bluuebunny/crossref_metadata_2025 huggingface dataset:
Phase Transitions Equilibria of Five Dichlorinated Substituted Benzenes
Authors: Almeida Ana R. R. P. , Pinheiro Bruno D. A. , Monte Manuel J. S.
Published: February 2023

This work reports an experimental study aiming to determine the thermodynamic properties of five chlorinated compounds with environmental impact. The vapor pressures of the crystalline phases of three isomers of dichlorobenzoic acid (2,4-, 2,5-, and 2,6-) and 2,6-dichlorobenzonitrile were measured at several temperatures using the Knudsen effusion technique. Another technique (a static method based on capacitance diaphragm manometers) allowed the measurement of the vapor pressures of both the crystalline and liquid phases of 2,4-dichlorobenzonitrile between 303.0 and 380.0 K. This latter technique also enabled the measurement of sublimation vapor pressures of 2,6-dichlorobenzonitrile over a larger range interval of temperatures, T = 328.7 and 391.8 K. The standard molar enthalpy, entropy, and Gibbs energy of sublimation (for all the compounds studied) and vaporization (for 2,4-dichlorobenzonitrile) were derived, at reference temperatures, from the experimental vapor pressure results. The temperatures and enthalpies of fusion and the isobaric heat capacities of the five crystalline-substituted benzenes were determined using differential scanning calorimetry. The contributions of the three substituents (-COOH, -CN, and -Cl) to the sublimation thermodynamic properties of the compounds studied were discussed.
Hydrogel for the Controlled Delivery of Bioactive Components from Extracts of Eupatorium glutinosum Lam. Leaves
Authors: Zamora-Mendoza Lizbeth , Vispo Santiago Nelson , De Lima Lola , Mora José R. , Machado António , Alexis Frank
Published: February 2023

This research reported a hydrogel loaded with the ethanolic and methanolic extracts of Eupatorium glutinosum Lam. The E. glutinosum extracts were characterized by phytochemical screening, Fourier-transform infrared spectroscopy (FTIR), thin-layer chromatography (TLC), and UV/Vis profile identification. This research also evaluated the pharmacological activity of the extracts using antimicrobial, antioxidant, and anti-inflammatory assays prior to polymeric encapsulation. Results indicate that extracts inhibit the Escherichia colii DH5-α (Gram negative) growth; excellent antioxidant activity was evaluated by the ferric reducing power and total antioxidant activity assays, and extracts showed an anti-hemolytic effect. Moreover, the cotton and microcrystalline cellulose hydrogels demonstrate successful encapsulation based on characterization and kinetics studies such as FTIR, extract release, and swelling degree. Moreover, effective antibacterial activity was registered by the loaded hydrogel. The overall results encourage and show that Eupatorium glutinosum-loaded hydrogel may find a wide range of bandage and wound healing applications in the biomedical area.
Graded 2D/3D Perovskite Hetero-Structured Films with Suppressed Interfacial Recombination for Efficient and Stable Solar Cells via DABr Treatment
Authors: Mateen Muhammad , Shi Hongxi , Huang Hao , Li Ziyu , Ahmad Waseem , Rafiq Muhammad , Shah Usman Ali , Sajid Sajid , Ren Yingke , Park Jongee , Chi Dan , Lu Zhangbo , Huang Shihua
Published: February 2023

Several strategies and approaches have been reported for improving the resilience and optoelectronic properties of perovskite films. However, fabricating a desirable and stable perovskite absorber layer is still a great challenge due to the optoelectronic and fabrication limitations of the materials. Here, we introduce diethylammonium bromide (DABr) as a post-treatment material for the pre-deposited methylammonium lead iodide (MAPbI3) film to fabricate a high-quality two-dimensional/three-dimensional (2D/3D) stacked hetero-structure perovskite film. The post-treatment method of DABr not only induces the small crystals of MAPbI3 perovskite secondary growth into a large crystal, but also forms a 2D capping layer on the surface of the 3D MAPbI3 film. Meanwhile, the grains and crystallization of 3D film with DABr post-treatment are significantly improved, and the surface defect density is remarkably reduced, which in turn effectively suppressed the charge recombination in the interface between the perovskite layer and the charge transport layer. The perovskite solar cell based on the DABr-treatment exhibited a significantly enhanced power conversion efficiency (PCE) of 19.10% with a notable improvement in the open circuit voltage (VOC) of 1.06 V and good stability, advocating the potential of this perovskite post-treatment approach.
Rational Design of a Low-Data Regime of Pyrrole Antioxidants for Radical Scavenging Activities Using Quantum Chemical Descriptors and QSAR with the GA-MLR and ANN Concepts
Authors: Xie Wanting , Wiriyarattanakul Sopon , Rungrotmongkol Thanyada , Shi Liyi , Wiriyarattanakul Amphawan , Maitarad Phornphimon
Published: February 2023

A series of pyrrole derivatives and their antioxidant scavenging activities toward the superoxide anion (O2•−), hydroxyl radical (•OH), and 1,1-diphenyl-2-picryl-hydrazyl (DPPH•) served as the training data sets of a quantitative structure–activity relationship (QSAR) study. The steric and electronic descriptors obtained from quantum chemical calculations were related to the three O2•−, •OH, and DPPH• scavenging activities using the genetic algorithm combined with multiple linear regression (GA-MLR) and artificial neural networks (ANNs). The GA-MLR models resulted in good statistical values; the coefficient of determination (R2) of the training set was greater than 0.8, and the root mean square error (RMSE) of the test set was in the range of 0.3 to 0.6. The main molecular descriptors that play an important role in the three types of antioxidant activities are the bond length, HOMO energy, polarizability, and AlogP. In the QSAR-ANN models, a good R2 value above 0.9 was obtained, and the RMSE of the test set falls in a similar range to that of the GA-MLR models. Therefore, both the QSAR GA-MLR and QSAR-ANN models were used to predict the newly designed pyrrole derivatives, which were developed based on their starting reagents in the synthetic process.
On-Site Detection of Volatile Organic Compounds (VOCs)
Authors: Epping Ruben , Koch Matthias
Published: February 2023

