bluuebunny/crossref_metadata_2025 huggingface dataset:
Electron Beam Irradiation on the Production of a Si- and Zr-Based Hybrid Material: A Study by FTIR and WDXRF
Authors: Rodrigues Alexandra P. , Santos Pedro M. P. , Veiga João Pedro , Casimiro Maria Helena , Ferreira Luís M.
Published: January 2023

Sol-gel production of hybrid materials has, to some extent, revolutionised materials’ engineering and the way science and technology perceive the creation of new materials. Despite that, the method presents some limitations that are circumvented by radiation processing. Electron beam irradiation was used to promote synthesis of hybrid structures while using silanol-terminated PDMS, TEOS and TPOZ as precursors. Evaluation of the method’s performance was executed by gel fraction determination, WDXRF and FTIR-ATR. Results showed that, although there is some pre-irradiation reactivity between precursors, radiolysis induces scission on multiple sites of precursor’s structures, which induces hybrid network formation to a greater extent. Characterisation allowed determining electron beam irradiation to be effective in the creation of Si–O–Zr bonds, resulting in the production of a Class II hybrid material.
Identification of Key Aromatic Compounds in Basil (Ocimum L.) Using Sensory Evaluation, Metabolomics and Volatilomics Analysis
Authors: Du Pengmeng , Yuan Honglun , Chen Yayu , Zhou Haihong , Zhang Youjin , Huang Menglan , Jiangfang Yiding , Su Rongxiu , Chen Qiyu , Lai Jun , Guan Lingliang , Ding Yuanhao , Hu Haiyan , Luo Jie
Published: January 2023

Basil (Ocimum L.) is widely used as a flavor ingredient, however research on basil flavor is limited. In the current study, nine basil species were selected, including Ocimum basilicum L.var. pilosum (Willd.) Benth., Ocimum sanctum, Ocimum basilicum cinnamon, Ocimum gratissimum var. suave, Ocimum tashiroi, Ocimum basilicum, Ocimum americanum, Ocimum basilicum ct linalool, and Ocimum basilicum var. basilicum, and their fragrance and flavor characteristics were assessed by sensory evaluation. The results indicated that Ocimum basilicum var. basilicum and Ocimum gratissimum var. suave have a strong clove smell and exhibited a piquant taste. Metabolomics and volatilomics analyses measured 100 nonvolatile metabolites and 134 volatiles. Differential analysis showed that eugenol, γ-terpinene, germacrene D and malic acid were among the most varied metabolites in basil species. Combined with sensory evaluation results, correlation analysis revealed that β-pinene and γ-cadinene contributed to the piquant smell, while eugenol and germacrene D contributed to the clove smell, and malic acid and L-(−)-arabitol contributed to the sweet flavor in basil. This study provided comprehensive flavor chemistry profiles of basil species and could be used as a guide for basil flavor improvement. The better understanding of objective sensory attributes and chemical composition of fresh basil could introduce the improved cultivars with preponderant traits, which is also in accordance with the various demands of breeders and growers, food producers, and consumers.
Evaluation of Bronze Electrode in Electrical Discharge Coating Process for Copper Coating
Authors: Maddu JagadeeswaraRao , Karrolla Buschaiah , Shaik Riyaaz Uddien , Elahi Hassan , Arkanti Krishnaiah
Published: January 2023

One of the widely used non-traditional machines for machining of hard materials into complex shapes and different sizes is the electrical discharge machine (EDM). Recently, the EDM has been used for deposition by controlling the input parameters (current and duty cycle). This work was carried out to evaluate the readily available bronze (88% Cu + 12% Sn) electrode for deposition of copper material on titanium alloy. Experiments were conducted according to Taguchi experimental design considering the input parameters of current, Ton, Toff and preheating temperature of substrates. Titanium alloy was further hardened by preheating at temperatures of 100 °C, 300 °C and 500 °C and quenching in brine, castor oil and vegetable oil in order to avoid workpiece erosion. After this treatment, hardness, grain area, grain diameter and number of grains were characterized to compare with pretreated substrates. Then, the treated substrates were taken for copper deposition with the EDM. Output parameters such as material deposition rate (MDR), electrode wear rate (EWR), coating thickness (CT), elemental composition and surface crack density (SCD) were found. Material characterization was carried out using a scanning electron microscope (SEM) with energy dispersive X-ray spectroscopy (EDX) and optical microscopy. Output parameters were optimized with technique for order of preference by similarity to ideal solution (TOPSIS) to find optimum parameters. A sixth experiment with parameter values of Ton of 440 µs, Toff of 200 µs, preheating temperature of 300 °C and quenching medium of castor oil was optimum with MDR of 0.00506 g/m, EWR of 0.00462 g/m, CT of 40.2 µm and SCD 19.4 × 107 µm2.
Photogating Effect of Atomically Thin Graphene/MoS2/MoTe2 van der Waals Heterostructures
Authors: Park Do-Hyun , Lee Hyo Chan
Published: January 2023

The development of short-wave infrared photodetectors based on various two-dimensional (2D) materials has recently attracted attention because of the ability of these devices to operate at room temperature. Although van der Waals heterostructures of 2D materials with type-II band alignment have significant potential for use in short-wave infrared photodetectors, there is a need to develop photodetectors with high photoresponsivity. In this study, we investigated the photogating of graphene using a monolayer-MoS2/monolayer-MoTe2 van der Waals heterostructure. By stacking MoS2/MoTe2 on graphene, we fabricated a broadband photodetector that exhibited a high photoresponsivity (>100 mA/W) and a low dark current (60 nA) over a wide wavelength range (488–1550 nm).
Effect of H2O2 @CuONPs in the UV Light-Induced Removal of Organic Pollutant Congo Red Dye: Investigation into Mechanism with Additional Biomedical Study
Authors: Latif Salman , Abdulaziz Fahad , Alanazi Abdulaziz M. , Alsehli Amal H. , Alsowayigh Marwah M. , Alanazi Abdulaziz A.
Published: January 2023

