bluuebunny/crossref_metadata_2025 huggingface dataset:
Influences of Playfulness on Smartphone Dependency among Upper Grades of Korean Elementary Schoolers
Authors: Kim Seong Eon , Kang Hyoung-Kil
Published: June 2022

A paucity of research has addressed the relationship between each psychological construct of playfulness and smartphone dependency, and the purpose of this research is to understand how each psychological construct of playfulness, including physical animation, social engagement, mental spontaneity, emotional fluidity, and humorous perspective playfulness, influences smartphone dependency of the upper grades of elementary schoolers. For this purpose, a total of 278 questionnaires was analyzed for descriptive, correlation, and multiple regression analysis. The correlation analysis showed that respondents’ age positively and parents’ education levels negatively correlates to smartphone dependency. The multiple regression analyses showed that physical animation playfulness and emotional fluidity playfulness negatively and social engagement playfulness positively influence smartphone dependency of the respondents. The findings indicate that to reduce smartphone dependency among elementary schoolers, physical animation and emotional fluidity playfulness need to be promoted. The findings also suggest that each component of playfulness has distinctive advantages and disadvantages of developmental processes in childhood, and more future research endeavors need to be directed to understand the role of playfulness in children’s behaviors and cognitive processes.
Pharmacotherapy of Itch—Antihistamines and Histamine Receptors as G Protein-Coupled Receptors
Authors: Fukasawa Takemichi , Yoshizaki-Ogawa Asako , Enomoto Atsushi , Miyagawa Kiyoshi , Sato Shinichi , Yoshizaki Ayumi
Published: June 2022

Itching can decrease quality of life and exacerbate skin symptoms due to scratching. Itching not only contributes to disease progression but also triggers complications such as skin infections and eye symptoms. Therefore, controlling itching is very important in therapeutic management. In addition to the well-known histamine, IL-31, IL-4 and IL-13 have recently been reported as factors that induce itching. Itching may also be caused by factors other than these histamines. However, we do not know the extent to which these factors are involved in each disease. In addition, the degree of involvement is likely to vary among individuals. To date, antihistamines have been widely used to treat itching and are often effective, suggesting that histamine is more or less involved in itchy diseases. This review discusses the ligand-receptor perspective and describes the dynamics of G protein-coupled receptors, their role as biased agonists, their role as inverse agonists, proactive antihistamine therapy, and drug selection with consideration of impaired performance and anti-PAF effects.
Metabolic Characteristics of Hashimoto’s Thyroiditis Patients and the Role of Microelements and Diet in the Disease Management—An Overview
Authors: Mikulska Aniceta A. , Karaźniewicz-Łada Marta , Filipowicz Dorota , Ruchała Marek , Główka Franciszek K.
Published: June 2022

Hashimoto’s thyroiditis (HT) is the most common autoimmune disease and the leading cause of hypothyroidism, in which damage to the thyroid gland occurs due to the infiltration of lymphocytes. It is characterized by increased levels of antibodies against thyroid peroxidase and thyroglobulin. In this review, we present the metabolic profile, the effectiveness of micronutrient supplementation and the impact of dietary management in patients with HT. For this current literature review, the databases PubMed, Cochrane, Medline and Embase were reviewed from the last ten years until March 2022. This article provides a comprehensive overview of recent randomized controlled trials, meta-analyses, and clinical trials. Many patients with HT, even in the euthyroid state, have excess body weight, metabolic disorders, and reduced quality of life. Due to frequent concomitant nutritional deficiencies, the role of vitamin D, iodine, selenium, magnesium, iron and vitamin B12 is currently debated. Several studies have underlined the benefits of vitamin D and selenium supplementation. There is still no specific diet recommended for patients with HT, but a protective effect of an anti-inflammatory diet rich in vitamins and minerals and low in animal foods has been suggested. There is insufficient evidence to support a gluten-free diet for all HT patients. Pharmacotherapy, along with appropriate nutrition and supplementation, are important elements of medical care for patients with HT. The abovementioned factors may decrease autoantibody levels, improve thyroid function, slow down the inflammatory process, maintain proper body weight, relieve symptoms, and prevent nutritional deficiencies and the development of metabolic disorders in patients with HT.
The Influence of Annealing Temperature on the Morphology of Structures and the Mechanical Properties of Prequenching—Quenching and Partitioning Steel
Authors: Xu Deming , Cheng Yuanyao , Yang Gengwei , Zhao Gang , Bao Siqian
Published: June 2022

