation model showed a strong preference for bidentate ion coordination at the N3 and N9 atoms. The N3N9-CIP has (i) the strongest inter-ionic interaction, by −30 kcal mol−1, with a significant (10–15%) covalent contribution, (ii) the most stabilized bonding framework for Ade−, and (iii) displays the largest ion-induced polarization of Ade−, rendering the N3 and N9 the most negative and, hence, most nucleophilic atoms. Alkylation of the adeninate anion at these two positions can therefore be readily explained when the metal coordinated complex is considered as the nucleophile. The addition of explicit DMSO solvent molecules did not change the trend in most nucleophilic N-atoms of Ade− for the in-plane M-Ade complexes in M-Ade-(DMSO)4 molecular systems. MOWED-based studies of the strength and nature of interactions between DMSO solvent molecules and counter ions and Ade− revealed an interesting and unexpected chemistry of intermolecular chemical bonding.
Role of Sulfur Compounds in Vegetable and Mushroom Aroma
Authors: Marcinkowska Monika A. , Jeleń Henryk H.
Published: September 2022

At the base of the food pyramid is vegetables, which should be consumed most often of all food products, especially in raw and unprocessed form. Vegetables and mushrooms are rich sources of bioactive compounds that can fulfill various functions in plants, starting from protection against herbivores and being natural insecticides to pro-health functions in human nutrition. Many of these compounds contain sulfur in their structure. From the point of view of food producers, it is extremely important to know that some of them have flavor properties. Volatile sulfur compounds are often potent odorants, and in many vegetables, belonging mainly to Brassicaeae and Allium (Amaryllidaceae), sulfur compounds determine their specific flavor. Interestingly, some of the pathways that form volatile sulfur compounds in vegetables are also found in selected edible mushrooms. The most important odor-active organosulfur compounds can be divided into isothiocyanates, nitriles, epithionitriles, thiols, sulfides, and polysulfides, as well as others, such as sulfur containing carbonyl compounds and esters, R-L-cysteine sulfoxides, and finally heterocyclic sulfur compounds found in shiitake mushrooms or truffles. This review paper summarizes their precursors and biosynthesis, as well as their sensory properties and changes in selected technological processes.
Dielectric Responses of (Zn0.33Nb0.67)xTi1−xO2 Ceramics Prepared by Chemical Combustion Process: DFT and Experimental Approaches
Authors: Nachaithong Theeranuch , Moontragoon Pairot , Thongbai Prasit
Published: September 2022

The (Zn, Nb)-codoped TiO2 (called ZNTO) nanopowder was successfully synthesized by a simple combustion process and then the ceramic from it was sintered with a highly dense microstructure. The doped atoms were consistently distributed, and the existence of oxygen vacancies was verified by a Raman spectrum. It was found that the ZNTO ceramic was a result of thermally activated giant dielectric relaxation, and the outer surface layer had a slight effect on the dielectric properties. The theoretical calculation by using the density functional theory (DFT) revealed that the Zn atoms are energy preferable to place close to the oxygen vacancy (Vo) position to create a triangle shape (called the ZnVoTi defect). This defect cluster was also opposite to the diamond shape (called the 2Nb2Ti defect). However, these two types of defects were not correlated together. Therefore, it theoretically confirms that the electron-pinned defect-dipoles (EPDD) cannot be created in the ZNTO structure. Instead, the giant dielectric property of the (Zn0.33Nb0.67)xTi1−xO2 ceramics could be caused by the interfacial polarization combined with electron hopping between the Zn2+/Zn3+ and Ti3+/Ti4+ ions, rather than due to the EPDD effect. Additionally, it was also proved that the surface barrier-layer capacitor (SBLC) had a slight influence on the giant dielectric properties of the ZNTO ceramics. The annealing process can cause improved dielectric properties, which are properties with a huge advantage to practical applications and devices.
Helical versus Flat Bis-Ferrocenyl End-Capped Peptides: The Influence of the Molecular Skeleton on Redox Properties
Authors: Santi Saverio , Biondi Barbara , Cardena Roberta , Bisello Annalisa , Schiesari Renato , Tomelleri Silvia , Crisma Marco , Formaggio Fernando
Published: September 2022