Hazardous dyes in industrial wastewater are an internationally recognized issue for community health. Nanoparticles synthesized through green protocols are a fascinating research field with numerous applications. The current study mainly aimed to investigate the degradation of Congo red (CR) dye under UV light in the presence of H2O2 and the photocatalytic activity of copper oxide nanoparticles (CuONPs). For CuONP formation, Citrus maxima extract contains a high number of phytochemical constituents. The size of CuONPs ranges between 25 and 90 nm. The photocatalytic activity of CuONPs with the addition of H2O2 was observed and analyzed under UV light to eliminate CR dye. The UV light caused the decomposition of H2O2, which produced ·OH radicals. The results revealed a significant increment in dye degradation during the presence of H2O2. The effect of concentration on the degradation of the CR dye was also studied. The degradation pathway of organic pollutants was reputable from the hydroxy radical medicated degradation of CR. Advanced Oxidation Treatment depends on the in situ production of reactive ·OH species and is presented as the most effective procedure for decontamination. The biological activity of CuONPs was evaluated against Escherichia coli Bacillus subtillis, Staphylococcus aureus, Shigella flexenari, Acinetobacter Klebsiella pneumonia, Salmonella typhi and Micrococcus luteus. The newly synthesised nanomaterials showed strong inhibition activity against Escherichia coli (45%), Bacillus subtilis (42%) and Acinetobacter species (25%). The activity of CuONPs was also investigated against different fungus species such as: Aspergillus flavus, A. niger, Candida glabrata, T. longifusus, M. Canis, C. glabrata and showed a good inhibition zone against Candida glabrata 75%, Aspergillus flavus 68%, T. longifusus 60%. The materials showed good activity against C. glaberata, A. flavus and T. longifusus. Furthermore, CuONPs were tested for antioxidant properties using 2, 2 diphenyl-1-picrylhydrazyl) (DPPH).
Isomeric Activity Cliffs—A Case Study for Fluorine Substitution of Aminergic G Protein-Coupled Receptor Ligands
Authors: Pietruś Wojciech , Kurczab Rafał , Warszycki Dawid , Bojarski Andrzej J. , Bajorath Jürgen
Published: January 2023

Currently, G protein-coupled receptors (GPCRs) constitute a significant group of membrane-bound receptors representing more than 30% of therapeutic targets. Fluorine is commonly used in designing highly active biological compounds, as evidenced by the steadily increasing number of drugs by the Food and Drug Administration (FDA). Herein, we identified and analyzed 898 target-based F-containing isomeric analog sets for SAR analysis in the ChEMBL database—FiSAR sets active against 33 different aminergic GPCRs comprising a total of 2163 fluorinated (1201 unique) compounds. We found 30 FiSAR sets contain activity cliffs (ACs), defined as pairs of structurally similar compounds showing significant differences in affinity (≥50-fold change), where the change of fluorine position may lead up to a 1300-fold change in potency. The analysis of matched molecular pair (MMP) networks indicated that the fluorination of aromatic rings showed no clear trend toward a positive or negative effect on affinity. Additionally, we propose an in silico workflow (including induced-fit docking, molecular dynamics, quantum polarized ligand docking, and binding free energy calculations based on the Generalized-Born Surface-Area (GBSA) model) to score the fluorine positions in the molecule.
Insecticidal and Detoxification Enzyme Inhibition Activities of Essential Oils for the Control of Pulse Beetle, Callosobruchus maculatus (F.) and Callosobruchus chinensis (L.) (Coleoptera: Bruchidae)
Authors: Gupta Himanshi , Deeksha  , Urvashi  , Reddy S. G. Eswara
Published: January 2023

Pulse beetle is the most harmful pest attacking stored grains and affecting quality and marketability. Continuous use of chemical-based pesticides against pulse beetle led to the development of insecticidal resistance; essential oils (EOs) can be an effective natural alternative against this pest. The main objective was to study the chemical composition of seven EOs viz., Acorus calamus, Hedychium spicatum, Lavandula angustifolia, Juniperus recurva, Juniperus communis, Cedrus deodara and Pinus wallichiana, their insecticidal and enzyme inhibition activities against pulse beetle. The primary compounds present in these EOs were cis-asarone, 1,8-cineole, linalyl isobutyrate, 2-β-pinene, camphene, α-dehydro-ar-himachalene and camphene. A. calamus oil showed promising fumigant toxicity to Callosobruchus maculatus and C. chinensis (LC50 = 1357.86 and 1379.54 µL/L, respectively). A combination of A. calamus + L. angustifolia was effective against C. maculatus and C. chinensis (LC50 = 108.58 and 92.18 µL/L, respectively). All the combinations of EOs showed synergistic activity. In the repellency study, A. calamus showed more repellence to C. maculatus and C. chinensis (RC50 = 53.98 and 118.91 µL/L, respectively). A. calamus and L. angustifolia oil at 2500, 5000 and 10,000 µL/L significantly inhibited the AChE and GST enzymes in C. maculatus and C. chinensis after 24 and 48 h.
A Multi-Pumping Gradient Calibration Module for Potentiometric Determination of Nitrate in Surface Water
Authors: Kalinowski Sławomir , Kościelniak Paweł , Wierzbicka Elwira , Koronkiewicz Stanisława
Published: January 2023