Volatile organic compounds (VOCs) are of interest in many different fields. Among them are food and fragrance analysis, environmental and atmospheric research, industrial applications, security or medical and life science. In the past, the characterization of these compounds was mostly performed via sample collection and off-site analysis with gas chromatography coupled to mass spectrometry (GC-MS) as the gold standard. While powerful, this method also has several drawbacks such as being slow, expensive, and demanding on the user. For decades, intense research has been dedicated to find methods for fast VOC analysis on-site with time and spatial resolution. We present the working principles of the most important, utilized, and researched technologies for this purpose and highlight important publications from the last five years. In this overview, non-selective gas sensors, electronic noses, spectroscopic methods, miniaturized gas chromatography, ion mobility spectrometry and direct injection mass spectrometry are covered. The advantages and limitations of the different methods are compared. Finally, we give our outlook into the future progression of this field of research.
Analysis of Co-Crystallization Mechanism of Theophylline and Citric Acid from Raman Investigations in Pseudo Polymorphic Forms Obtained by Different Synthesis Methods
Authors: Guinet Yannick , Paccou Laurent , Hédoux Alain
Published: February 2023

Designing co-crystals can be considered as a commonly used strategy to improve the bioavailability of many low molecular weight drug candidates. The present study has revealed the existence of three pseudo polymorphic forms of theophylline–citric acid (TP–CA) co-crystal obtained via different routes of synthesis. These forms are characterized by different degrees of stability in relation with the strength of intermolecular forces responsible for the co-crystalline cohesion. Combining low- and high-frequency Raman investigations made it possible to identify anhydrous and hydrate forms of theophylline–citric acid co-crystals depending on the preparation method. It was shown that the easiest form to synthesize (form 1′), by milling one hydrate with an anhydrous reactant, is very metastable, and transforms into the anhydrous form 1 upon heating or into the hydrated form 2 when it is exposed to humidity. Raman investigations performed in situ during the co-crystallization of forms 1 and 2 have shown that two different types of H-bonding ensure the co-crystalline cohesion depending on the presence of water. In the hydrated form 2, the cohesive forces are related to strong O–H … O H-bonds between water molecules and the reactants. In the anhydrous form 1, the co-crystalline cohesion is ensured by very weak H-bonds between the two anhydrous reactants, interpreted as corresponding to π-H-bonding. The very weak strength of the cohesive forces in form 1 explains the difficulty to directly synthesize the anhydrous co-crystal.
Inducible Nitric Oxide Synthase Embedded in Alginate/Polyethyleneimine Hydrogel as a New Platform to Explore NO-Driven Modulation of Biological Function
Authors: Maher Shaimaa , Smith Lauren A. , El-Khoury Celine A. , Kalil Haitham , Sossey-Alaoui Khalid , Bayachou Mekki
Published: February 2023

Nitric oxide (NO), a small free radical molecule, turned out to be pervasive in biology and was shown to have a substantial influence on a range of biological activities, including cell growth and apoptosis. This molecule is involved in signaling and affects a number of physiologic functions. In recent decades, several processes related to cancer, such as angiogenesis, programmed cell death, infiltration, cell cycle progression, and metastasis, have been linked with nitric oxide. In addition, other parallel work showed that NO also has the potential to operate as an anti-cancer agent. As a result, it has gained attention in cancer-related therapeutics. The nitric oxide synthase enzyme family (NOS) is required for the biosynthesis of nitric oxide. It is becoming increasingly popular to develop NO-releasing materials as strong tumoricidal therapies that can deliver sustained high concentrations of nitric oxide to tumor sites. In this paper, we developed NO-releasing materials based on sodium alginate hydrogel. In this regard, alginate hydrogel discs were modified by adsorbing layers of polyethyleneimine and iNOS-oxygenase. These NO-releasing hydrogel discs were prepared using the layer-by-layer film building technique. The iNOS-oxygenase is adsorbed on the positively charged polyethyleneimine (PEI) matrix layer, which was formed on a negatively charged sodium alginate hydrogel. We show that nitric oxide is produced by enzymes contained within the hydrogel material when it is exposed to a solution containing all the components necessary for the NOS reaction. The electrostatic chemical adsorption of the layer-by-layer process was confirmed by FTIR measurements as well as scanning electron microscopy. We then tested the biocompatibility of the resulting modified sodium alginate hydrogel discs. We showed that this NOS-PEI-modified hydrogel is overall compatible with cell growth. We characterized the NOS/hydrogel films and examined their functional features in terms of NO release profiles. However, during the first 24 h of activity, these films show an increase in NO release flux, followed by a gradual drop and then a period of stable NO release. These findings show the inherent potential of using this system as a platform for NO-driven modulation of biological functions, including carcinogenesis.
Preparation, Structural Characterisation, and Bioactivities of Fructans: A Review
Authors: Wang Min , Cheong Kit-Leong
Published: February 2023