Despite the fact that peptide conjugates with a pendant ferrocenyl (Fc) have been widely investigated, bis-ferrocenyl end-capped peptides are rarely synthetized. In this paper, in addition to the full characterization of the Fc-CO-[L-Dap(Boc)]n-NH-Fc series, we report a comparison of the three series of bis-ferrocenyl homopeptides synthesized to date, to gain insights into the influence of α-amino isobutyric (Aib), 2,3-diamino propionic (Dap) and Cα,β-didehydroalanine (ΔAla) amino acids on the peptide secondary structure and on the ferrocene redox properties. The results obtained by 2D NMR analysis and X-ray crystal structures, and further supported by electrochemical data, evidence different behaviors depending on the nature of the amino acid; that is, the formation of 310-helices or fully extended (2.05-helix) structures. In these foldamers, the orientation of the carbonyl groups in the peptide helix yields a macrodipole with the positive pole on the N-terminal amino acid and the negative pole on the C-terminal amino acid, so that oxidation of the Fc moieties takes place more or less easily depending on the orientation of the macrodipole moment as the peptide chain grows. Conversely, the fully extended conformation adopted by ΔAla flat peptides neither generates a macrodipole nor affects Fc oxidation. The utilization as electrochemical and optical (Circular Dichroism) probes of the two terminal Fc groups, bound to the same peptide chain, makes it possible to study the end-to-end effects of the positive charges produced by single and double oxidations, and to evidence the presence “exciton-coupled” CD among the two intramolecularly interacting Fc groups of the L-Dap(Boc) series.
Synthesis and Characterization of Reproducible Linseed Oil-Loaded Silica Nanoparticles with Potential Use as Oxygen Scavengers in Active Packaging
Authors: Alvarado Juan Felipe , Rozo Daniel Fernando , Chaparro Luis Miguel , Medina Jorge Alberto , Salcedo-Galán Felipe
Published: September 2022

Commercially available oxygen scavengers used to prevent lipid autoxidation, microbial growth and enzymatic browning in food products present several issues, which include the usage of metals and their moisture dependence to work properly. We present the synthesis and characterization of a moisture-independent oil-based oxygen scavenging system comprised of linseed oil and silica nanoparticles. The system was synthesized via sol-gel chemistry and was characterized using morphological analysis (SEM, AFM, TEM, and N2 adsorption/desorption), oil-loading analysis (TGA), and surface analysis (ζ-potential and ATR-FTIR). Performance of the system was evaluated through headspace measurements and reproducibility of synthetic procedure was verified using six replicates. Nanoparticles showed the desired spherical shape with a diameter of (122.7 ± 42.7 nm) and mesoporosity (pore diameter = 3.66 ± 0.08 nm), with an encapsulation efficiency of 33.9 ± 1.5% and a highly negative ζ-potential (−56.1 ± 1.2 mV) in basic solution. Performance of the system showed a promising high value for oxygen absorption of 25.8 ± 4.5 mL O2/g of encapsulated oil (8.3 ± 1.5 mL O2/g of nanocapsules) through a moisture independent mechanism, which suggests that the synthesized system can be used as an oxygen scavenger in dry atmosphere conditions.
EEG Correlation Coefficient Change with Motor Task Activation Can Be a Predictor of Functional Recovery after Hemiparetic Stroke
Authors: Zheng Fei , Sato Shin , Mamada Kenji , Ozaki Naoto , Kubo Jin , Kakuda Wataru
Published: September 2022

