bluuebunny/crossref_metadata_2025 huggingface dataset:
Microstructure Evolution and Tensile Properties of Medium Manganese Steel Heat Treated by Two-Step Annealing
Authors: Kang Tao , Zhan Zhanyu , Wang Changcheng , Zhao Zhengzhi , Liang Juhua , Yao Lele
Published: September 2024

In this paper, the nucleation and growth of austenite are controlled through a two-step annealing process to achieve multi-scale distribution and content increase of retained austenite in low manganese series medium-Mn steel. Combining SEM, EBSD, AES, and other experimental equipment, the evolution rules of the microstructure, properties, and element distribution behavior of the test steel during the annealing process are studied. Compared with one-step annealing, the two-step annealing significantly broadens the size distribution range of retained austenite. In the first step, after annealing at a higher intercritical temperature (760 °C), the ferrite and the M/A island are obtained, completing the initial partition of Mn and the refinement of microstructures. During the second step of annealing (720 °C), the primary Mn-rich martensite region provides higher nucleation driving force and finer dispersed nucleation sites, promoting the nucleation and growth of reverse transformation austenite. At the same time, the metastable-retained austenite formed after the first step of annealing continues to grow through interface movement. Furthermore, a high proportion (23.4%) of retained austenite with multi-scale distribution is formed in the final microstructure, and the product of strength and elongation increased from 21.8 GPa·% by the one-step annealing process to 30.1 GPa·%.
Operational Characteristics of AlGaN/GaN High-Electron-Mobility Transistors with Various Dielectric Passivation Structures for High-Power and High-Frequency Operations: A Simulation Study
Authors: Kim Ji-Hun , Lim Chae-Yun , Lee Jae-Hun , Choi Jun-Hyeok , Min Byoung-Gue , Kang Dong Min , Kim Hyun-Seok
Published: September 2024

This study investigates the operational characteristics of AlGaN/GaN high-electron-mobility transistors (HEMTs) by employing various passivation materials with different dielectric constants and passivation structures. To ensure the simulation reliability, the parameters were calibrated based on the measured data from the fabricated basic Si3N4 passivation structure of the HEMT. The Si3N4 passivation material was replaced with high-k materials, such as Al2O3 and HfO2, to improve the breakdown voltage. The Al2O3 and HfO2 passivation structures achieved breakdown voltage improvements of 6.62% and 17.45%, respectively, compared to the basic Si3N4 passivation structure. However, the increased parasitic capacitances reduced the cut-off frequency. To mitigate this reduction, the operational characteristics of hybrid and partial passivation structures were analyzed. Compared with the HfO2 passivation structure, the HfO2 partial passivation structure exhibited a 7.6% reduction in breakdown voltage but a substantial 82.76% increase in cut-off frequency. In addition, the HfO2 partial passivation structure exhibited the highest Johnson’s figure of merit. Consequently, considering the trade-off relationship between breakdown voltage and frequency characteristics, the HfO2 partial passivation structure emerged as a promising candidate for high-power and high-frequency AlGaN/GaN HEMT applications.
Modeling and Analysis of Wide Frequency Band Coaxial TSV Transmission Interconnect
Authors: Zhang Yujie , Zhi Changle , Dong Gang
Published: September 2024

In this paper, we first build the 3D model of coaxial TSV(CTSV), RDL, and bump of the CTSV interconnect, and extract the equivalent circuit model of each part. Then, we get the S-parameters of the 3D and equivalent circuit model of the CTSV interconnect structure; the validity of the equivalent circuit model is verified by comparing the consistency of the S-parameters. The simulation results show that the maximum errors for the S11 and S21 parameters are 0.4% and 0.18%, respectively, which proves the validity of the equivalent circuit modeling in this paper. Finally, parametric analysis is performed to investigate the effect of different model parameters on the signal-transmission characteristics of the CTSV interconnect.
Dissolution Mechanisms and Surface Charge of Clay Mineral Nanoparticles: Insights from Kinetic Monte Carlo Simulations
Authors: Kurganskaya Inna
Published: September 2024

The widespread use of clay minerals and clays in environmental engineering, industry, medicine, and cosmetics largely stems from their adsorption properties and surface charge, as well as their ability to react with water. The dissolution and growth of minerals as a function of pH are closely related to acid–base reactions at their surface sites and their surface charge. The vivid tapestry of different types of surface sites across different types of clay minerals generates difficulties in experimental studies of structure–property relationships. The aim of this paper is to demonstrate how a mesoscale stochastic kinetic Monte Carlo (kMC) approach altogether with atomistic acid-base models and empirical data can be used for understanding the mechanisms of dissolution and surface charge behavior of clay minerals. The surface charge is modeled based on equilibrium equations for de/protonated site populations, which are defined by the pH and site-specific acidity constants (pKas). Lowered activation energy barriers for these sites in de/protonated states introduce pH-dependent effects into the dissolution kinetics. The V-shaped curve observed in laboratory experiments is reproduced with the new kMC model. A generic rate law for clay mineral dissolution as a function of pH is derived from this study. Thus, the kMC approach can be used as a hypothesis-testing tool for the verification of acid–base models for clay and other minerals and their influence on the kinetics of mineral dissolution and growth.
Antibacterial Activity of Novel Agent N-2-Hydroxypropyl Trimethyl Ammonium Chloride Chitosan against Streptococcus mutans
Authors: Gao Yuan , Gong Xiaochen , Ruan Qicheng , Zhang Chunjing , Zhao Kai
Published: September 2024