Polysaccharides are important components of higher plants and have attracted increasing attention due to their many nutraceutical benefits in humans. Fructans, heterogeneous fructose polymers that serve as storage carbohydrates in various plants, represent one of the most important types of natural polysaccharides. Fructans have various physiological and therapeutic effects, which are beneficial to health, and have the ability to prevent or treat various diseases, allowing their wide use in the food, nutraceutical, and pharmaceutical industries. This article reviews the occurrence, metabolism, preparation, characterisation, analysis, and bioactivity of fructans. Further, their molecular weight, monosaccharide composition, linkages, and structural determination are described. Taken together, this review provides a theoretical foundation for further research into the structure–function relationships of fructans, as well as valuable new information and directions for further research and application of fructans in functional foods.
Natural Zeolites for the Sorption of Ammonium: Breakthrough Curve Evaluation and Modeling
Authors: Eberle Stephan , Schmalz Viktor , Börnick Hilmar , Stolte Stefan
Published: February 2023

The excessive use of ammonium fertilizer and its associated leakage threatens aquatic environments around the world. With a focus on the treatment of drinking water, the scope of this study was to evaluate and model the breakthrough curves for NH4+ in zeolite-filled, fixed-bed columns. Breakthrough experiments were performed in single- and multi-sorbate systems with the initial K+ and NH4+ concentrations set to 0.7 mmol/L. Breakthrough curves were successfully modeled by applying the linear driving force (LDF) and Thomas models. Batch experiments revealed that a good description of NH4+ sorption was provided by the Freundlich sorption model (R2 = 0.99), while unfavorable sorption was determined for K+ (nF = 2.19). Intraparticle diffusion was identified as the rate limiting step for NH4+ and K+ during breakthrough. Compared to ultrapure water, the use of tap, river, and groundwater matrices decreased the treated bed volumes by between 25% and 69%—as measured at a NH4+ breakthrough level of 50%. The concentrations of K+ and of dissolved organic carbon (DOC) were identified as the main parameters that determine NH4+ sorption in zeolite-filled, fixed-bed columns. Based on our results, the LDF and Thomas models are promising tools to predict the breakthrough curves of NH4+ in zeolite-filled, fixed-bed columns.
Hydrogen Bonds
Authors: Jabłoński Mirosław
Published: February 2023

The Topical Collection “Hydrogen Bonds” is a continuation of the previous Special Issue “Intramolecular Hydrogen Bonding 2021” [...]
Multiple Beneficial Effects of Aloesone from Aloe vera on LPS-Induced RAW264.7 Cells, Including the Inhibition of Oxidative Stress, Inflammation, M1 Polarization, and Apoptosis
Authors: Wang Yan , Xiong Zhongyv , Li Chang , Liu Dong , Li Xiaogang , Xu Junyv , Chen Niangen , Wang Xuesong , Li Qifu , Li Youbin
Published: February 2023

Aloesone is a major metabolic compound in Aloe vera, which has been widely used as a food source and therapeutic agent in several countries. Our recent study demonstrated that aloesone has anti-epileptic effects on glutamate-induced neuronal injury by suppressing the production of reactive oxygen species (ROS). Unless ROS are naturally neutralized by the endogenous antioxidant system, they lead to the activation of inflammation, polarization, and apoptosis. This study aimed to identify the multiple beneficial effects of aloesone and explore its molecular mechanism in macrophages. Hence, the murine macrophage cell line RAW264.7 was pretreated with aloesone and then exposed to lipopolysaccharides (LPS). The results demonstrated that aloesone, within a dosage range of 0.1–100 µM, dramatically decreased the LPS-induced elevation of ROS production, reduced nitric oxide (NO) release, inhibited the M1 polarization of RAW264.7 cells, and prevented cells from entering the LPS-induced early and late phases of apoptosis in a dose-dependent manner. Simultaneously, aloesone significantly decreased the mRNA expression of inflammation-related genes (iNOS, IL-1ꞵ, TNF-α) and increased the expression of antioxidant enzymes (Gpx-1 and SOD-1). The core genes HSP90AA1, Stat3, Mapk1, mTOR, Fyn, Ptk2b, and Lck were closely related to these beneficial effects of aloesone. Furthermore, immunofluorescence staining and flow cytometry data confirmed that aloesone significantly repressed the activation of mTOR, p-mTOR, and HIF-1α induced by LPS and inhibited the protein expression of TLR4, which is the target of LPS. In conclusion, aloesone demonstrated multiple protective effects against LPS-induced oxidative stress, inflammation, M1 polarization, and apoptosis in macrophages, suggesting its potential as a prodrug.
Dental Luting Cements: An Updated Comprehensive Review
Authors: Heboyan Artak , Vardanyan Anna , Karobari Mohmed Isaqali , Marya Anand , Avagyan Tatevik , Tebyaniyan Hamid , Mustafa Mohammed , Rokaya Dinesh , Avetisyan Anna
Published: February 2023