In this study, we comparatively study the microstructures and mechanical properties of prequenching—quenching and partitioning (QQ&P) and traditional Q&P samples at different annealing temperatures (intercritical annealing temperatures). When the annealing temperature is 780 °C, the ferrite and retained austenite in QQ&P samples with lath and blocky morphologies. The lath retained austenite is mainly distributed along the lath ferrite. As the annealing temperature increases, the lath ferrite recrystallizes and gradually grows into the blocky (equiaxed) shape, leading to a decrease in the lath retained austenite content. When the annealing temperature increases to 870 °C, the ferrite content decreases significantly, and the retained austenite is mainly blocky and thin film, distributed at the boundaries of prior austenite grains and between martensite laths, respectively. Different from QQ&P samples, the ferrite and retained austenite in Q&P samples are mainly blocky when the annealing temperature is 780 °C or 810 °C. When the annealing temperature is increased to 870 °C, the microstructures of the Q&P sample are basically the same as that of the QQ&P sample. The 780 °C-QQ&P sample and the 810 °C-QQ&P sample have higher total elongation and product of strength and elongations (PSEs) than their counterpart Q&P samples due to the fact that lath ferrite and retained austenite are conducive to carbon diffusion and carbon homogenization in austenite grains, thereby improving the thermal stability and volume fraction of the retained austenite. In addition, the lath structures can release local stress concentration and delay the formation of voids and microcracks. The difference of mechanical properties between QQ&P samples and Q&P samples decreases with the increase in the annealing temperature. The results show that the low annealing temperature combined with prequenching—Q&P heat treatments can significantly improve the elongation and PSE of Q&P steel.
Experimental Investigation of Special-Shaped Concrete-Filled Square Steel Tube Composite Columns with Steel Hoops under Axial Loads
Authors: Wang Zhen , Liu Zhe , Zhou Xuejun
Published: June 2022

Special-shaped concrete-filled steel tube (SS-CFST) columns can be embedded in the wall, thus preventing the columns from protruding. This feature makes it popular in steel residential buildings. This paper proposes a new special-shaped concrete-filled square steel tube (SS-CFSST) composite column composed of multiple square steel tubes connected by steel hoops to form L-, T- or cross-shaped sections. Eight specimens were tested under axial loads with section shape, construction method, slenderness ratio, steel tube thickness, and steel strength as variation parameters. The structural performance, such as failure modes, peak load, load–displacement curves, load–strain curves, and Poisson’s ratio of the steel tubes, were analyzed. The tests illustrated that the failure modes of hoop-type specimens and weld-type stub columns were mainly the local buckling of steel tubes and bending failure, and those of the weld-type slender columns were mainly overall bending failure. The load-carrying capacity of the hoop-type specimen was higher than that of the weld-type specimen with the same cross-sectional dimensions and slenderness ratio. Next, the stress–strain relationship model of core concrete in the SS-CFSST composite column was established by considering the restraint effect of the connection coincidence area of steel tubes and steel hoops on concrete. Additionally, the finite element model (FEM) of the column was established using this constitutive model. By comparing the failure modes, load–strain curves and bearing capacities obtained from the tests and FEM, the established FEM can accurately evaluate the mechanical properties of SS-CFSST composite columns with steel hoops under axial compression.
Comparative Analysis of Waste Materials for Their Potential Utilization in Green Concrete Applications
Authors: Kumar Kaushal , Dixit Saurav , Arora Rishabh , Vatin Nikolai Ivanovich , Singh Jarnail , Soloveva Olga V. , Ilyashenko Svetlana B. , John Vinod , Buddhi Dharam
Published: June 2022