Dental caries (DC) is one of the most common oral diseases and is mainly caused by Streptococcus mutans (S. mutans). The use of antibiotics against S. mutans usually has side effects, including developing resistance. N-2-Hydroxypropyl trimethyl ammonium chloride chitosan (N-2-HACC), a natural product, has great potential utility in antibacterial agents owing to its low toxicity and good biocompatibility. Thus, the purpose of the present study was to explore the antimicrobial activity of N-2-HACC against S. mutans through the permeability of the cell wall, integrity of cell membrane, protein and nucleic acid synthesis, respiratory metabolism, and biofilm formation. Our results confirmed that the MIC of N-2-HACC against S. mutans was 0.625 mg/mL with a 90.01 ± 1.54% inhibition rate. SEM observed the formation of cavities on the surface of S. mutans after 12 h N-2-HACC treatment. The level of alkaline phosphatase (AKP) activity was higher in the N-2-HACC treatment group than in the control group, indicating that N-2-HACC can improve the permeability of the cell wall. Also, N-2-HACC treatment can destroy the cell membrane of S. mutans by increasing conductivity and absorbance at 260 nm, decreasing cell metabolic activity, and enhancing the fluorescence at 488 nm. Respiratory metabolism revealed that the activities of the Na+-K+-ATP enzyme, pyruvate kinase (PK), succinate dehydrogenase (SDH), and malate dehydrogenase (MDH) were decreased after N-2-HACC treatment, revealing that N-2-HACC can inhibit glycolysis and the tricarboxylic acid cycle (TCA cycle) of S. mutans. Moreover, N-2-HACC can also decrease the contents of the nucleic acid and solution protein of S. mutans, interfere with biofilm formation, and decrease the mRNA expression level of biofilm formation-related genes. Therefore, these results verify that N-2-HACC has strong antibacterial activity against S. mutans, acting via cell membrane integrity damage, increasing the permeability of cell walls, interfering with bacterial protein and nucleic acid synthesis, perturbing glycolysis and the TCA cycle, and inhibiting biofilm formation. It is suggested that N-2-HACC may represent a new potential synthetically modified antibacterial material against S. mutans.
Effects of Trimethylamine N-Oxide in Improving Exercise Performance in Mice: A 1H-NMR-Based Metabolomic Analysis Approach
Authors: Zou Hong , Gong Lijing , Wang Zhiyuan , Huang Caihua , Luo Yue , Jia Xiao , Yu Jingjing , Lin Donghai , Zhang Yimin
Published: September 2024

To improve exercise performance, the supplement of nutrients has become a common practice before prolonged exercise. Trimethylamine N-oxide (TMAO) has been shown to ameliorate oxidative stress damage, which may be beneficial in improving exercise capacity. Here, we assessed the effects of TMAO on mice with exhaustive swimming, analyzed the metabolic changes, and identified significantly altered metabolic pathways of skeletal muscle using a nuclear magnetic resonance-based (NMR-based) metabolomics approach to uncover the effects of TMAO improving exercise performance of mice. We found that TMAO pre-administration markedly prolonged the exhaustive time in mice. Further investigation showed that TMAO pre-administration increased levels of 3-hydroxybutyrate, isocitrate, anserine, TMA, taurine, glycine, and glutathione and disturbed the three metabolic pathways related to oxidative stress and protein synthesis in skeletal muscle. Our results provide a metabolic mechanistic understanding of the effects of TMAO supplements on the exercise performance of skeletal muscle in mice. This work may be beneficial in exploring the potential of TMAO to be applied in nutritional supplementation to improve exercise performance. This work will lay a scientific foundation and be beneficial to exploring the potential of TMAO to apply in nutritional supplementation.
Exploring and Re-Assessing Reverse Anomeric Effect in 2-Iminoaldoses Derived from Mono- and Polynuclear Aromatic Aldehydes
Authors: Pérez Esther M. S. , Matamoros Esther , Cintas Pedro , Palacios Juan C.
Published: September 2024

A curious and noticeable structural feature in Schiff bases from 2-aminoaldoses is the fact that imino tautomers arranged equatorially in the most stable ring conformation exhibit a counterintuitive reverse anomeric effect (RAE) in the mutarotational equilibrium, i.e., the most stable and abundant anomer is the equatorial one (β). As shown by our very recent research, this effect arises from the total or partial inhibition of the exo-anomeric effect due to the presence of an intramolecular hydrogen bond between the anomeric hydroxyl and the iminic nitrogen in the axial anomer (α). When the Schiff base adopts either an enamine structure or the imino group is protonated, the exo-anomeric effect is restored, and the axial α-anomer becomes the most stable species. Although the intramolecular H-bonding should appropriately be interpreted as a genuine stereoelectronic effect, the magnitude of the RAE could be affected by other structural parameters. Herein and through a comprehensive analysis of benzylidene, cinnamylidene, naphthalene, phenanthrene, and anthracene aldehydes, we show the robustness of the RAE effect, which is similar in extent to simple aldehydes screened so far, irrespective of the size and/or hydrophobicity of the substituent at the nitrogen atom.
Ionic Liquids toward Enhanced Carotenoid Extraction from Bacterial Biomass
Authors: Silva Tiago P. , Alves Luís , Salgado Francisco , Roseiro José C. , Łukasik Rafał M. , Paixão Susana M.
Published: September 2024