The novel, automated, multi-pumping flow system (MPFS) for online calibration and determination of nitrate in surface water is presented for the first time. The system was equipped with micropumps of three different nominal volumes (10, 20, and 50 µL). As a result, it was possible to prepare from one standard, directly in a flow system, up to seven standard solutions. Determination of nitrate was conducted in stop-flow conditions and is based on a commercially available ion selective electrode (ISE) application. It was found that the linearity and slope of the calibration graphs depend mainly on the characteristics of the ISE. The obtained results were very repeatable, owing to the high precision of the micro-pumps used. The R.S.D. for the stroke volume of each micro-pump was below 1%. The accuracy of the method was checked through determination of nitrate in surface water samples. The obtained results were compared with those of the reference method (photometric Hach cuvette tests). It was found that, at a 96% confidence level, the difference between the results obtained by the proposed method and the reference method was statistically insignificant. The accuracy of the method was confirmed through the determination of nitrate in Certified Reference Material. The relative deviation (R.D.) of the measured and the certified concentrations was 5%.
Isorhamnetin Reduces Glucose Level, Inflammation, and Oxidative Stress in High-Fat Diet/Streptozotocin Diabetic Mice Model
Authors: Alqudah Abdelrahim , Qnais Esam Y. , Wedyan Mohammed A. , Altaber Sara , Bseiso Yousra , Oqal Muna , AbuDalo Rawan , Alrosan Khaled , Alrosan Amjad Z. , Bani Melhim Suhad , Alqudah Mohammad , Athamneh Rabaa Y. , Gammouh Omar
Published: January 2023

Background: Isorhamnetin is a flavonoid that is found in medical plants. Several studies showed that isorhamnetin has anti-inflammatory and anti-obesity effects. This study aims to investigate the anti-diabetic effects of isorhamnetin in a high-fat diet and Streptozotocin-(HFD/STZ)-induced mice model of type 2 diabetes. Materials and Methods: Mice were fed with HFD followed by two consecutive low doses of STZ (40 mg/kg). HFD/STZ diabetic mice were treated orally with isorhamnetin (10 mg/kg) or (200 mg/kg) metformin for 10 days before sacrificing the mice and collecting plasma and soleus muscle for further analysis. Results: Isorhamnetin reduced the elevated levels of serum glucose compared to the vehicle control group (p < 0.001). Isorhamnetin abrogated the increase in serum insulin in the treated diabetic group compared to the vehicle control mice (p < 0.001). The homeostasis model assessment of insulin resistance (HOMA-IR) was decreased in diabetic mice treated with isorhamnetin compared to the vehicle controls. Fasting glucose level was significantly lower in diabetic mice treated with isorhamnetin during the intraperitoneal glucose tolerance test (IPGTT) (p < 0.001). The skeletal muscle protein contents of GLUT4 and p-AMPK-α were upregulated following treatment with isorhamnetin (p > 0.01). LDL, triglyceride, and cholesterol were reduced in diabetic mice treated with isorhamnetin compared to vehicle control (p < 0.001). Isorhamnetin reduced MDA, and IL-6 levels (p < 0.001), increased GSH levels (p < 0.001), and reduced GSSG levels (p < 0.05) in diabetic mice compared to vehicle control. Conclusions: Isorhamnetin ameliorates insulin resistance, oxidative stress, and inflammation. Isorhamnetin could represent a promising therapeutic agent to treat T2D.
Effect of Mg on the Structural, Optical and Thermoluminescence Properties of Li3Al3(BO3)4: Shift in Main Glow Peak
Authors: Alshoaibi Adil , Ike Patrick O. , Nwanya Assumpta C. , Awada Chawki , Islam Shumila , Ezema Fabian I.
Published: January 2023

The doping of magnesium on lithium aluminium borate phosphor is reported in this study. A solid-state sintering technique was employed as the borate samples were synthesized. This report focuses on the structural, optical, thermoluminescence, and kinetic analyses of the main glow peak. The structural properties of lithium aluminium borates improved due to the magnesium dopants used. Differences in the crystallite size and particle size were 38.85–67.35 nm and 50–60 nm, respectively, and these results were obtained from the analyzed X-ray diffractogram and scanning electron spectroscopy. The energy band gaps obtained from the direct transition of borate phosphor materials were within the range of 3.00–4.40 eV, and the doped samples gave a higher energy band gap. A decrease in the TGA (%) exhibited a weight loss or water loss for the undoped, 0.1% Mg, and 0.3% Mg-doped lithium aluminium borate materials. The glow curve measured at a heat rate of 1 °C·s−1 after irradiation to 50 Gy revealed four peaks related to the magnesium doped lithium aluminium borate. The main glow peak was observed at 86 °C. Activation energy was extracted from the main glow peak by using kinetic analysis which involves the initial rise, deconvolution, and variable heating rate approach, and it was approximately 0.67 ± 0.03 eV. A shift in the main glow peak curve from 86 to 110 °C was recognized for the magnesium-doped lithium aluminium borate when it was irradiated from 1 to 300 Gy.
Analysis of Interactions Occurring during the Pyrolysis of Lignocellulosic Biomass
Authors: Bielecki Marcin , Zubkova Valentina
Published: January 2023