The utilization of solid waste in useful product is becoming a great deal of worth for individuals, organizations, and countries themselves. The powder of waste glass and silica fumes are also considered major waste materials across the globe. In this paper, the physico-chemical, thermal, and morphological properties of both waste powders are investigated in order to determine their suitability for use as a partial replacement for cement in basic concrete. They are suitable for use in concrete due to their pozzolanic and other basic properties. Extensive testing, in terms of the compressive strength test, the slump test, and the flexural strength test, has been carried out to study the replacement of cement in the range of 5–15% by waste glass powder for curing ages of 7 and 28 days. The FTIR analyses of both materials are studied for determining the effect of characteristics of chemical bonding and intense bands with bending vibrations of O–Si–O bonds. Experimental results indicate towards the potential utilization of wastes in concrete in terms of green concrete.
The Kinetics of Pyrite Dissolution in Nitric Acid Solution
Authors: Teimouri Samaneh , Potgieter Johannes Herman , van Dyk Lizelle , Billing Caren
Published: June 2022

Refractory sulphidic ore with gold captured in pyrite has motivated researchers to find efficient means to break down pyrite to make gold accessible and, ultimately, improve gold extraction. Thus, the dissolution of pyrite was investigated to understand the mechanism and find the corresponding kinetics in a nitric acid solution. To carry this out, the temperature (25 to 85 °C), nitric acid concentration (1 to 4 M), the particle size of pyrite from 53 to 212 µm, and different stirring speeds were examined to observe their effect on pyrite dissolution. An increase in temperature and nitric acid concentration were influential parameters to obtaining a substantial improvement in pyrite dissolution (95% Fe extraction achieved). The new shrinking core equation (1/3ln (1 − X) + [(1 − X)−1/3 − 1)]) = kt) fit the measured rates of dissolution well. Thus, the mixed–controlled kinetics model describing the interfacial transfer and diffusion governed the reaction kinetics of pyrite. The activation energies (Ea) were 145.2 kJ/mol at 25–45 °C and 44.3 kJ/mol at higher temperatures (55–85 °C). A semiempirical expression describing the reaction of pyrite dissolution under the conditions studied was proposed: 1/3ln(1 − X) + [(1 − X)−1/3 − 1)] = 88.3 [HNO3]2.6 r0−1.3 e−44280/RT t. The solid residue was analysed using SEM, XRD, and Raman spectrometry, which all identified sulphur formation as the pyrite dissolved. Interestingly, two sulphur species, i.e., S8 and S6, formed during the dissolution process, which were detected using XRD Rietveld refinement.
Biological Activity of Natural and Synthetic Compounds
Authors: Granchi Carlotta
Published: June 2022

A drug discovery program starts when a disease or clinical condition has no suitable drugs [...]
Quercetin-Rich Ethanolic Extract of Polygonum odoratum var Pakphai Leaves Decreased Gene Expression and Secretion of Pro-Inflammatory Mediators in Lipopolysaccharide-Induced Murine RAW264.7 Macrophages
Authors: Chansiw Nittaya , Champakam Sorraya , Chusri Pattranuch , Pangjit Kanjana , Srichairatanakool Somdet
Published: June 2022

Polygonum odoratum var. Pakphai has been used in traditional Thai medicine for the treatment of flatulence and constipation and to relieve the inflammation caused by insect bites. Quercetin (Q), which is abundant in plant-based foods, has been found to exert anti-inflammatory properties. This study evaluated the anti-inflammatory activity of P. odoratum ethanolic extract in RAW264.7 macrophage cells. Leaves were extracted with 50% ethanol, phenolics and flavonoids were then analyzed using UHPLC-QTOF-MS and HPLC-DAD. RAW264.7 cells were induced with lipopolysaccharides (LPSs). They were then treated with the extract and prostaglandin E2 (PGE2), and interleukin-6 (IL-6) and tumor necrotic factor-alpha (TNF-α) concentrations were determined. Levels of cyclooxygenase-2 (COX-2), inducible nitric oxide synthase (iNOS), IL-6 and TNF-α mRNAs were analyzed using qRT-PCR. Chemical analysis demonstrated that the extract was abundant with Q while also containing catechin, gallic acid, epicatechin gallate and coumarin. The extract increased the viability of RAW264.7 cells and dose-dependently decreased nitric oxide production, PGE2, IL-6 and TNF-α levels in the medium from the LPS-induced RAW264.7 cell culture. Consistently, COX-2, iNOS, IL-6 and TNF-α mRNA levels were decreased in a concentration-dependent manner (p < 0.05). Thus, the quercetin-rich ethanolic extract derived from P. odoratum var Pakphai leaves can exert anti-inflammatory activity in LPS-induced RAW264.7 cells through a reduction of the pro-inflammatory mediator response.
Analytical Performance and Greenness Evaluation of Five Multi-Level Design Models Utilized for Impurity Profiling of Favipiravir, a Promising COVID-19 Antiviral Drug
Authors: Ibrahim Adel Ehab , Sharaf Yasmine Ahmed , El Deeb Sami , Sayed Rania Adel
Published: June 2022