The cementation of indirect restoration is one of the most important steps in prosthetic and restorative dentistry. Cementation aims to bond the prosthetic restoration to the prepared enamel or enamel and dentine. Successful cementation protocols prevent biofilm formation at the margin between tooth and restoration and minimize mechanical and biological complications. With the advancements in dental cements, they have been modified to be versatile in terms of handling, curing, and bond strengths. This review presents updates on dental cements, focusing on the composition, properties, advantages, limitations, and indications of the various cements available. Currently, dental restorations are made from various biomaterials, and depending on each clinical case, an appropriate luting material will be selected. There is no luting material that can be universally used. Therefore, it is important to distinguish the physical, mechanical, and biological properties of luting materials in order to identify the best options for each case. Nowadays, the most commonly used dental cements are glass-ionomer and resin cement. The type, shade, thickness of resin cement and the shade of the ceramic, all together, have a tangible influence on the final restoration color. Surface treatments of the restoration increase the microtensile bond strength. Hence, the proper surface treatment protocol of both the substrate and restoration surfaces is needed before cementation. Additionally, the manufacturer’s instructions for the thin cement-layer thickness are important for the long-term success of the restoration.
Peculiar Properties of the La0.25Ba0.25Sr0.5Co0.8Fe0.2O3−δ Perovskite as Oxygen Reduction Electrocatalyst
Authors: Aliotta Chiara , Costa Maria , Liotta Leonarda Francesca , La Parola Valeria , Magnacca Giuliana , Deganello Francesca
Published: February 2023

The electrochemical reduction of molecular oxygen is a fundamental process in Solid Oxide Fuel Cells and requires high efficiency cathode materials. Two La0.25Ba0.25Sr0.5Co0.8Fe0.2O3−δ-based perovskite compounds were prepared by solution combustion synthesis, and characterized for their structural, microstructural, surface, redox and electrochemical properties as potential cathodes in comparison with Ba0.5Sr0.5Co0.8Fe0.2O3−δ and La0.5Sr0.5Co0.8Fe0.2O3−δ perovskites. Results highlighted that calcination at 900 °C led to a “bi-perovskite heterostructure”, where two different perovskite structures coexist, whereas at higher calcination temperatures a single-phase perovskite was formed. The results showed the effectiveness of the preparation procedures in co-doping the A-site of perovskites with barium and lanthanum as a strategy to optimize the cathode’s properties. The formation of nanometric heterostructure co-doped in the A-site evidenced an improvement in oxygen vacancies’ availability and in the redox properties, which promoted both processes: oxygen adsorption and oxygen ions drift, through the cathode material, to the electrolyte. A reduction in the total resistance was observed in the case of heterostructured material.
The Application of Cinnamon Twig Extract as an Inhibitor of Listeriolysin O against Listeria monocytogenes Infection
Authors: Hou Xiaoning , Sheng Qiushuang , Zhang Jichuan , Du Runbao , Wang Nan , Zhu Haoyu , Deng Xuming , Wen Zhongmei , Wang Jianfeng , Zhou Yonglin , Li Dan
Published: February 2023

As a major virulence factor of Listeria monocytogenes (L. monocytogenes), listeriolysin O (LLO) can assist in the immune escape of L. monocytogenes, which is critical for the pathogen to evade host immune recognition, leading to various infectious diseases. Cinnamon twig (CT), as a traditional medicine, has been widely used in clinics for multiple functions and it has exhibited excellent safety, efficacy and stability. There are few reports on the effects of the extracts of traditional medicine on bacterial virulence factors. CT has not been reported to be effective in the treatment of L. monocytogenes infection. Therefore, this study aims to explore the preventive effect of CT against L. monocytogenes infection in vivo and in vitro by targeting LLO. Firstly, a hemolysis assay and a cell viability determination are used to detect the effect of CT extract on the inhibition of the cytolytic activity of LLO. The potential mechanism through which CT extract inhibits LLO activity is predicted through network pharmacology, molecular docking assay, real-time polymerase chain reaction (RT-PCR), Western blotting and circular dichroism (CD) analysis. The experimental therapeutic effect of CT extract is examined in a mouse model infected with L. monocytogenes. Then, the ingredients are identified through a high-performance liquid chromatography (HPLC) and thin layer chromatography (TLC) analysis. Here we find that CT extract, containing mainly cinnamic acid, cinnamaldehyde, β-sitosterol, taxifolin, catechin and epicatechin, shows a potential inhibition of LLO-mediated hemolysis without any antimicrobial activity. The results of the mechanism research show that CT extract treatment can simultaneously inhibit LLO expression and oligomerization. Furthermore, the addition of CT extract led to a remarkable alleviation of LLO-induced cytotoxicity. After treatment with CT extract, the mortality, bacterial load, pathological damage and inflammatory responses of infected mice are significantly reduced when compared with the untreated group. This study suggests that CT extract can be a novel and multicomponent inhibitor of LLO with multiple strategies against L. monocytogenes infection, which could be further developed into a novel treatment for infections caused by L. monocytogenes.
Conjugated Polymer-Based Nanocomposites for Pressure Sensors
Authors: Lai Qin-Teng , Sun Qi-Jun , Tang Zhenhua , Tang Xin-Gui , Zhao Xin-Hua
Published: February 2023