Carotenoids are high added-value products primarily known for their intense coloration and high antioxidant activity. They can be extracted from a variety of natural sources, such as plants, animals, microalgae, yeasts, and bacteria. Gordonia alkanivorans strain 1B is a bacterium recognized as a hyper-pigment producer. However, due to its adaptations to its natural habitat, hydrocarbon-contaminated soils, strain 1B is resistant to different organic solvents, making carotenoid extraction through conventional methods more laborious and inefficient. Ionic liquids (ILs) have been abundantly shown to increase carotenoid extraction in plants, microalgae, and yeast; however, there is limited information regarding bacterial carotenoid extraction, especially for the Gordonia genus. Therefore, the main goal of this study was to evaluate the potential of ILs to mediate bacterial carotenoid extraction and develop a method to achieve higher yields with fewer pre-processing steps. In this context, an initial screening was performed with biomass of strain 1B and nineteen different ILs in various conditions, revealing that tributyl(ethyl)phosphonium diethyl phosphate (IL#18), combined with ethyl acetate (EAc) as a co-solvent, presented the highest level of carotenoid extraction. Afterward, to better understand the process and optimize the extraction results, two experimental designs were performed, varying the amounts of IL#18 and EAc used. These allowed the establishment of 50 µL of IL#18 with 1125 µL of EAc, for 400 µL of biomass (cell suspension with about 36 g/L), as the ideal conditions to achieve maximal carotenoid extraction. Compared to the conventional extraction method using DMSO, this novel procedure eliminates the need for biomass drying, reduces extraction temperatures from 50 °C to 22 ± 2 °C, and increases carotenoid extraction by 264%, allowing a near-complete recovery of carotenoids contained in the biomass. These results highlight the great potential of ILs for bacterial carotenoid extraction, increasing the process efficiency, while potentially reducing energy consumption, related costs, and emissions.
Desulfonylative Functionalization of Organosulfones via Inert (Hetero)Aryl C(sp2)–SO2 Bond Cleavage
Authors: Huang Rui , Gu Boning , Wang Ming , Zhao Yinsong , Jiang Xuefeng
Published: September 2024

As “chemical chameleons,” organosulfones have been widely applied in various desulfonylative functionalization reactions. However, the desulfonylative functionalization of (hetero)arylsulfones through the cleavage of inert C(sp2)–SO2 bonds remains a challenging and underexplored task. Over the past twenty years, the use of (hetero)arylsulfones as arylation reagents has gradually gained attention in diverse cross-coupling reactions under specific catalytic conditions, especially in transition metal-catalysis and photocatalysis chemistry. In this review, we discuss the representative accomplishments and mechanistic insights achieved in desulfonylative reactions of inactive C(sp2)–SO2 bonds in (hetero)arylsulfones, including: (i) transition-metal-catalyzed desulfonylative cross-coupling reactions and (ii) photo-/electrocatalytic radical desulfonylative coupling reactions. We anticipate that this review will provide an overall perspective in this area to a general audience of researchers and stimulate further innovative strategies for desulfonylative functionalization of inert arylsulfones.
Probing the Effect of Alloying Elements on the Interfacial Segregation Behavior and Electronic Properties of Mg/Ti Interface via First-Principles Calculations
Authors: Zhou Yunxuan , Lv Hao , Chen Tao , Tong Shijun , Zhang Yulin , Wang Bin , Tan Jun , Chen Xianhua , Pan Fusheng
Published: September 2024

The interface connects the reinforced phase and the matrix of materials, with its microstructure and interfacial configurations directly impacting the overall performance of composites. In this study, utilizing seven atomic layers of Mg(0001) and Ti(0001) surface slab models, four different Mg(0001)/Ti(0001) interfaces with varying atomic stacking configurations were constructed. The calculated interface adhesion energy and electronic bonding information of the Mg(0001)/Ti(0001) interface reveal that the HCP2 interface configuration exhibits the best stability. Moreover, Si, Ca, Sc, V, Cr, Mn, Fe, Cu, Zn, Y, Zr, Nb, Mo, Sn, La, Ce, Nd, and Gd elements are introduced into the Mg/Ti interface layer or interfacial sublayer of the HCP2 configurations, and their interfacial segregation behavior is investigated systematically. The results indicate that Gd atom doping in the Mg(0001)/Ti(0001) interface exhibits the smallest heat of segregation, with a value of −5.83 eV. However, Ca and La atom doping in the Mg(0001)/Ti(0001) interface show larger heat of segregation, with values of 0.84 and 0.63 eV, respectively. This implies that the Gd atom exhibits a higher propensity to segregate at the interface, whereas the Ca and La atoms are less inclined to segregate. Moreover, the electronic density is thoroughly analyzed to elucidate the interfacial segregation behavior. The research findings presented in this paper offer valuable guidance and insights for designing the composition of magnesium-based composites.
Deep-Cavity Calix[4]naphth[4]arene Macrocycles: Synthesis, Conformational Features, and Solid-State Structures
Authors: Della Sala Paolo , Iuliano Veronica , De Rosa Margherita , Talotta Carmen , Del Regno Rocco , Neri Placido , Geremia Silvano , Hickey Neal , Gaeta Carmine
Published: September 2024

We recently introduced calix[n]naphth[m]arenes as a novel class of deep-cavity hybrid macrocycles constituted by phenol (n) and naphthalene (m) units. In this study, we report the synthesis, conformational analysis, spectroscopic properties, and solid-state structures of calix[4]naphth[4]arene (C4N4) and its permethylated analog (C4N4-Me), thereby expanding the calix[n]naphth[m]arene family. C4N4 was synthesized through a 2 + 2 fragment coupling macrocyclization under acidic conditions, where the solvent played a crucial role in selectively forming the C4N4 derivative. The X-ray structure of C4N4 reveals a chair-like 1,2,3,4-alternate conformation characterized by two opposing 3/4-cone moieties stabilized by intramolecular hydrogen bonds. In contrast, the X-ray structure of C4N4-Me exhibits a 1,3,5,7-alternate conformation.
Phytochemicals, Two New Sulphur Glycosides and Two New Natural Products, from Shepherd’s Purse Seed and Their Activities
Authors: Wei Zhen-Zhen , Ge Chun-Bo , Wang Yu-Jie , Li Bin , Tian Ying , Zhou Ti-Qiang , Liu Shu-Chen , Yi Jian-Feng
Published: September 2024