In 2018, the discovery of carcinogenic nitrosamine process related impurities (PRIs) in a group of widely used drugs led to the recall and complete withdrawal of several medications that were consumed for a long time, unaware of the presence of these genotoxic PRIs. Since then, PRIs that arise during the manufacturing process of the active pharmaceutical ingredients (APIs), together with their degradation impurities, have gained the attention of analytical chemistry researchers. In 2020, favipiravir (FVR) was found to have an effective antiviral activity against the SARS-COVID-19 virus. Therefore, it was included in the COVID-19 treatment protocols and was consequently globally manufactured at large-scales during the pandemic. There is information indigence about FVR impurity profiling, and until now, no method has been reported for the simultaneous determination of FVR together with its PRIs. In this study, five advanced multi-level design models were developed and validated for the simultaneous determination of FVR and two PRIs, namely; (6-chloro-3-hydroxypyrazine-2-carboxamide) and (3,6-dichloro-pyrazine-2-carbonitrile). The five developed models were classical least square (CLS), principal component regression (PCR), partial least squares (PLS), genetic algorithm-partial least squares (GA-PLS), and artificial neural networks (ANN). Five concentration levels of each compound, chosen according to the linearity range of the target analytes, were used to construct a five-level, three-factor chemometric design, giving rise to twenty-five mixtures. The models resolved the strong spectral overlap in the UV-spectra of the FVR and its PRIs. The PCR and PLS models exhibited the best performances, while PLS proved the highest sensitivity relative to the other models.
Quantum Dot Nanobead-Based Fluorescence-Linked Immunosorbent Assay for Detection of Glycinin in Soybeans and Soy Products
Authors: Song Qinglong , Liu Anguo , Zhang Shimin , Li Runxian , Qiao Shiyan , He Pingli
Published: June 2022

Soybean glycinin, as a major soybean allergen, is difficult to accurately quantify due to its large molecular weight and complex structure. CdSe/ZnS quantum dot nanobead (QB) is a core/shell fluorescent nanomaterial with strong fluorescent signals and high sensitivity at 630 nm. An immunosorbent assay based on CdSe/ZnS quantum dot nanobeads (QBs-FLISA) was developed for the glycinin quantification in soybean and soybean products. Here, the purified glycinin was coated on the microporous plate to serve as the coating antigen, and CdSe/ZnS nanobead conjugated with anti-glycinin polyclonal antibodies was used as fluorescent detection probe. The target glycinin in the sample and the coated antigen on the plate competitively adsorbed the antibody labeled the CdSe/ZnS QBs probes. The limits of detection and quantitation for glycinin were 0.035 and 0.078 μg mL−1, respectively. The recoveries of the spiked samples ranged from 89.8% to 105.6%, with relative standard deviation less than 8.6%. However, compared with ELISA, the sensitivities of QBs-FLISA for the detection of glycinin were increased by 7 times, and the detection time was shortened by two-thirds. This QBs-FLISA method has been effectively applied to the detection of soybean seeds with different varieties and soy products with different processing techniques, which will provide a rapid screening method for soybean and soybean products with low allergens.
Investigation of the Uptake and Transport of Two Novel Camptothecin Derivatives in Caco-2 Cell Monolayers
Authors: Wang Yi , Zhang Xiangli , Zhuang Wenya , Yu Yanlei , Sun Xuanrong , Wang Hong , Li Fengzhi , Li Qingyong
Published: June 2022