Background: Recently, it was reported that the extent of cortico-cortical functional connections can be estimated by the correlation coefficient based on electroencephalography (EEG) monitoring. We aimed to investigate whether the EEG correlation coefficient change with motor task activation can predict the functional outcomes of hemiparetic stroke patients. Methods: Sixteen post-stroke hemiparetic patients admitted to our rehabilitation ward were studied. On admission, EEG recording to calculate the correlation coefficient was performed at rest and during motor task activation. For the analysis of the EEG data, the program software FOCUS (NIHON KOHDEN, Japan) was used. The motor function of paretic limbs was evaluated with the Fugl–Meyer Assessment (FMA) on admission and 4 weeks after admission. Results: Significant increases in the correlation coefficient with motor task activation were noted in C3-F3 or C4-F4, C3-F7 or C4-F8, and F3-F7 or F4-F8 of the lesional hemisphere. Among them, the rate of the correlation coefficient change in F3-F7 or F4-F8 in the lesional hemisphere was significantly correlated with the rate of the upper-limb FMA score change. Conclusion: The extent of the EEG correlation coefficient change with motor task activation in F3-F7 or F4-F8 of the lesional hemisphere may help predict the motor functional outcomes of hemiparetic upper limbs after stroke.
Ganoderma lucidum Modulates Inflammatory Responses following 1-Methyl-4-Phenyl-1,2,3,6-Tetrahydropyridine (MPTP) Administration in Mice
Authors: Ren Zhili , Ding Hui , Zhou Ming , Chan Piu
Published: September 2022

Ganoderma lucidum, one of the most valued medicinal mushrooms, has been used for health supplements and medicine in China. Our previous studies have proved that Ganoderma lucidum extract (GLE) could inhibit activation of microglia and protect dopaminergic neurons in vitro. In the present study, we investigated the anti-neuroinflammatory potential of GLE in vivo on Parkinsonian-like pathological dysfunction. Male C57BL/6J mice were subjected to acute 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) lesion, and a treatment group was administered intragastrically with GLE at a dose of 400 mg/kg. Immunohistochemistry staining showed that GLE efficiently repressed MPTP-induced microglia activation in nigrostriatal region. Accordingly, Bio-plex multiple cytokine assay indicated that GLE treatment modulates abnormal cytokine expression levels. In microglia BV-2 cells incubated with LPS, increased expression of iNOS and NLRP3 were effectively inhibited by 800 μg/mL GLE. Furthermore, GLE treatment decreased the expression of LC3II/I, and further enhanced the expression of P62. These results indicated that the neuroprotection of GLE in an experimental model of PD was partially related to inhibition of microglia activation in vivo and vitro, possibly through downregulating the iNOS/NLRP3 pathway, inhibiting abnormal microglial autophagy and lysosomal degradation, which provides new evidence for Ganoderma lucidum in PD treatment.
Dietary Liberalization in Tetrahydrobiopterin-Treated PKU Patients: Does It Improve Outcomes?
Authors: Evers Roeland A. F. , van Wegberg Annemiek M. J. , MacDonald Anita , Huijbregts Stephan C. J. , Leuzzi Vincenzo , van Spronsen Francjan J.
Published: September 2022