This paper presents a review of the recent advances in research on the interactions between the components of lignocellulosic biomass. The literature reports on the effects of interaction between lignocellulosic biomass components, such as cellulose–lignin, lignin–hemicellulose, and hemicellulose–cellulose, were discussed. The results obtained by other researchers were analyzed from the viewpoint of the interactions between the pyrolysis products formed along with the impact effects of the organic and inorganic components present or added to the biomass with regard to the yield and composition of the pyrolysis products. Disagreements about some statements were noted along with the lack of an unequivocal opinion about the directivity of interactions occurring during biomass pyrolysis. Based on the data in the scientific literature, it was suggested that the course of the pyrolysis process of biomass blends can be appropriately directed by changes in the ratio of basic biomass components or by additions of inorganic or organic substances.
Osthole Antagonizes Microglial Activation in an NRF2-Dependent Manner
Authors: Liu Chuan-Hsiu , Chen Mei-Ying , Kuo Yueh-Hsiung , Cheng Jack , Chang Li-Zhong , Chang Meng-Shiun , Chuang Tsai-Ni , Hsieh Wen-Tsong , Xiao Yan-Ru , Wu Bor-Tsang , Lin Wei-Yong , Liu Hsin-Ping
Published: January 2023

Microglia are neuroglia in the brain with an innate immune function and participate in the progress of neurodegenerative diseases. Osthole (OST) is a coumarin derivative extracted from Cnidium monnieri and bears a microglia-antagonizing ability. However, the underlying mechanism of the antagonism is not clear. The lipopolysaccharides-induced microglial BV2 cell line and amyloid-overexpressing fruit fly were used as models to study OST treatment. We found that OST treatment is sufficient to evoke NRF2 cascade under an LPS-induced inflammatory environment, and silencing NRF2 is sufficient to abolish the process. Moreover, we found that OST is sufficient to antagonize microglial activation in both LPS-induced BV2 cells and Aβ-overexpressing fruit flies, and silencing NRF2 abolishes OST’s antagonism. Furthermore, OST treatment rescued survival, climbing, and the learning ability of Aβ-overexpressing fruit flies and relieved oxidative stress. In conclusion, we proved that OST antagonizes microglial activation induced by either LPS or Aβ and that NRF2 is necessary for OST’s antagonism.
Effect of 3d Transition Metal Atom Intercalation Concentration on the Electronic and Magnetic Properties of Graphene/MoS2 Heterostructure: A First-Principles Study
Authors: Wu Feng , Wang Zijin , He Jiaqi , Li Zhenzhe , Meng Lijuan , Zhang Xiuyun
Published: January 2023

The electronic and magnetic properties of graphene/MoS2 heterostructures intercalated with 3d transition metal (TM) atoms at different concentrations have been systematically investigated by first principles calculations. The results showed that all the studied systems are thermodynamically stable with large binding energies of about 3.72 eV–6.86 eV. Interestingly, all the TM-intercalated graphene/MoS2 heterostructures are ferromagnetic and their total magnetic moments increase with TM concentration. Furthermore, TM concentration-dependent spin polarization is obtained for the graphene layer and MoS2 layer due to the charge transfer between TM atoms and the layers. A significant band gap is opened for graphene in these TM-intercalated graphene/MoS2 heterostructures (around 0.094 eV–0.37 eV). With the TM concentration increasing, the band gap of graphene is reduced due to the enhanced spin polarization of graphene. Our study suggests a research direction for the manipulation of the properties of 2D materials through control of the intercalation concentration of TM atoms.
Synthesis of Triblock Polycarboxylate Superplasticizers with Well-Defined Structure and Its Dispersing Performance in β-Hemihydrate Gypsum
Authors: Guo Guangming , Gao Guohua , Jiang Weiliang , Wang Xianglong , Pei Meishan , Wang Luyan
Published: January 2023

In this work, a novel AaBAb-type triblock polycarboxylate superplasticizers (PCEs) with well defined molecular structures were designed and synthesized, firstly, by reversible addition-fragmentation chain transfer (RAFT) polymerization, to explore the structure–property relationship PCEs in the β-hemihydrate gypsum (β-HH) system. Three PCEs with the same molecular weight and different structure were obtained by changing the feed ratio of the RAFT agent, initiator, and monomer. The effect of the chemical structure of PCEs on their dispersing property and water reduction capacity were assessed in gypsum by measuring the flowability of pastes and the adsorption ability of PCEs on gypsum. Results showed that among three PCEs, when the monomer ratio is 5:1 and a:b = 1:1, PCE-1 exhibited a higher working efficiency, verifying the contribution of regulating structural parameters to the improvement in performances of gypsum paste, because PCE-1 showed the strongest binding capacity with calcium ions due to the relatively equal amount of carboxyl groups at both ends. The AaBAb-type PCEs provide a special advantage over the conventional comb polymer to understand the relation between the structure and property of PCEs, and a direction for further development of PCEs of high performance.
Discovery of a Novel Trifluoromethyl Diazirine Inhibitor of SARS-CoV-2 Mpro
Authors: Citarella Andrea , Moi Davide , Pedrini Martina , Pérez-Peña Helena , Pieraccini Stefano , Stagno Claudio , Micale Nicola , Schirmeister Tanja , Sibille Giulia , Gribaudo Giorgio , Silvani Alessandra , Passarella Daniele , Giannini Clelia
Published: January 2023