Two new sulfur glycosides, bursapastoris A–B (3–4), were extracted and isolated from shepherd’s purse seed, along with two new natural products, 11-(methylsulfinyl)undecanoic acid (2) and 10-(methylsulfinyl)decanoic acid (1). Their structures were determined though infrared spectroscopy, one-dimensional nuclear magnetic resonance (1H and 13C), and electrospray ionization mass spectrometry. Additionally, the structures of 3–4 were further identified by two-dimensional nuclear magnetic resonance (HMBC, HSQC, 1H-1H COSY, and NOESY). Compounds 1–4 showed relatively favorable docking to NF-κB. Unfortunately, we only discovered that compound 1–4 had weak anti-radiation activity at present. Therefore, further research regarding the biological activity of these organosulfur compounds is required at a later stage.
Design, Synthesis, and Acaricidal Activity of 2,5-Diphenyl-1,3-oxazoline Compounds
Authors: Chen Yuming , Tian Jiarui , Tan Yuhao , Liu Yuxiu , Wang Qingmin
Published: September 2024

By using a scaffold hopping/ring equivalent and intermediate derivatization strategies, a series of compounds of 2,5-diphenyl-1,3-oxazoline with substituent changes at the 5-phenyl position were prepared, and their acaricidal activity was studied. However, the synthesized 2,5-diphenyl-1,3-oxazolines showed lower activity against mite eggs and larvae compared to the 2,4-diphenyl-1,3-oxazolines with the same substituents. We speculate that there is a significant difference in the spatial extension direction of the substituents between the two skeletons of compounds, resulting in differences in their ability to bind to the potential target chitin synthase 1. This work is helpful in inferring the internal structure of chitin synthase binding pockets.
The Effect of the Extraction Conditions on the Antioxidant Activity and Bioactive Compounds Content in Ethanolic Extracts of Scutellaria baicalensis Root
Authors: Dzięcioł Małgorzata , Wala Klaudia , Wróblewska Agnieszka , Janda-Milczarek Katarzyna
Published: September 2024

Ethanolic extracts of Baikal skullcap (Scutellaria baicalensis) root were obtained using various techniques, such as maceration, maceration with shaking, ultrasound-assisted extraction, reflux extraction, and Soxhlet extraction. The influence of the type and time of isolation technique on the extraction process was studied, and the quality of the obtained extracts was determined by spectrophotometric and chromatographic methods to find the optimal extraction conditions. Radical scavenging activity of the extracts was analyzed using DPPH assay, while total phenolic content (TPC) was analyzed by the method with the Folin–Ciocalteu reagent. Application of gas chromatography with mass selective detector (GC-MS) enabled the identification of some bioactive substances and a comparison of the composition of the particular extracts. The Baikal skullcap root extracts characterized by both the highest antioxidant activity and content of phenolic compounds were obtained in 2 h of reflux and Soxhlet extraction. The main biologically active compounds identified in extracts by the GC-MS method were wogonin and oroxylin A, known for their broad spectrum of biological effects, including antioxidant, anti-inflammatory, antiviral, anticancer, and others.
Study on the Bioactive Constituent and Mineral Elements of the Tibetan Medicine E’seguo from Different Regions of Ganzi Prefecture, China
Authors: Jiang Menglian , Fan Heling , Chen Yixuan , Zou Yulin , Cai Xiaoyang , Wang Haohan , Li Min
Published: September 2024

The Tibetan medicinal fruit E’seguo originates from two species, Malus toringoides (Rehd.) Hughes and Malus transitoria (Batal.) Schneid, both unique to the Hengduan Mountains. These species are predominantly found in high-altitude regions of Ganzi Prefecture, Sichuan Province, particularly in the Xianshui River and Yalong River basins. Malus toringoides (Rehd.) Hughes is far more abundant in both resource quantity and distribution compared to Malus transitoria (Batal.) Schneid. However, the nutritional and medicinal differences between the two remain unclear, which significantly impacts the development and utilization of E’seguo resources. This study aimed to measure the mineral content, nutritional components, and medicinal properties of E’seguo from 12 different regions of Ganzi Prefecture to explore the quality differences between these two species and across different regions. ICP-MS (Inductively Coupled Plasma Mass Spectrometry) was used to determine the mineral content, ultraviolet-visible spectrophotometry and potentiometric titration to analyze nutritional indicators, and HPLC (High-Performance Liquid Chromatography) to measure the medicinal components L-malic acid and 2-O-β-D-glucopyranosyl-L-ascorbic acid (AA-2βG). Results indicate that Malus transitoria (Batal.) Schneid contains higher levels of K, Ca, Zn, Mg, and Cu compared to Malus toringoides (Rehd.) Hughes, which has higher Fe and Mn content. Malus toringoides (Rehd.) Hughes from the Kangding and Litang regions showed the highest mineral content, with mineral elements primarily influencing polysaccharide levels, according to Mantel analysis. Nutritional and medicinal analyses revealed that Malus toringoides (Rehd.) Hughes outperformed Malus transitoria (Batal.) Schneid in all metrics except for the sugar-acid ratio. Given the mineral content and taste, Malus transitoria (Batal.) Schneid is better suited for consumption, while Malus toringoides (Rehd.) Hughes has superior medicinal properties, making it more appropriate for medicinal use. In the Malus transitoria (Batal.) Schneid regions, both Luhuo and Daofu are in the Xianshui River basin, with Daofu County producing the higher quality fruit. Among the nine Malus toringoides (Rehd.) Hughes regions, the M10 (Tuoba Township, Ganzi County) near the Yalong River had the highest overall score, followed by M7 (Yade Township, Luhuo County) and M6 (Keke, Xiala Tuo Town, Luhuo County), both of which are near the Xianshui River. In summary, Malus transitoria (Batal.) Schneid generally has higher mineral content, but Malus toringoides (Rehd.) Hughes has larger fruit and higher medicinal value, making the latter more suitable as a medicinal resource. At the same time, the medicinal quality of Xianshui River fruit was higher in the two watersheds of Malus toringoides (Rehd.) Hughes.
Organic Heterostructures with Dendrimer Based Mixed Layer for Electronic Applications
Authors: Rasoga Oana , Yonkeu Anne Lutgarde Djoumessi , Breazu Carmen , Socol Marcela , Preda Nicoleta , Stanculescu Florin , Stanculescu Anca , Iwuoha Emmanuel
Published: September 2024