Flexible sensors are the essential foundations of pressure sensing, microcomputer sensing systems, and wearable devices. The flexible tactile sensor can sense stimuli by converting external forces into electrical signals. The electrical signals are transmitted to a computer processing system for analysis, realizing real-time health monitoring and human motion detection. According to the working mechanism, tactile sensors are mainly divided into four types—piezoresistive, capacitive, piezoelectric, and triboelectric tactile sensors. Conventional silicon-based tactile sensors are often inadequate for flexible electronics due to their limited mechanical flexibility. In comparison, polymeric nanocomposites are flexible and stretchable, which makes them excellent candidates for flexible and wearable tactile sensors. Among the promising polymers, conjugated polymers (CPs), due to their unique chemical structures and electronic properties that contribute to their high electrical and mechanical conductivity, show great potential for flexible sensors and wearable devices. In this paper, we first introduce the parameters of pressure sensors. Then, we describe the operating principles of resistive, capacitive, piezoelectric, and triboelectric sensors, and review the pressure sensors based on conjugated polymer nanocomposites that were reported in recent years. After that, we introduce the performance characteristics of flexible sensors, regarding their applications in healthcare, human motion monitoring, electronic skin, wearable devices, and artificial intelligence. In addition, we summarize and compare the performances of conjugated polymer nanocomposite-based pressure sensors that were reported in recent years. Finally, we summarize the challenges and future directions of conjugated polymer nanocomposite-based sensors.
Study of Genotoxicity, Activities on Caspase 8 and on the Stabilization of the Topoisomerase Complex of Isoeleutherin and Analogues
Authors: Albuquerque Kelly Cristina Oliveira de , Galucio Natasha Costa da Rocha , Ferreira Gleison Gonçalves , Quaresma Ana Carolina Sousa , Vale Valdicley Vieira , Bahia Marcelo de Oliveira , Burbano Rommel Mario Rodriguez , Molfetta Fábio Alberto de , Percario Sandro , Dolabela Maria Fâni
Published: February 2023

This study evaluated the genotoxicity of Ethanol Extract (EEEp), Dichloromethane Fraction (FDCMEp) and isoeleutherin isolated from Eleutherine plicata, using the micronucleus test and the impact of structural alterations on toxicity and molecular docking (topoisomerase II and DNA complex). The extract was obtained by maceration and fractionation in a chromatography column. The genotoxicity was evaluated by the micronucleus test in human hepatoma cells (HepG2). Isoeleutherin was the starting molecule in the search for analogues by structural similarity, using the ZINC and e-Molecules databases. Isoeleutherin and analogues were subjected to in silico toxicity prediction, and compounds free of toxicological risks (CP13, CP14, CP17 and isoeleutherin) were selected for molecular docking in Topoisomerase II (PDB: 1ZXM). In the micronucleus test, isoeleutherin was less genotoxic. Among the 22 isoeleutherin analogues there were variations in the toxicity profile. Molecular docking studies showed that the compounds have good complementarity in the active site with important hydrogens bonds. Therefore, the structural changes of isoeleutherin led to the obtaining of a molecule with a lower mutagenic potential, and the CP13 can be considered a prototype compound for the development of new molecules with pharmacological potential.
Enhancing the Catalytic Activity of Mo(110) Surface via Its Alloying with Submonolayer to Multilayer Boron Films and Oxidation of the Alloy: A Case of (CO + O2) to CO2 Conversion
Authors: Men Yong , Magkoev Tamerlan T. , Behjatmanesh-Ardakani Reza , Zaalishvili Vladislav B. , Ashkhotov Oleg G.
Published: February 2023

In-situ formation of boron thin films on the Mo(110) surface, as well as the formation of the molybdenum boride and its oxide and the trends of carbon monoxide catalytic oxidation on the substrates formed, have been studied in an ultra-high vacuum (UHV) by a set of surface-sensitive characterization techniques: Auger and X-ray photoelectron spectroscopy (AES, XPS), low-energy ion scattering (LEIS), reflection-absorption infrared spectroscopy (RAIRS), temperature-programmed desorption (TPD), electron energy loss spectroscopy (EELS) and work function measurements using the Anderson method. The boron deposited at Mo(110) via electron-beam deposition at a substrate temperature of 300 K grows as a 2D layer, at least in submonolayer coverage. Such a film is bound to the Mo(110) via polarized chemisorption bonds, dramatically changing the charge density at the substrate surface manifested by the Mo(110) surface plasmon damping. Upon annealing of the B-Mo(110) system, the boron diffuses into the Mo(110) bulk following a two-mode regime: (1) quite easy dissolution, starting at a temperature of about 450 K with an activation energy of 0.4 eV; and (2) formation of molybdenum boride at a temperature higher than 700 K with M-B interatomic bonding energy of 3.8 eV. The feature of the formed molybdenum boride is that there is quite notable carbon monoxide oxidation activity on its surface. A further dramatic increase of such an activity is achieved when the molybdenum boride is oxidized. The latter is attributed to more activated states of molecular orbitals of coadsorbed carbon monoxide and oxygen due to their enhanced interaction with both boron and oxygen species for MoxByOz ternary compound, compared to only boron for the Mox’By’ double alloy.
Nanostructured Materials and Advanced Processes for Application in Water Purification
Authors: Aggelopoulos Christos A.
Published: February 2023

Water pollution is a major environmental problem that has a significant impact on human and animal health and the ecosystem [...]
Research Progress and Application of Polyimide-Based Nanocomposites
Authors: Ma Jinming , Liu Xiangfu , Wang Rongwen , Lu Chengxu , Wen Xueqin , Tu Guoli
Published: February 2023

Polyimide (PI) is one of the most dominant engineering plastics with excellent thermal, mechanical, chemical stability and dielectric performance. Further improving the versatility of PIs is of great significance, broadening their application prospects. Thus, integrating functional nanofillers can finely tune the individual characteristic to a certain extent as required by the function. Integrating the two complementary benefits, PI-based composites strongly expand applications, such as aerospace, microelectronic devices, separation membranes, catalysis, and sensors. Here, from the perspective of system science, the recent studies of PI-based composites for molecular design, manufacturing process, combination methods, and the relevant applications are reviewed, more relevantly on the mechanism underlying the phenomena. Additionally, a systematic summary of the current challenges and further directions for PI nanocomposites is presented. Hence, the review will pave the way for future studies.
Lateral Controlled Doping and Defect Engineering of Graphene by Ultra-Low-Energy Ion Implantation
Authors: Junge Felix , Auge Manuel , Zarkua Zviadi , Hofsäss Hans
Published: February 2023