SARS-CoV-2 Mpro is a chymotrypsin-like cysteine protease playing a relevant role during the replication and infectivity of SARS-CoV-2, the coronavirus responsible for COVID-19. The binding site of Mpro is characterized by the presence of a catalytic Cys145 which carries out the hydrolytic activity of the enzyme. As a consequence, several Mpro inhibitors have been proposed to date in order to fight the COVID-19 pandemic. In our work, we designed, synthesized and biologically evaluated MPD112, a novel inhibitor of SARS-CoV-2 Mpro bearing a trifluoromethyl diazirine moiety. MPD112 displayed in vitro inhibition activity against SARS-CoV-2 Mpro at a low micromolar level (IC50 = 4.1 μM) in a FRET-based assay. Moreover, an inhibition assay against PLpro revealed lack of inhibition, assuring the selectivity of the compound for the Mpro. Furthermore, the target compound MPD112 was docked within the binding site of the enzyme to predict the established intermolecular interactions in silico. MPD112 was subsequently tested on the HCT-8 cell line to evaluate its effect on human cells’ viability, displaying good tolerability, demonstrating the promising biological compatibility and activity of a trifluoromethyl diazirine moiety in the design and development of SARS-CoV-2 Mpro binders.
An Imidazo[1,5-a]pyridine Benzopyrylium-Based NIR Fluorescent Probe with Ultra-Large Stokes Shifts for Monitoring SO2
Authors: Cui Renle , Liu Caihong , Zhang Ping , Qin Kun , Ge Yanqing
Published: January 2023

A mitochondria-targeted NIR probe based on the FRET mechanism was developed. It shows ultra-large Stokes shifts (460 nm) and emission shifts (285 nm). Furthermore, we also realized the imaging of SO2 in living SKOV-3 cells, zebrafish and living mice which may be useful for understanding the biological roles of SO2 in mitochondria and in vivo.
Combination of Enzymes and Deep Eutectic Solvents as Powerful Toolbox for Organic Synthesis
Authors: Arnodo Davide , Maffeis Elia , Marra Francesco , Nejrotti Stefano , Prandi Cristina
Published: January 2023

During the last decade, a wide spectrum of applications and advantages in the use of deep eutectic solvents for promoting organic reactions has been well established among the scientific community. Among these synthetic methodologies, in recent years, various examples of biocatalyzed processes have been reported, making use of eutectic mixtures as reaction media, as an improvement in terms of selectivity and sustainability. This review aims to show the newly reported protocols in the field, subdivided by reaction class as a ‘toolbox’ guide for organic synthesis.
Identification of Structural Determinants of the Transport of the Dehydroascorbic Acid Mediated by Glucose Transport GLUT1
Authors: Villagrán Marcelo , Burgos Carlos F. , Rivas Coralia I. , Mardones Lorena
Published: January 2023

GLUT1 is a facilitative glucose transporter that can transport oxidized vitamin C (i.e., dehydroascorbic acid) and complements the action of reduced vitamin C transporters. To identify the residues involved in human GLUT1’s transport of dehydroascorbic acid, we performed docking studies in the 5 Å grid of the glucose-binding cavity of GLUT1. The interactions of the bicyclic hemiacetal form of dehydroascorbic acid with GLUT1 through hydrogen bonds with the -OH group of C3 and C5 were less favorable than the interactions with the sugars transported by GLUT1. The eight most relevant residues in such interactions (i.e., F26, Q161, I164, Q282, Y292, and W412) were mutated to alanine to perform functional studies for dehydroascorbic acid and the glucose analog, 2-deoxiglucose, in Xenopus laevis oocytes. All the mutants decreased the uptake of both substrates to less than 50%. The partial effect of the N317A mutant in transporting dehydroascorbic acid was associated with a 30% decrease in the Vmax compared to the wildtype GLUT1. The results show that both substrates share the eight residues studied in GLUT1, albeit with a differential contribution of N317. Our work, combining docking with functional studies, marks the first to identify structural determinants of oxidized vitamin C’s transport via GLUT1.
Effects of Epigallocatechin-3-Gallate on Matrix Metalloproteinases in Terms of Its Anticancer Activity
Authors: Tanabe Hiroki , Suzuki Takuji , Ohishi Tomokazu , Isemura Mamoru , Nakamura Yoriyuki , Unno Keiko
Published: January 2023

Epidemiological studies have shown that the consumption of green tea has beneficial effects against cancer. Basic studies have provided evidence that epigallocatechin gallate (EGCG) is a major contributor to these effects. Matrix metalloproteinases (MMPs) are zinc-dependent metalloproteinases with the ability to degrade the extracellular matrix proteins and are involved in various diseases including cancer in which MMPs have a critical role in invasion and metastasis. In this review, we discuss the effects of EGCG on several types of MMPs in the context of its anticancer activity. In the promoter region, MMPs have binding sites for at least one transcription factor of AP-1, Sp1, and NF-κB, and EGCG can downregulate these transcription factors through signaling pathways mediated by reactive oxygen species. EGCG can also decrease nuclear ERK, p38, heat shock protein-27 (Hsp27), and β-catenin levels, leading to suppression of MMPs’ expression. Other mechanisms by which EGCG inhibits MMPs include direct binding to MMPs to prevent their activation and downregulation of NF-κB to suppress the production of inflammatory cytokines such as TNFα and IL-1β. Findings from studies on EGCG presented here may be useful in the development of more effective anti-MMP agents, which would give beneficial effects on cancer and other diseases.
A Non-Instrumental Green Analytical Method Based on Surfactant-Assisted Dispersive Liquid–Liquid Microextraction–Thin-Layer Chromatography–Smartphone-Based Digital Image Colorimetry(SA-DLLME-TLC-SDIC) for Determining Favipiravir in Biological Samples
Authors: Jain Bharti , Jain Rajeev , Jaiswal Prashant Kumar , Zughaibi Torki , Sharma Tanvi , Kabir Abuzar , Singh Ritu , Sharma Shweta
Published: January 2023