Recently, much research has focused on the search for new mixed donor–acceptor layers for applications in organic electronics. Organic heterostructures with layers based on the generation 1 poly(propylene thiophenoimine) (G1PPT) dendrimer, N,N′-diisopropylnaphthalene diimide (MNDI), and a combination of the two were prepared and their electrical properties were investigated. Single layers of G1PPT and MNDI and a mixed layer (G1PPT:MNDI) were obtained via spin coating on quartz glass, silicon, and glass/ITO substrates, using chloroform as a solvent. The absorption mechanism was investigated, the degree of disorder was estimated, and the emission properties of the layers were highlighted using spectroscopic methods (UV–Vis transmission and photoluminescence). The effects of the concentration and surface topographical particularities on the properties of the layers were analyzed via atomic force microscopy. All of the heterostructures realized with ITO and Au electrodes showed good conduction, with currents of the order of mA. Additionally, the heterostructure with a mixed layer exhibited asymmetry in the current–voltage curve between forward and reverse polarization in the lower range of the applied voltages, which was more significant at increased concentrations and could be correlated with rectifier diode behavior. Consequently, the mixed-layer generation 1 poly(propylene thiophenoimine) dendrimer with N,N′-diisopropylnaphthalene diimide can be considered promising for electronic applications.
Novel Insights into the Biological Activity of Croton lechleri Twigs Extracts and Advancements in Their Sustainable Recovery
Authors: Tzintzarov Alexander , Boyadzhieva Stanislava S. , Coelho Jose A. P. , Tsvetanova Flora , Petrova Maria , Stoev Georgi , Yankov Dragomir S. , Ugrinova Iva , Stateva Roumiana P.
Published: September 2024

Sangre de drago, the sap of Croton lechleri Müll. Arg. tree, has been used for centuries in traditional medicine owing to its diverse biological activities. Extracts derived from different parts of the species contain a multitude of phytochemicals with varied applications. Twigs, however, are among the least studied parts of the plant. This study unveils new biological activities of Croton lechleri twig extracts recovered by applying Soxhlet and advanced green techniques. For all extracts, total phenolic content and antioxidant activity were determined. Subsequently, four were selected, and their cytotoxic effects were assessed on both normal (HaCat) and malignant melanoma (A375) skin cell lines using the MTT assay and trypan blue exclusion assay. All showed dose-dependent cytotoxicity, with the Soxhlet ethanol extract demonstrating the highest selectivity towards A375 cells over HaCat cells. The extracts induced apoptosis and necrosis, as confirmed by Annexin V/PI dual-labeling and flow cytometry, highlighting their ability to trigger programmed cell death in cancer cells. The selective inhibition of cell cycle progression in A375 compared to HaCat observed both for Soxhlet ethanol and pressurized ethanol extracts induces cell cycle arrest at multiple points, primarily in the G1 and G2/M phases, and significantly reduces DNA synthesis as evidenced by the decrease in the S-phase population, confirmed by the EdU assay. Consequently, the Soxhlet extract composition was analyzed using LC-MS, which revealed their richness in polyphenolic compounds, particularly flavonoids from the flavonol subclass.
Dietary Pattern’s Role in Hepatic Epigenetic and Dietary Recommendations for the Prevention of NAFLD
Authors: Martín Barraza Josefina I. , Bars-Cortina David
Published: September 2024

NAFLD has emerged as a significant public health concern, with its prevalence increasing globally. Emphasizing the complex relationship between dietary patterns and epigenetic modifications such as DNA methylation or miRNA expression can exert a positive impact on preventing and managing metabolic disorders, including NAFLD, within the 2030 Sustainable Development Goals. This review aims to evaluate the influence of dietary patterns on hepatic epigenetic gene modulation and provide dietary recommendations for the prevention and management of NAFLD in the general population. Methods: Comprehensive screening and eligibility criteria identified eleven articles focusing on epigenetic changes in NAFLD patients through dietary modifications or nutrient supplementation. Results and Discussion: Data were organized based on study types, categorizing them into evaluations of epigenetic changes in NAFLD patients through dietary pattern modifications or specific nutrient intake. Conclusions: The study highlights the importance of dietary interventions in managing and preventing NAFLD, emphasizing the potential of dietary patterns to influence hepatic epigenetic gene modulation. This study provides valuable insights and recommendations to mitigate the risk of developing NAFLD: (i) eat a primarily plant-based diet; (ii) increase consumption of high-fiber foods; (iii) consume more polyunsaturated and monounsaturated fatty acids; (iv) limit processed foods, soft drinks, added sugars, and salt; and (v) avoid alcohol.
Correlation of Co-Morbidities with Symptom Severity of Children with Autism Spectrum Disorder: A Cross-Sectional Survey
Authors: Zou Mingyang , Zhang Yilin , Li Dexin , Li Shengqi , Hu Jingyi , Gao Ya , Cheng Zeyu , Liu Shidan , Wu Lijie , Sun Caihong
Published: September 2024