In this paper, the effectiveness of ultra-low-energy ion implantation as a means of defect engineering in graphene was explored through the measurement of Scanning Kelvin Probe Microscopy (SKPM) and Raman spectroscopy, with boron (B) and helium (He) ions being implanted into monolayer graphene samples. We used electrostatic masks to create a doped and non-doped region in one single implantation step. For verification we measured the surface potential profile along the sample and proved the feasibility of lateral controllable doping. In another experiment, a voltage gradient was applied across the graphene layer in order to implant helium at different energies and thus perform an ion-energy-dependent investigation of the implantation damage of the graphene. For this purpose Raman measurements were performed, which show the different damage due to the various ion energies. Finally, ion implantation simulations were conducted to evaluate damage formation.
Diverse Methods to Nanomanufacture Colloidal Dispersions of Polyaniline without Templates
Authors: Barbero Cesar A.
Published: February 2023

Different methods which could be used to produce colloidal dispersions of polyaniline (PANI) nano-objects without templates are described. While the methods are non-deterministic, different nano-objects (nanospheres, nanofibers, nanobelts, nanorice, nanotubes, nanorods, nanodisks, etc.) can be produced. Those most used are: (i) solution polymerization with steric stabilizers (SPS) to produce nanospheres, (ii) interfacial polymerization (IP) to produce nanofibers and (iii) solution polymerization in the presence of additives (SPA) to produce nanotubes. Oxidation of aniline in aqueous solution could produce nanotubes, nanofibers and other shapes by controlling mass transport/concentration of reactants, pH, and the presence of oligomers/additives. The different models proposed to explain the formation of various nano-objects are discussed. Mechanochemical polymerization (MCP) could produce nanofibers or nanospheres by controlling the aniline/oxidant ratio. PANI nanospheres of tunable sizes can also be produced by nanoprecipitation (NPT) of preformed PANI from its solutions using an antisolvent. The geometrical constraints to the small nano-objects made of high-molecular-weight rigid polymers are described. The conditions to produce nanostructures also affect the intrinsic properties of PANI (conductivity, crystallinity, and electroactivity). Selected technological applications of PANI nano-objects manufactured as colloidal dispersions without templates are discussed. Based on the reviewed work and models, future lines of work are proposed.
Change in Diet Quality and Meal Sources during the COVID-19 Pandemic in a Diverse Subset of Men and Women in the Cancer Prevention Study-3
Authors: Um Caroline Y. , Hodge Rebecca A. , McCullough Marjorie L.
Published: February 2023

The COVID-19 pandemic resulted in restrictive measures that caused disruptions in behaviors that may have long-term consequences on diet, health, and chronic disease risk. The aim of this study was to assess longitudinal changes in diet quality from before to during the pandemic among 2335 adult participants (816 males and 1519 females; aged 36–78) of the Cancer Prevention Study-3 cohort. We compared dietary screeners conducted in 2018 and 2020 and calculated a diet quality score, which assigned higher points for recommended foods. Overall diet quality slightly improved among all participants from before to during the pandemic, particularly among males (+0.45 points, p < 0.001), White participants (+0.24 points, p < 0.001), and participants reporting weight loss (+0.66 points, p < 0.001 for 2.25 -< 4.5 kg loss; +1.04 points, p < 0.001 for ≥4.5 kg loss); change in diet quality did not differ by other sociodemographic factors. Reported consumption of most food groups decreased, especially whole grains (−0.17 servings/day, p < 0.001) and vegetables (−0.21 servings/day, p < 0.001), primarily among females, Black participants, and participants who gained ≥2.25 kg. The frequency of meals from outside the home decreased, especially in full-service restaurants (−0.47 times/week, p < 0.001) and for ready-to-eat meals (−0.37 times/week, p < 0.001). Declines in whole grain and vegetable consumption raise concerns for weight gain in these populations and increased risk of poor metabolic health and chronic disease.
Effect of Potassium Supplementation on Endothelial Function: A Systematic Review and Meta-Analysis of Intervention Studies
Authors: D’Elia Lanfranco , Cappuccio Francesco P. , Masulli Maria , La Fata Ersilia , Rendina Domenico , Galletti Ferruccio
Published: February 2023

(1) Background: Endothelial dysfunction is an early predictor of cardiovascular diseases. Although a large body of evidence shows an inverse association between potassium intake and cardiovascular risk, the studies on endothelial function provided contrasting results. Thus, we carried out a systematic review and a meta-analysis of the available intervention studies of the potassium supplementation on endothelial function. (2) Methods: A systematic search of the online databases available (up to December 2022) was conducted including the intervention trials that reported flow-mediated dilation (FMD) changes—a non-invasive method of assessing endothelial function—after two different potassium intake regimens. For each study, the mean difference (MD) and 95% confidence intervals were pooled using a random effect model. (3) Results: Five studies met the pre-defined inclusion criteria and provided eight cohorts with 332 participants. In the pooled analysis, potassium supplementation was associated with a significant increase in FMD (MD: 0.74%), with a higher effect for a urinary potassium excretion higher than 90 mmol/day. There was a moderate heterogeneity among studies (I2 = 59%), explained by the different amount of potassium supplementation. (4) Conclusions: The results of our meta-analysis indicate that dietary potassium supplement improves endothelial function. This effect is directly associated with the amount of potassium supplement. The findings support the campaigns in favour of an increase in dietary potassium intake to reduce cardiovascular risk.
Reproducibility and Validity of a Semi-Quantitative Food Frequency Questionnaire for Children Aged 6–12 in Western China
Authors: Qin Yujie , Deng Hongyang , Lu Mengnan , Cheng Yue , Mi Baibing , Xiao Yanfeng , Zhou Jing
Published: February 2023