Irinotecan and Topotecan are two Camptothecin derivatives (CPTs) whose resistance is associated with the high expression of breast cancer resistance protein (BCRP) and P-glycoprotein (P-gp). To reverse this resistance, two novel CPTs, FL77-28 (7-(3-Fluoro-4-methylphenyl)-10,11-methylenedioxy-20(S)-CPT) and FL77-29 (7-(4-Fluoro-3-methylphenyl)-10,11-methylenedioxy-20(S)-CPT), were synthesized by our group. In this study, the anti-tumor activities of FL77-28, FL77-29, and their parent, FL118 (10,11-methylenedioxy-20(S)-CPT), were evaluated and the results showed that FL77-28 and FL77-29 had stronger anti-tumor activities than FL118. The transport and uptake of FL118, FL77-28, and FL77-29 were investigated in Caco-2 cells for the preliminary prediction of intestinal absorption. The apparent permeability coefficient from apical to basolateral (Papp AP-BL) values of FL77-28 and FL77-29 were (2.32 ± 0.04) × 10−6 cm/s and (2.48 ± 0.18) × 10−6 cm/s, respectively, suggesting that the compounds had moderate absorption. Since the transport property of FL77-28 was passive diffusion and the efflux ratio (ER) was less than 2, two chemical inhibitors were added to further confirm the involvement of efflux proteins. The results showed that FL77-28 was not a substrate of P-gp or BCRP, but FL77-29 was mediated by P-gp. In conclusion, FL77-28 might be a promising candidate to overcome drug resistance induced by multiple efflux proteins.
Designing Novel Strategy to Produce Active Nanohybrids in Sunlight for Purification of Water Based on Inorganic Nanolayers, Magnetic Nanocomposites and Organic Species
Authors: Saber Osama , Osama Mostafa , Shaalan Nagih M. , Osama Aya , Alshoaibi Adil , Osama Doaa
Published: June 2022

Energy and water related problems have attracted strong attention from scientists across the world because of deficient energy and water pollution. Following this line, new strategy depended on preparing nanolayers of Al/Zn and magnetic nanoparticles of cobalt iron oxides nanocomposite in addition to long chains of hydrocarbons of stearic acid to be used as roofs, fillers and pillars; respectively, to design optical-active nanohybrids in sunlight for removing the colored pollutants from water in few minutes. By using long chains of hydrocarbons of stearic acid, X-ray diffraction (XRD) results and TEM images showed expansion of the interlayered spacing from 0.76 nm to 2.02 nm and insertion of magnetic nanoparticles among the nanolayers of Al/Zn. The optical properties and activities showed that the nanohybrid structure based on zinc oxide led to clear reduction of the band gap energy from 3.3 eV to 2.75 eV to be effective in sunlight. Photocatalytic degradation of the dye of acid green 1 confirmed the high activity of the prepared zinc oxide nanohybrids because of a complete removal of the dye after ten minutes in sunlight. Finally, this strategy was effective for producing photo-active nanohybrids for using renewable and non-polluting energy for purifying water.
Fluorescent Immunoassay with a Copper Polymer as the Signal Label for Catalytic Oxidation of O-Phenylenediamine
Authors: Feng Yunxiao , Liu Gang , Zhang Chunhuan , Li Jinrui , Li Yuanyuan , Liu Lin
Published: June 2022

This work suggested that Cu2+ ion coordinated by the peptide with a histidine (His or H) residue in the first position from the free N-terminal reveals oxidase-mimicking activity. A biotinylated polymer was prepared by modifying His residues on the side chain amino groups of lysine residues (denoted as KH) to chelate multiple Cu2+ ions. The resulting biotin-poly-(KH-Cu)20 polymer with multiple catalytic sites was employed as the signal label for immunoassay. Prostate specific antigen (PSA) was determined as the model target. The captured biotin-poly-(KH-Cu)20 polymer could catalyze the oxidation of o-phenylenediamine (OPD) to produce fluorescent 2,3-diaminophenazine (OPDox). The signal was proportional to PSA concentration from 0.01 to 2 ng/mL, and the detection limit was found to be eight pg/mL. The high sensitivity of the method enabled the assays of PSA in real serum samples. The work should be valuable for the design of novel biosensors for clinical diagnosis.
DNA Interaction, DNA Photocleavage, Photocytotoxicity In Vitro, and Molecular Docking of Naphthyl-Appended Ruthenium Complexes
Authors: Hu Xia , Luo Qian , Qin Yao , Wu Yao , Liu Xue-Wen
Published: June 2022