This study aims to identify potential correlations of the severity of symptoms of children with autism spectrum disorder (ASD) with serum nutritional levels, body composition indicators, diet partiality, and sleep disturbances. The cohort of this cross-sectional study included 120 children with ASD and 110 typically developing (TD) children to assess symptoms of ASD, and to measure serum levels of vitamins and minerals and the body composition values. Diet partiality and sleep disturbances were assessed by administering questionnaires. The serum levels of folic acid, copper, and vitamin B were lower in children with ASD than in TD children, while magnesium and homocysteine were higher (p < 0.05). Children with ASD had greater chest circumference, abdominal skinfold thickness, and body mass index (BMI) than TD children (p < 0.05), and higher prevalences of diet partiality and sleep disturbances (p < 0.001). Lower vitamin A levels and higher vitamin D levels were related to social impairment in children with ASD. Moreover, there were significantly positive correlations of BMI, chest circumference, diet partiality, and sleep disturbances with severity of ASD symptoms (p < 0.05). Collectively, rational nutritional supplementation, dietary management, and behavioral interventions are essential for children with ASD.
Food Neophobia in Children: A Case Study in Federal District/Brazil
Authors: De Almeida Priscila Claudino , Nakano Eduardo Yoshio , Vasconcelos Ivana Aragão Lira , Zandonadi Renata Puppin , Raposo António , Saraiva Ariana , Alturki Hmidan A. , Botelho Raquel Braz Assunção
Published: September 2024

A reluctance to eat and/or avoidance of novel foods is characterized as food neophobia (FN). FN restricts the diet to familiar foods when, in fact, it should be much more varied. FN can be a barrier to healthy foods, affecting the quality of diet, and impairing children’s growth and development. Therefore, according to their caregivers’ perceptions, this study aimed to evaluate FN in children from Federal District/Brazil. The Brazilian Children’s Food Neophobia Questionnaire (BCFNeo), a specific instrument developed and validated in Brazil, was answered by caregivers of children aged 4 to 11 y/o. Sampling occurred through snowball recruitment, being convenient and non-probabilistic. The Health Sciences Ethics Committee approved the study. The analysis evaluated FN in total (BCFNeoTot) and in the following domains: general (FNgen), for fruits (FNfru), and for vegetables (FNveg). FN scores were compared between sex and child’s age and categorized according to three ordinal levels. FN levels were compared using the Mann–Whitney U test. The Friedman test, followed by the Wilcoxon test with Bonferroni correction, was performed to analyze differences in FN according to the environment. Of the caregivers’ answers for their children, 595 answers were included, because 19 were out of age. The prevalence of high FN was 42.9%. The domain with the highest prevalence of high FN was vegetables (48.6%). Children aged 8 to 11 y/o had a higher mean FN in two domains (FNgen p = 0.047 and FNveg p = 0.038) when compared to children aged 4 to 7 y/o. Boys were more neophobic in all domains (FNgen p = 0.017; FNfru p = 0.010; FNveg p = 0.013; BCFNeoTot p = 0.008), and FN tends not to decrease with age. The results showed that the children of the FD are more neophobic than Brazilian children in general, highlighting the importance of additional studies in FN determinants in this population and nutritional education interventions to reduce FN among FD children.
Identification of Sweetness Preference-Related Single-Nucleotide Polymorphisms for Polygenic Risk Scores Associated with Obesity
Authors: Bae Ji Hyun , Kang Hyunju
Published: September 2024

Our study aimed to identify sweetness preference-associated single-nucleotide polymorphisms (SNPs), characterize the related genetic loci, and develop SNP-based polygenic risk scores (PRS) to analyze their associations with obesity. For genotyping, we utilized a pooled genome-wide association study (GWAS) dataset of 18,499 females and 10,878 males. We conducted genome-wide association analyses, functional annotation, and employed the weighted method to calculate the levels of PRS from 677 sweetness preference-related SNPs. We used Cox proportional hazards modeling with time-varying covariates to estimate age-adjusted and multivariable hazard ratios (HRs) and 95% confidence intervals (CIs) for obesity incidence. We also tested the correlation between PRS and environmental factors, including smoking and dietary components, on obesity. Our results showed that in males, the TT genotype of rs4861982 significantly increased obesity risk compared to the GG genotype in the Health Professionals Follow-up Study (HPFS) cohort (HR = 1.565; 95% CI, 1.122–2.184; p = 0.008) and in the pooled analysis (HR = 1.259; 95% CI, 1.030–1.540; p = 0.025). Protein tyrosine phosphatase receptor type O (PTPRO) was identified as strongly associated with sweetness preference, indicating a positive correlation between sweetness preference and obesity risk. Moreover, each 10 pack-year increment in smoking was significantly associated with an increased risk of obesity in the HPFS cohort (HR = 1.024; 95% CI, 1.000–1.048) in males but not in females. In conclusion, significant associations between rs4861982, sweetness preference, and obesity were identified, particularly among males, where environmental factors like smoking are also correlated with obesity risk.
The Impact of Climate on Human Dengue Infections in the Caribbean
Authors: Douglas Kirk Osmond , Payne Karl , Sabino-Santos Gilberto , Chami Peter , Lorde Troy
Published: September 2024