The Food Frequency Questionnaire (FFQ) is often used to assess dietary intake in large-scale epidemiological studies. This study aimed to evaluate the reproducibility and validity of the FFQ newly developed for children aged 6 to 12 in western China. A total of 133 children were included in the analysis, and all the children and their caregivers completed the FFQs twice with a three-month interval period, and three 24 h recalls were carried out one month after the first FFQ. We assessed the relative validity and reproducibility using various methods, such as the Spearman correlation coefficient, intra-class correlation coefficient, weighed Kappa, quartile agreement, and Bland–Altman analysis. The Spearman correlation coefficients for food ranged from 0.30 to 0.84, and for nutrients from 0.46 to 0.82 regarding reproducibility. The food intra-class correlation coefficients ranged from 0.20 to 0.85, while nutrients’ ranged from 0.37 to 0.75. In terms of relative validity, the average Spearman correlation coefficients for food were 0.20, and 0.30 for energy and nutrients. The energy-adjusted and de-attenuation coefficients were calculated. Moreover, the average percentage of participants misclassified into the extreme quartile for food and nutrients was 8.0% and 7.0%, respectively. Weighted Kappa values indicated acceptable agreement between the FFQs and 24 h recalls. Furthermore, the percentage of results in the limits of agreement (LOA) were all above 93.0%. In conclusion, The FFQ showed good reproducibility and acceptable relative validity for assessing the dietary intake of children aged 6–12 in western China.
Exploring the Anti-Inflammatory Effect of Inulin by Integrating Transcriptomic and Proteomic Analyses in a Murine Macrophage Cell Model
Authors: Farabegoli Federica , Santaclara Francisco J. , Costas Daniel , Alonso Mercedes , Abril Ana G. , Espiñeira Montserrat , Ortea Ignacio , Costas Celina
Published: February 2023

Inulin is a natural polysaccharide classified as a soluble fiber with demonstrated prebiotic activity. Prebiotics can reduce intestinal and systemic inflammation through modulation of the gut microflora and their metabolites. Additionally, extensive research is illuminating the role of macrophages in the interaction between gut microbiota and many systemic inflammatory diseases. In this study, the anti-inflammatory properties of inulin were evaluated using a murine macrophage cell model (RAW 264.7) of inflammation, and the immunomodulatory mechanism was investigated using omics technologies. The cells underwent comprehensive transcriptomic and proteomic analyses to identify the mechanisms responsible for the observed anti-inflammatory phenotype. Functional analyses of these omics results revealed two potential mechanisms that may lead to an overall reduction in cytokine and chemokine transcription: the inhibition of the NF-κB signaling pathway, leading to the downregulation of proinflammatory factors such as COX2, and the promotion of the phase II defense protein Hmox1 via the Nrf2 pathway. This study provides promising targets for research on immune modulation by dietary fibers and offers new strategies for the design of functional ingredients, foods, and nutraceutical products, which could ultimately lead to personalized nutrition and improved consumer health.
Lifestyle Factors, Genetic Risk, and Cardiovascular Disease Risk among Breast Cancer Survivors: A Prospective Cohort Study in UK Biobank
Authors: Peng Hexiang , Wang Siyue , Wang Mengying , Wang Xueheng , Guo Huangda , Huang Jie , Wu Tao
Published: February 2023

Background: Evidence is limited regarding the association between lifestyles and cardiovascular disease (CVD), and the extent to which healthy lifestyles could offset the genetic risk of CVD in females with breast cancer (BC). Methods: Females diagnosed as BC, who were free of CVD at baseline, from UK Biobank were included. Five modifiable lifestyle factors were considered to calculate the healthy lifestyle score, namely body mass index (BMI), smoking, alcohol drinking, dietary habits, and physical activity. The polygenetic risk score (PRS) was derived for coronary heart disease (CHD), ischemic stroke (IS), and heart failure (HF). Results: In 13,348 female BC survivors, there were 986 CVD events (736 CHD, 165 IS, and 353 HF) over a median of 8.01 years of follow-up. Participants with 4–5 healthy lifestyle components were associated with a decreased risk of incident CVD (HR: 0.50; 95%CI: 0.37, 0.66), CHD (HR: 0.49; 95%CI: 0.35, 0.69), IS (HR: 0.35; 95%CI: 0.19, 0.65), and HF (HR: 0.59; 95%CI: 0.36, 0.97), compared with those with 0–1 lifestyle components. Evidence for the genetic–lifestyle interaction was observed for CHD (p = 0.034) and HF (p = 0.044). Among participants at high genetic risk, a healthy lifestyle was associated with a lower risk of CHD (HR: 0.37; 95%CI: 0.24, 0.56), IS (HR: 0.37; 95%CI: 0.15, 0.93) and HF (HR: 0.39; 95%CI: 0.21, 0.73). Conclusions: Our findings suggest that BC survivors with a high genetic risk could benefit more from adherence to a healthy lifestyle in reducing CVD risk.
The Role of Nutrition in Mitigating the Effects of COVID-19 from Infection through PASC
Authors: Mey Jacob T. , Kirwan John P. , Axelrod Christopher L.
Published: February 2023