Favipiravir (FAV) has become a promising antiviral agent for the treatment of COVID-19. Herein, a green, fast, high-sample-throughput, non-instrumental, and affordable analytical method is proposed based on surfactant-assisted dispersive liquid–liquid microextraction (SA-DLLME) combined with thin-layer chromatography–digital image colourimetry (TLC-DIC) for determining favipiravir in biological and pharmaceutical samples. Triton X-100 and dichloromethane (DCM) were used as the disperser and extraction solvents, respectively. The extract obtained after DLLME procedure was spotted on a TLC plate and allowed to develop with a mobile phase of chloroform:methanol (8:2, v/v). The developed plate was photographed using a smartphone under UV irradiation at 254 nm. The quantification of FAV was performed by analysing the digital images’ spots with open-source ImageJ software. Multivariate optimisation using Plackett–Burman design (PBD) and central composite design (CCD) was performed for the screening and optimisation of significant factors. Under the optimised conditions, the method was found to be linear, ranging from 5 to 100 µg/spot, with a correlation coefficient (R2) ranging from 0.991 to 0.994. The limit of detection (LOD) and limit of quantification (LOQ) were in the ranges of 1.2–1.5 µg/spot and 3.96–4.29 µg/spot, respectively. The developed approach was successfully applied for the determination of FAV in biological (i.e., human urine and plasma) and pharmaceutical samples. The results obtained using the proposed methodology were compared to those obtained using HPLC-UV analysis and found to be in close agreement with one another. Additionally, the green character of the developed method with previously reported protocols was evaluated using the ComplexGAPI, AGREE, and Eco-Scale greenness assessment tools. The proposed method is green in nature and does not require any sophisticated high-end analytical instruments, and it can therefore be routinely applied for the analysis of FAV in various resource-limited laboratories during the COVID-19 pandemic.
Design and Synthesis of Scopoletin Sulfonate Derivatives as Potential Insecticidal Agents
Authors: Liu Congmin , Zheng Panyuan , Wang Hongmei , Wei Yan , Wang Chuanping , Hao Shuanghong
Published: January 2023

(1) Background: Scopoletin and scoparone, two naturally occurring coumarins, have garnered considerable attention and have been introduced to the market in China due to their high insecticidal efficacy and low toxicity. To investigate the structure–activity relationship of these coumarins, a series of scopoletin derivatives with aryl sulfate at C7 and different substitutes at C3 were designed and synthesized, and their insecticidal activity was studied. (2) Methods: A total of 28 new scopoletin derivatives were designed and synthesized. Most target compounds exhibited moderate insecticidal activity against the phytophagous mite Tetranychus cinnabarinus and the brine shrimp Artemia salina. (3) Results: Among these compounds, compounds 5a and 5j possessed the best insecticidal activities against T. cinnabarinus, with LC50 values of 57.0 and 20.0 μg/mL, respectively, whereas that of the control drug was 15.0 μg/mL. Compound 4j exhibited selective insecticidal activities against A. salina, with an LC50 value of 9.36 μg/mL, whereas its LC50 value against T. cinnabarinus was 93.0 μg/mL. The enzymatic inhibitory activity on acetylcholinesterase (AChE) showed a consistent tendency with the insecticidal activity. Further molecular docking analyses predicted the binding conformations of these compounds, which showed a good correlation between the insecticidal activity and the binding scores. (4) Conclusions: In general, a decreased electron cloud density of the Δ3,4 olefinic bond is beneficial for improving the insecticidal activity against both T. cinnabarinus and A. salina. In addition, naphthyl or benzene groups with a sulfate ester at the C7 position could further improve the insecticidal activity against A. salina. AChE was implied to be a site of action for potential insecticidal activity. The results provide insight into the rational design of a new generation of effective coumarin insecticides.
Efficient Synthesis and In Vitro Hypoglycemic Activity of Rare Apigenin Glycosylation Derivatives
Authors: Zhao Lin , Pei Yuqiong , Zhang Guoxin , Li Jiayao , Zhu Yujie , Xia Mingjun , Yan Ke , Mu Wen , Han Jing , Zhang Sen , Duan Jinao
Published: January 2023

Apigenin is a natural flavonoid with significant biological activity, but poor solubility in water and low bioavailability limits its use in the food and pharmaceutical industries. In this paper, apigenin-7-O-β-(6″-O)-d-glucoside (AG) and apigenin-7-O-β-(6″-O-succinyl)-d-glucoside (SAG), rare apigenin glycosyl and succinyl derivatives formed by the organic solvent-tolerant bacteria Bacillus licheniformis WNJ02 were used in a 10.0% DMSO (v/v) system. The water solubility of SAG was 174 times that of apigenin, which solved the application problem. In the biotransformation reaction, the conversion rate of apigenin (1.0 g/L) was 100% at 24 h, and the yield of SAG was 94.2%. Molecular docking showed that the hypoglycemic activity of apigenin, apigenin-7-glucosides (AG), and SAG was mediated by binding with amino acids of α-glucosidase. The molecular docking results were verified by an in vitro anti-α-glucosidase assay and glucose consumption assay of active compounds. SAG had significant anti-α-glucosidase activity, with an IC50 of 0.485 mM and enhanced glucose consumption in HepG2 cells, which make it an excellent α-glucosidase inhibitor.
Natural Products for Cosmetic Applications
Authors: Lee Jongsung , Hyun Chang-Gu
Published: January 2023

Natural products provide an interesting and largely unexplored source for the development of potential new cosmetic ingredients [...]
COVID-19 Related Protocol Considerations and Modifications within a Rural, Community-Engaged Health Promotion Randomized Trial
Authors: Seguin-Fowler Rebecca A. , Eldridge Galen D. , Graham Meredith , Folta Sara C. , Hanson Karla L. , Maddock Jay E.
Published: January 2023