Climate change is no longer a hypothetical problem in the Caribbean but a new reality to which regional public health systems must adapt. One of its significant impacts is the increased transmission of infectious diseases, such as dengue fever, which is endemic in the region, and the presence of the Aedes aegypti mosquito vector responsible for transmitting the disease. (1) Methods: To assess the association between climatic factors and human dengue virus infections in the Caribbean, we conducted a systematic review of published studies on MEDLINE and Web of Science databases according to Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) criteria. (2) Results: In total, 153 papers were identified, with 27 studies selected that met the inclusion criteria ranging from the northern and southern Caribbean. Rainfall/precipitation and vapor pressure had a strong positive association with dengue incidence, whereas the evidence for the impact of temperatures was mixed. (3) Conclusions: The interaction between climate and human dengue disease in the Caribbean is complex and influenced by multiple factors, including waste management, infrastructure risks, land use changes, and challenged public health systems. Thus, more detailed research is necessary to understand the complexity of dengue within the wider Caribbean and achieve better dengue disease management.
Photoantimicrobial and Photoantiviral Textiles: Underestimated Potential
Authors: Efimov Alexander , Mordon Serge
Published: September 2024

In this review, we summarize the present state of a rapidly developing field of light-activated antimicrobial textiles and their underestimated potential and opportunities.
Advancing Antibiotic-Resistant Microbe Combat: Nanocarrier-Based Systems in Combination Therapy Targeting Quorum Sensing
Authors: Rajkhowa Sanchaita , Hussain Safrina Zeenat , Agarwal Manisha , Zaheen Alaiha , Al-Hussain Sami A. , Zaki Magdi E. A.
Published: September 2024

The increase in antibiotic-resistant bacteria presents a significant risk to worldwide public health, emphasizing the necessity of novel approaches to address infections. Quorum sensing, an essential method of communication among bacteria, controls activities like the formation of biofilms, the production of virulence factors, and the synthesis of secondary metabolites according to the number of individuals in the population. Quorum quenching, which interferes with these processes, emerges as a vital approach to diminish bacterial virulence and prevent biofilm formation. Nanocarriers, characterized by their small size, high surface-area-to-volume ratio, and modifiable surface chemistry, offer a versatile platform for the disruption of bacterial communication by targeting various stages within the quorum sensing pathway. These features allow nanocarriers to infiltrate biofilms, disrupt cell membranes, and inhibit bacterial proliferation, presenting a promising alternative to traditional antibiotics. Integrating nanocarrier-based systems into combination therapies provides a multi-pronged approach to infection control, enhancing both the efficacy and specificity of treatment regimens. Nonetheless, challenges related to the stability, safety, and clinical effectiveness of nanomaterial-based antimicrobial treatments remain. Continued research and development are essential to overcoming these obstacles and fully harnessing the potential of nano-antimicrobial therapies. This review emphasizes the importance of quorum sensing in bacterial behavior and highlights the transformative potential of nanotechnology in advancing antimicrobial treatments, offering innovative solutions to combat antibiotic-resistant pathogens.
Synergetic Effect of β-Cyclodextrin and Its Simple Carbohydrate Substituents on Complexation of Folic Acid and Its Structural Analog Methotrexate
Authors: Ceborska Magdalena , Siklitskaya Aleksandra , Kowalska Aneta Aniela , Kędra Karolina
Published: September 2024

Folic acid (FA) and its structural analog, anticancer medicine methotrexate (MTX), are known to form host/guest complexes with native cyclodextrins, of which the most stable are formed with the medium-sized β-cyclodextrin. Based on our research, proving that simple sugars (D-glucose, D-galactose, and D-mannose) can form adducts with folic acid, we envisioned that combining these two types of molecular receptors (cyclodextrin and simple carbohydrates) into one may be beneficial for the complexation of FA and MTX. We designed and obtained host/guest inclusion complexes of FA and MTX with two monoderivatives of β-cyclodextrin—substituted at position 6 with monosaccharide (glucose, G-β-CD) and disaccharide (maltose, Ma-β-CD). The complexation was proved by experimental (NMR, UV-vis, IR, TG, DSC) and theoretical methods. We proved that derivatization of β-cyclodextrin with glucose and maltose has a significant impact on the complexation with FA and MTX, as the addition of one glucose subunit to the structure of the receptor significantly increases the value of association constant for both FA/G-β-CD and MTX/G-β-CD, while further extending a pendant chain (incorporation of maltose subunit) results in no additional changes.
PBPK Modeling of Lamotrigine and Efavirenz during Pregnancy: Implications for Personalized Dosing and Drug-Drug Interaction Management
Authors: Costa Bárbara , Gouveia Maria João , Vale Nuno
Published: September 2024