With the development of metal-based drugs, Ru(II) compounds present potential applications of PDT (photodynamic therapy) and anticancer reagents. We herein synthesized two naphthyl-appended ruthenium complexes by the combination of the ligand with naphthyl and bipyridyl. The DNA affinities, photocleavage abilities, and photocytotoxicity were studied by various spectral methods, viscosity measurement, theoretical computation method, gel electrophoresis, and MTT method. Two complexes exhibited strong interaction with calf thymus DNA by intercalation. Production of singlet oxygen (1O2) led to obvious DNA photocleavage activities of two complexes under 365 nm light. Furthermore, two complexes displayed obvious photocytotoxicity and low dark cytotoxicity towards Hela, A549, and A375 cells.
Neuroprotective Effect of Yucca schidigera Roezl ex Ortgies Bark Phenolic Fractions, Yuccaol B and Gloriosaol A on Scopolamine-Induced Memory Deficits in Zebrafish
Authors: Pecio Łukasz , Kozachok Solomiia , Brinza Ion , Boiangiu Razvan Stefan , Hritcu Lucian , Mircea Cornelia , Burlec Ana Flavia , Cioanca Oana , Hancianu Monica , Wronikowska-Denysiuk Olga , Skalicka-Woźniak Krystyna , Oleszek Wiesław
Published: June 2022

Y. schidigera contains a number of unusual polyphenols, derivatives of resveratrol and naringenin, called spiro-flavostilbenoids, which have potent in vitro anti-inflammatory, antioxidant, and moderate cholinesterase inhibitory activities. To date, these compounds have not been tested in vivo for the treatment of neurodegenerative diseases. The aim of the present study was to evaluate the effects of both single spiro-flavostilbenoids (yuccaol B and gloriosaol A) and phenolic fractions derived from Y. schidigera bark on scopolamine-induced anxiety and memory process deterioration using a Danio rerio model. Detailed phytochemical analysis of the studied fractions was carried out using different chromatographic techniques and Nuclear Magnetic Resonance (NMR). The novel tank diving test was used as a method to measure zebrafish anxiety, whereas spatial working memory function was assessed in Y-maze. In addition, acetylcholinesterase/butyrylcholinesterase (AChE/BChE) and 15-lipooxygenase (15-LOX) inhibition tests were performed in vitro. All pure compounds and fractions under study exerted anxiolytic and procognitive action. Moreover, strong anti-oxidant capacity was observed, whereas weak inhibition towards cholinesterases was found. Thus, we may conclude that the observed behavioral effects are complex and result rather from inhibition of oxidative stress processes and influence on cholinergic muscarinic receptors (both 15-LOX and scopolamine assays) than effects on cholinesterases. Y. schidigera is a source of substances with desirable properties in the prevention and treatment of neurodegenerative diseases.
Poly(o-methoxyaniline) Chain Degradation Based on a Heat Treatment (HT) Process: Combined Experimental and Theoretical Evaluation
Authors: da Silva Jéssica Montenegro Santana , de Souza Carolino Adriano , de Oliveira Lilian Rodrigues , de Souza Gonçalves Douglas , Biondo Matheus Moraes , Campelo Pedro Henrique , de Araújo Bezerra Jaqueline , Ţălu Ştefan , da Fonseca Filho Henrique Duarte , da Frota Hidembergue Ordozgoith , Sanches Edgar Aparecido
Published: June 2022