Rural communities are at higher risk for physical inactivity, poor dietary behaviors, and related chronic diseases and obesity. These disparities are largely driven by built environment, socioeconomic, and social factors. A community-based cluster randomized controlled trial of an intervention, the Change Club, aims to address some of these disparities via civic engagement for built environment change. Baseline data collection began in February 2020, only to be paused by the COVID-19 pandemic. In this context, the investigators evaluated multiple approaches for collecting data when the study resumed, focusing on Life’s Simple 7, and additional anthropometric, physiologic, and behavioral outcomes in rural and micropolitan (<50,000 population) communities in Texas and New York. Life’s Simple 7 includes fasting blood glucose, total cholesterol, blood pressure, weight, physical activity, diet, and smoking. Rigor and feasibility were considered across a variety of in-person versus at-home measurement options. After a comprehensive input from participants, partners, staff, researchers, and the funding liaison, the study team chose self-measurement and use of validated questionnaires/surveys to measure the Life’s Simple 7 components. This case provides an example of how a study team might adjust data collection protocol during unexpected and acute events while giving consideration to rigor, feasibility, stakeholder views, and participants’ health and safety.
Frenkel-Poole Mechanism Unveils Black Diamond as Quasi-Epsilon-Near-Zero Surface
Authors: Orsini Andrea , Barettin Daniele , Pettinato Sara , Salvatori Stefano , Polini Riccardo , Rossi Maria Cristina , Bellucci Alessandro , Bolli Eleonora , Girolami Marco , Mastellone Matteo , Orlando Stefano , Serpente Valerio , Valentini Veronica , Trucchi Daniele Maria
Published: January 2023

A recent innovation in diamond technology has been the development of the “black diamond” (BD), a material with very high optical absorption generated by processing the diamond surface with a femtosecond laser. In this work, we investigate the optical behavior of the BD samples to prove a near to zero dielectric permittivity in the high electric field condition, where the Frenkel-Poole (FP) effect takes place. Zero-epsilon materials (ENZ), which represent a singularity in optical materials, are expected to lead to remarkable developments in the fields of integrated photonic devices and optical interconnections. Such a result opens the route to the development of BD-based, novel, functional photonic devices.
Interventions for Picky Eaters among Typically Developed Children—A Scoping Review
Authors: Kamarudin Mohd Shah , Shahril Mohd Razif , Haron Hasnah , Kadar Masne , Safii Nik Shanita , Hamzaid Nur Hana
Published: January 2023

Picky eating in children is often a major source of concern for many parents and caregivers. Picky eaters (PEs) consume limited foods, demonstrate food aversion, and have a limited food repertoire, which hinders their growth and health. These behaviours are common in children with special health care needs despite the rise in typically developing children. This leads to less attention being given to intervention programmes for typically developing children. Therefore, this scoping review aims to investigate the key concept of an existing intervention programme for PE among typically developing children, primarily on the types and approaches selected. A thorough literature search was conducted on three primary databases (PubMed, Emerald In-sight, and Web of Science) using predefined keywords. The literature was then appraised using the Joanna Briggs Institute’s guidelines and protocols, and the PRISMScR checklist. Inclusion and exclusion criteria were also specified in the screening procedure. Results showed that the majority of the interventions in these studies were single-component interventions, with the sensory approach being the type that was most frequently utilised, followed by the nutrition approach and parenting approach. Single and multiple intervention components improved the assessed outcome, with a note that other components may or may not show a similar outcome, as they were not assessed in the single-component intervention. Given the evidence that picky eating is influenced by various factors, a multi-component intervention can provide a substantial impact on future programmes. In addition, defining picky eaters using standardised tools is also essential for a more inclusive subject selection.
Ketogenic Diet Combined with Moderate Aerobic Exercise Training Ameliorates White Adipose Tissue Mass, Serum Biomarkers, and Hepatic Lipid Metabolism in High-Fat Diet-Induced Obese Mice
Authors: Yan Jiabao , Ren Cuiru , Dong Yunlong , Wali Jibran A. , Song Hongjie , Zhang Ying , Zhang Hengrui , Kou Guangning , Raubenheimer David , Cui Zhenwei
Published: January 2023

Obesity is a serious public health issue worldwide. Growing evidence demonstrates the efficacy of the ketogenic diet (KD) for weight loss, but there may be some adverse side effects such as dyslipidemia and hepatic steatosis. Aerobic exercise is a widely recognized approach for improving these metabolic markers. Here we explored the combined impacts of KD and moderate aerobic exercise for an 8-week intervention on body weight and fat loss, serum biomarkers, and hepatic lipid metabolism in a mouse model of high-fat diet-induced obesity. Both KD and KD combined with exercise significantly reduced body weight and fat mass. No significant adverse effects of KD were observed in serum biomarkers or hepatic lipid storage, except for an increase in circulating triglyceride level. However, aerobic exercise lowered serum triglyceride levels, and further ameliorated serum parameters, and hepatic steatosis in KD-fed mice. Moreover, gene and protein expression analysis indicated that KD combined with exercise was associated with increased expression of lipolysis-related genes and protein levels, and reduced expression of lipogenic genes relative to KD without exercise. Overall, our findings for mice indicate that further work on humans might reveal that KD combined with moderate aerobic exercise could be a promising therapeutic strategy for obesity.
Ex Vivo Evaluation of Glutamine Treatment in Sepsis and Trauma in a Human Peripheral Blood Mononuclear Cells Model
Authors: Briassouli Efrossini , Tzanoudaki Marianna , Goukos Dimitris , Vardas Kostas , Briassoulis Panagiotis , Ilia Stavroula , Kanariou Maria , Routsi Christina , Nanas Serafim , Daikos George L. , Briassoulis George
Published: January 2023