Purpose: this systematic review aimed to assess the effects of dietary liberalization following tetrahydrobiopterin (BH4) treatment on anthropometric measurements, nutritional biomarkers, quality of life, bone density, mental health and psychosocial functioning, and burden of care in PKU patients. Methods: the PubMed, Cochrane, and Embase databases were searched on 7 April 2022. We included studies that reported on the aforementioned domains before and after dietary liberalization as a result of BH4 treatment in PKU patients. Exclusion criteria were: studies written in a language other than English; studies that only included data of a BH4 loading test; insufficient data for the parameters of interest; and wrong publication type. Both within-subject and between-subject analyses were assessed, and meta-analyses were performed if possible. Results: twelve studies containing 14 cohorts and 228 patients were included. Single studies reported few significant differences. Two out of fifteen primary meta-analyses were significant; BMI was higher in BH4-treated patients versus controls (p = 0.02; standardized mean difference (SMD) (95% confidence interval (CI)) = −0.37 (−0.67, −0.06)), and blood cholesterol concentrations increased after starting BH4 treatment (p = 0.01; SMD (CI) = −0.70 (−1.26, −0.15)). Conclusion: there is no clear evidence that dietary liberalization after BH4 treatment has a positive effect on anthropometric measurements, nutritional biomarkers, or quality of life. No studies could be included for bone density, mental health and psychosocial functioning, and burden of care.
The Roles of Probiotics in the Gut Microbiota Composition and Metabolic Outcomes in Asymptomatic Post-Gestational Diabetes Women: A Randomized Controlled Trial
Authors: Hasain Zubaidah , Raja Ali Raja Affendi , Ahmad Hajar Fauzan , Abdul Rauf Ummul Fahri , Oon Seok Fang , Mokhtar Norfilza Mohd
Published: September 2022

Probiotics are widely used as an adjuvant therapy in various diseases. Nonetheless, it is uncertain how they affect the gut microbiota composition and metabolic and inflammatory outcomes in women who have recently experienced gestational diabetes mellitus (post-GDM). A randomized, double-blind, placebo-controlled clinical trial involving 132 asymptomatic post-GDM women was conducted to close this gap (Clinical Trial Registration: NCT05273073). The intervention (probiotics) group received a cocktail of six probiotic strains from Bifidobacterium and Lactobacillus for 12 weeks, while the placebo group received an identical sachet devoid of living microorganisms. Anthropometric measurements, biochemical analyses, and 16S rRNA gene sequencing results were evaluated pre- and post-intervention. After the 12-week intervention, the probiotics group’s fasting blood glucose level significantly decreased (mean difference −0.20 mmol/L; p = 0.0021). The HbA1c, total cholesterol, triglycerides, and high-sensitivity C-reactive protein levels were significantly different between the two groups (p < 0.05). Sequencing data also demonstrated a large rise in the Bifidobacterium adolescentis following probiotic supplementation. Our findings suggest that multi-strain probiotics are beneficial for improved metabolic and inflammatory outcomes in post-GDM women by modulating gut dysbiosis. This study emphasizes the necessity for a comprehensive strategy for postpartum treatment that includes probiotics to protect post-GDM women from developing glucose intolerance.
Fatty Acid-Derived N-acylethanolamines Dietary Supplementation Attenuates Neuroinflammation and Cognitive Impairment in LPS Murine Model
Authors: Tyrtyshnaia Anna , Konovalova Sophia , Ponomarenko Arina , Egoraeva Anastasia , Manzhulo Igor
Published: September 2022

Neuroinflammation plays a critical role in the pathogenesis of most neurological and neurodegenerative diseases and therefore represents a potential therapeutic target. In this regard, accelerating the resolution process in chronic neuroinflammation may be an effective strategy to deal with the cognitive consequences of neuropathology and generalized inflammatory processes. N-acylethanolamine (NAE) derivatives of fatty acids, being highly active lipid mediators, possess pro-resolving activity in inflammatory processes and are promising agents for the suppression of neuroinflammation and its consequences. This paper is devoted to a study of the effects played by dietary supplement (DS), containing a composition of fatty acid-derived NAEs, obtained from squid Berryteuthis magister, on the hippocampal neuroinflammatory and memory processes. By detecting the production of pro-inflammatory cytokines and glial markers, a pronounced anti-inflammatory activity of DS was demonstrated both in vitro and in vivo. DS administration reversed the LPS-induced reduction in hippocampal neurogenesis and memory deterioration. LC-MS analysis revealed an increase in the production of a range of NAEs with well-documented anti-inflammatory activity in response to the administered lipid composition. To conclude, we found that tested DS suppresses the neuroinflammatory response by reducing glial activation, positively regulates neural progenitor proliferation, and attenuates hippocampal-dependent memory impairment.