This study aimed to model the pharmacokinetics of lamotrigine (LTG) and efavirenz (EFV) in pregnant women using physiologically based pharmacokinetic (PBPK) and pregnancy-specific PBPK (p-PBPK) models. For lamotrigine, the adult PBPK model demonstrated accurate predictions for pharmacokinetic parameters. Predictions for the area under the curve (AUC) and peak plasma concentration (Cmax) generally agreed well with observed values. During pregnancy, the PBPK model accurately predicted AUC and Cmax with a prediction error (%PE) of less than 25%. The evaluation of the EFV PBPK model revealed mixed results. While the model accurately predicted certain parameters for non-pregnant adults, significant discrepancies were observed in predictions for higher doses (600 vs. 400 mg) and pregnant individuals. The model’s performance during pregnancy was poor, indicating the need for further refinement to account for genetic polymorphism. Gender differences also influenced EFV pharmacokinetics, with lower exposure levels in females compared to males. These findings highlight the complexity of modeling EFV, in general, but specifically in pregnant populations, and the importance of validating such models for accurate clinical application. The study highlights the importance of tailoring dosing regimens for pregnant individuals to ensure both safety and efficacy, particularly when using combination therapies with UGT substrate drugs. Although drug-drug interactions between LTG and EFV appear minimal, further research is needed to improve predictive models and enhance their accuracy.
Tense-Logic and the Revival of Philosophical Theology
Authors: Jakobsen David
Published: September 2024

The article discusses Nicholas Wolterstorff’s explanations for the flourishing of philosophical theology in analytic philosophy by taking Arthur Norman Prior’s (1914–1969) development of tense-logic into account. Prior’s work challenged the prevailing anti-metaphysical norms in analytic philosophy and introduced an alternative understanding of the relationship between logic and metaphysics. Prior’s application of tense-logic to an analysis of the concept of existence in quantified tense-logic and his exploration of future contingency in branching time semantics provide a strong reason for why analytic philosophy naturally incorporates philosophical theology. These considerations lead us to modify Wolterstorff’s emphasis on the importance of meta-epistemology for the resurgence of philosophical theology. A development in logic was necessary. Furthermore, Prior’s importance questions the assumption that philosophical theology was a consequence of theistic philosophers seeking ways to defend theistic beliefs in analytic philosophy. This is not true for Prior. His invention of tense-logic and discussion of omniscience was driven by an existential interest in finding answers to philosophical problems concerning divine foreknowledge and human freedom which ultimately led him to reject his Christian beliefs.
Variation in Root-Associated Microbial Communities among Three Different Plant Species in Natural Desert Ecosystem
Authors: Zhang Yulin , Du Yi , Zhang Zhihao , Islam Waqar , Zeng Fanjiang
Published: September 2024

The process and function that underlie the assembly of root-associated microbiomes may be strongly linked to the survival strategy of plants. However, the assembly and functional changes of root-associated microbial communities in different desert plants in natural desert ecosystems are still unclear. Thus, we studied the microbial communities and diversity of root endosphere (RE), rhizosphere soil (RS), and bulk soil (BS) among three representative desert plants (Alhagi sparsifolia, Tamarix ramosissima, and Calligonum caput-medusae) in three Xinjiang desert regions {Taklimakan (CL), Gurbantünggüt (MSW), and Kumtag (TLF)} in China. This study found that the soil properties {electrical conductivity (EC), soil organic carbon (SOC), total nitrogen (TN) and phosphorus (TP), available nitrogen (AN) and phosphorus (AP)} of C. caput-medusae were significantly lower than those of A. sparsifolia and T. ramosissima, while the root nutrients (TN and TP) of A. sparsifolia were significantly higher compared to C. caput-medusae and T. ramosissima. The beta diversity of bacteria and fungi (RE) among the three desert plants was significantly different. The common OTU numbers of bacteria and fungi in three compartments (RE, RS, and BS) of the three desert plants were ranked as RS > BS > RE. The bacterial and fungal (RE) Shannon and Simpson indexes of C. caput-medusae were significantly lower as compared to those of A. sparsifolia and T. ramosissima. Additionally, bacterial and fungal (RE and RS) node numbers and average degree of C. caput-medusae were lower than those found in A. sparsifolia and T. ramosissima. Root and soil nutrients collectively contributed to the composition of root-associated bacterial (RE, 12.4%; RS, 10.6%; BS, 16.6%) and fungal communities (RE, 34.3%; RS, 1.5%; BS, 17.7%). These findings demonstrate variations in the bacterial and fungal populations across different plant species with distinct compartments (RE, RS, and BS) in arid environments. More importantly, the study highlights how much soil and plant nutrients contribute to root-associated microbial communities.
3D-Printed Phenylboronic Acid-Bearing Hydrogels for Glucose-Triggered Drug Release
Authors: Odent Jérémy , Baleine Nicolas , Torcasio Serena Maria , Gautier Sarah , Coulembier Olivier , Raquez Jean-Marie
Published: September 2024

Diabetes is a major health concern that the next-generation of on-demand insulin releasing implants may overcome via personalized therapy. Therein, 3D-printed phenylboronic acid-containing implants with on-demand glucose-triggered drug release abilities are produced using high resolution stereolithography technology. To that end, the methacrylation of phenylboronic acid is targeted following a two-step reaction. The resulting photocurable phenylboronic acid derivative is accordingly incorporated within bioinert polyhydroxyethyl methacrylate-based hydrogels at varying loadings. The end result is a sub-centimeter scaled 3D-printed bioinert implant that can be remotely activated with 1,2-diols and 1,3-diols such as glucose for on-demand drug administration such as insulin. As a proof of concept, varying glucose concentration from hypoglycemic to hyperglycemic levels readily allow the release of pinacol, i.e., a 1,2-diol-containing model molecule, at respectively low and high rates. In addition, the results demonstrated that adjusting the geometry and size of the 3D-printed part is a simple and suitable method for tailoring the release behavior and dosage.