We aimed to assess the lipopolysaccharide (LPS), or heat shock (HS) induction, and glutamine-modulating effects on heat shock protein-90α (HSP90α) and cytokines in an ex vivo model using peripheral blood mononuclear cells (PBMCs). The PBMCs of patients with septic shock, trauma-related systemic inflammatory response syndrome (SIRS), and healthy subjects were incubated with 1 μg/mL LPS at 43 °C (HS). Glutamine 10 mM was added 1 hour before or after induction or not at all. We measured mRNA HSP90α, monocyte (m) and lymphocyte (l) HSP90α proteins, interleukin (IL)-1b, -6, -8, -10, tumor necrosis factor-α (TNF-α), and monocyte chemoattractant protein-1 (MCP-1) supernatant levels. Heat shock increased the HSP90α mRNA and mHSP90α in all groups (10-fold in sepsis, p < 0.001 and p = 0.047, respectively). LPS induced the mHSP90α and lHSP90α in healthy (p < 0.001) and mHSP90α in SIRS (p = 0.004) but not in sepsis. LPS induced the cytokines at 24 and 48 h in all groups, especially in trauma (p < 0.001); HS only induced the IL-8 in healthy (p = 0.003) and septic subjects (p = 0.05). Glutamine at 10 mM before or after stimulation did not alter any induction effect of LPS or HS on HSP90α mRNA and mHSP90α protein in sepsis. In SIRS, glutamine before LPS decreased the mHSP90α but increased it when given after HS (p = 0.018). Before or after LPS (p = 0.049) and before HS (p = 0.018), glutamine decreased the lHSP90α expression in sepsis but increased it in SIRS when given after HS (p = 0.003). Regarding cytokines, glutamine enhanced the LPS-induced MCP-1 at 48 h in healthy (p = 0.011), SIRS (p < 0.001), and sepsis (p = 0.006). In conclusion, glutamine at 10 mM, before or after LPS and HS, modulates mHSP90α and lHSP90α in sepsis and SIRS differently and unpredictably. Although it does not alter the stimulation effect on interleukins, glutamine enhances the LPS induction effect on supernatant MCP-1 in all groups. Future research should seek to elucidate better the impact of glutamine and temperature modulation on HSP90α and MCP-1 pathways in sepsis and trauma.
Protective Effects of Chestnut (Castanea crenata) Inner Shell Extract in Macrophage-Driven Emphysematous Lesion Induced by Cigarette Smoke Condensate
Authors: Jeong Ji-Soo , Kim Jeong-Won , Kim Jin-Hwa , Kim Chang-Yeop , Ko Je-Won , Kim Tae-Won
Published: January 2023

Chestnut (Castanea crenata) inner shell extract (CIE), a curative herb in Korea, has diverse pharmacological effects against various diseases including pulmonary fibrosis, asthma, and chronic obstructive pulmonary disease (COPD). However, its molecular mechanisms of anti-emphysematous effects are still not fully elucidated. In the present study, we elucidate the efficacy of CIE against emphysematous lesion progression in a cigarette smoke condensate (CSC)-instilled mice and CSC-stimulated H292 cell line. The mice are administered CSC via intranasal instillation at 7-day intervals for 1 month after 1 week of pretreatment with CIE. CIE (100 or 300 mg/kg) is administered by oral gavage for 1 month. CIE decreased the macrophage count in bronchoalveolar lavage fluid and the severity of emphysematous lesions in lung tissue. Additionally, CIE suppressed the phosphatidylinositol 3-kinase/protein kinase B/nuclear factor kappa B signal pathway and thereby downregulated matrix metalloprotease-9 expression, which was confirmed in CSC-stimulated H292 cells. Thus, CIE effectively inhibited CSC-induced macrophage-driven emphysema progression in airways; this inhibition was associated with the suppression of protease–antiprotease imbalance. Our results propose that CIE has the potential for the alleviation of COPD.
Biotin Deficiency Induces Intestinal Dysbiosis Associated with an Inflammatory Bowel Disease-like Phenotype
Authors: Yang Julianne C. , Jacobs Jonathan P. , Hwang Michael , Sabui Subrata , Liang Fengting , Said Hamid M. , Skupsky Jonathan
Published: January 2023

Biotin is an essential vitamin and critical cofactor in several metabolic pathways, and its deficiency has been linked to several disorders including inflammatory bowel disease (IBD). We previously reported that biotin deficiency (BD) in mice, whether modeled through intestine-specific deletion of biotin transporter (SMVT-icKO) or through a biotin-deficient diet, resulted in intestinal inflammation consistent with an IBD-like phenotype. To assess whether the gut microbiome is associated with these BD-induced changes, we collected stool and intestinal samples from both of these mouse models and utilized them for 16S rRNA gene sequencing. We find that both diet-mediated and deletion-mediated BD result in the expansion of opportunistic microbes including Klebsiella, Enterobacter, and Helicobacter, at the expense of mucus-resident microbes including Akkermansia. Additionally, microbiome dysbiosis resulting from diet-mediated BD precedes the onset of the IBD-like phenotypic changes. Lastly, through the use of predictive metagenomics, we report that the resulting BD-linked microbiome perturbations exhibit increased biotin biosynthesis in addition to several other perturbed metabolic pathways. Altogether, these results demonstrate that biotin deficiency results in a specific microbiome composition, which may favor microbes capable of biotin synthesis and which may contribute to intestinal inflammation.