The expansive and rapid spread of the SARS-CoV-2 virus has resulted in a global pandemic of COVID-19 infection and disease. Though initially perceived to be acute in nature, many patients report persistent and recurrent symptoms beyond the infectious period. Emerging as a new epidemic, “long-COVID”, or post-acute sequelae of coronavirus disease (PASC), has substantially altered the lives of millions of people globally. Symptoms of both COVID-19 and PASC are individual, but share commonality to established respiratory viruses, which include but are not limited to chest pain, shortness of breath, fatigue, along with adverse metabolic and pulmonary health effects. Nutrition plays a critical role in immune function and metabolic health and thus is implicated in reducing risk or severity of symptoms for both COVID-19 and PASC. However, despite the impact of nutrition on these key physiological functions related to COVID-19 and PASC, the precise role of nutrition in COVID-19 infection and PASC onset or severity remains to be elucidated. This narrative review will discuss established and emerging nutrition approaches that may play a role in COVID-19 and PASC, with references to the established nutrition and clinical practice guidelines that should remain the primary resources for patients and practitioners.
Screening of Schistosomiasis, Strongyloidiasis and Sexually Transmitted Infections in Nigerian Female Sex Workers Living in Rome
Authors: Marrone Rosalia , Mekombi Clarisse Merline , Baraghin Adela , Borecha Bezualem Yigezu , Perandin Francesca , Ragusa Andrea , Ashamole Dorothy Ukegbu , Mirisola Concetta , Diku Mbiye
Published: February 2023

Background: Female Sex Workers (FSWs) are at high risk for acquisition and transmission of sexually transmission infections (STIs). Although several studies investigated the diffusion of STIs in this population, none of them investigated the occurrence of helminth infections in FSW coming from endemic regions. This study aims to assess the prevalence of STIs and helminth infections in a cohort of FSWs. Method: authors conducted a prevalent, observational, and descriptive study on 97 Nigerian FSWs aged 17 to 52 years from January to December 2020. Results: a total of 97 FSWs were recruited. Of these, only 82 had completed screening for hepatitis B, C, syphilis, and HIV, while all 97 were screened for schistosomiasis and strongyloidiasis. The prevalence of STIs among FSWs in Rome was lower than in other European countries. The overall prevalence of HIV and HBsAg were 1.2%, (1/82) and 2.4% (2/82), respectively, while no case of hepatitis C and syphilis was found. Regarding parasitological screening, the overall prevalence of schistosoma species was 4.1% (4/97) while 5.15% (5/97) were positive for strongyloidiasis. Conclusions: our study shows a low prevalence of STIs in Nigerian FSWs except for Hepatitis B and a higher prevalence of schistosomiasis and strongyloidiasis. The permanent monitoring of STI and parasitic infections in sex workers coming from Africa is strongly warranted, especially for hepatitis B, schistosomiasis and strongyloidiasis, to allow a timely diagnosis and treatment, and to plan preventive strategies.
Patterns of Cannabis- and Substance-Related Congenital General Anomalies in Europe: A Geospatiotemporal and Causal Inferential Study
Authors: Reece Albert Stuart , Hulse Gary Kenneth
Published: February 2023

Introduction: Recent series of congenital anomaly (CA) rates (CARs) have showed the close and epidemiologically causal relationship of cannabis exposure to many CARs. We investigated these trends in Europe where similar trends have occurred. Methods: CARs from EUROCAT. Drug use from European Monitoring Centre for Drugs and Drug Addiction. Income data from World Bank. Results: CARs were higher in countries with increasing daily use overall (p = 9.99 × 10−14, minimum E-value (mEV) = 2.09) and especially for maternal infections, situs inversus, teratogenic syndromes and VACTERL syndrome (p = 1.49 × 10−15, mEV = 3.04). In inverse probability weighted panel regression models the series of anomalies: all anomalies, VACTERL, foetal alcohol syndrome, situs inversus (SI), lateralization (L), and teratogenic syndromes (TS; AAVFASSILTS) had cannabis metric p-values from: p < 2.2 × 10−16, 1.52 × 10−12, 1.44 × 10−13, 1.88 × 10−7, 7.39 × 10−6 and <2.2 × 10−16. In a series of spatiotemporal models this anomaly series had cannabis metric p-values from: 8.96 × 10−6, 6.56 × 10−6, 0.0004, 0.0019, 0.0006, 5.65 × 10−5. Considering E-values, the cannabis effect size order was VACTERL > situs inversus > teratogenic syndromes > FAS > lateralization syndromes > all anomalies. 50/64 (78.1%) E-value estimates and 42/64 (65.6%) mEVs > 9. Daily cannabis use was the strongest predictor for all anomalies. Conclusion: Data confirmed laboratory, preclinical and recent epidemiological studies from Canada, Australia, Hawaii, Colorado and USA for teratological links between cannabis exposure and AAVFASSILTS anomalies, fulfilled epidemiological criteria for causality and underscored importance of cannabis teratogenicity. VACTERL data are consistent with causation via cannabis-induced Sonic Hedgehog inhibition. TS data suggest cannabinoid contribution. SI&L data are consistent with results for cardiovascular CAs. Overall, these data show that cannabis is linked across space and time and in a manner which fulfills epidemiological criteria for causality not only with many CAs, but with several multiorgan teratologic syndromes. The major clinical implication of these results is that access to cannabinoids should be tightly restricted in the interests of safeguarding the community’s genetic heritage to protect and preserve coming generations, as is done for all other major genotoxins.