Poly(o-methoxyaniline) emeraldine-salt form (ES-POMA) was chemically synthesized using hydrochloric acid and subjected to a heat treatment (HT) process for 1 h at 100 °C (TT100) and 200 °C (TT200). The HT process promoted a progressive decrease in crystallinity. The Le Bail method revealed a decomposition from tetrameric to trimeric-folded chains after the HT process. The unheated POMA-ES presented a globular vesicular morphology with varied micrometric sizes. The heat treatment promoted a reduction in these globular structures, increasing the non-crystalline phase. The boundary length (S) and connectivity/Euler feature (χ) parameters were calculated from the SEM images, revealing that ES-POMA presented a wide distribution of heights. The TT100 and TT200 presented a narrow boundary distribution, suggesting smoother surfaces with smaller height variations. The UV-VIS analysis revealed that the transition at 343 nm (nonlocal π → π*) was more intense in the TT200 due to the electronic delocalization, which resulted from the reduced polymer chain caused by the HT process. In addition to the loss of conjugation, counter ion withdrawal reduced the ion-chain interaction, decreasing the local electron density. This result shows the influence of the chlorine counter ions on the peaks position related to the HOMO → LUMO transition, since the π → polaron transition occurs due to the creation of the energy states due to the presence of counter ions. Finally, the electrical conductivity decreased after the HT process from 1.4 × 10−4 S.cm−1 to 2.4 × 10−6 S.cm−1 as result of the polymer deprotonation/degradation. Thus, this paper proposed a systematic evaluation of the POMA molecular structure and crystallite size and shape after heat treatment.
Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors
Authors: Omar Alaa Z. , Alshaye Najla A. , Mosa Tawfik M. , El-Sadany Samir K. , Hamed Ezzat A. , El-Atawy Mohamed A.
Published: June 2022

A new N,N′-disubstituted piperazine conjugated with 1,3,4-thiadiazole and 1,2,4-triazole was prepared and the chemical structures were identified by IR, NMR and elemental analysis. All the prepared compounds were tested for their antimicrobial activity. The antimicrobial results indicated that the tested compounds showed significant antibacterial activity against gram-negative strains, especially E. coli, relative to gram-positive bacteria. Docking analysis was performed to support the biological results; binding modes with the active site of enoyl reductase amino acids from E. coli showed very good scores, ranging from −6.1090 to −9.6184 kcal/mol. Correlation analysis was performed for the inhibition zone (nm) and the docking score.
Amphiphilicity-Controlled Localization of Red Emitting Bicationic Fluorophores in Tumor Cells Acting as Bio-Probes and Anticancer Drugs
Authors: Cesaretti Alessio , Mencaroni Letizia , Bonaccorso Carmela , Botti Valentina , Calzoni Eleonora , Carlotti Benedetta , Fortuna Cosimo Gianluca , Montegiove Nicolò , Spalletti Anna , Elisei Fausto
Published: June 2022

Small organic molecules arouse lively interest for their plethora of possible biological applications, such as anticancer therapy, for their ability to interact with nucleic acids, or bioimaging, thanks to their fluorescence emission. Here, a panchromatic series of styryl-azinium bicationic dyes, which have already proved to exhibit high water-solubility and significant red fluorescence in water, were investigated through spectrofluorimetric titrations to assess the extent of their association constants with DNA and RNA. Femtosecond-resolved transient absorption spectroscopy was also employed to characterize the changes in the photophysical properties of these fluorophores upon interaction with their biological targets. Finally, in vitro experiments conducted on tumor cell lines revealed that some of the bicationic fluorophores had a peculiar localization within cell nuclei exerting important antiproliferative effects, others were instead found to localize in the cytoplasm without leading to cell death, being useful to mark specific organelles in light of live cell bioimaging. Interestingly, this molecule-dependent behavior matched the different amphiphilicity featured by these bioactive compounds, which are thus expected to be caught in a tug-of-war between lipophilicity, ensured by the presence of aromatic rings and needed to pass cell membranes, and hydrophilicity, granted by charged groups and necessary for stability in aqueous media.
Ultrastructural Damages to H1N1 Influenza Virus Caused by Vapor Essential Oils
Authors: Madia Valentina Noemi , Toscanelli Walter , De Vita Daniela , De Angelis Marta , Messore Antonella , Ialongo Davide , Scipione Luigi , Tudino Valeria , D’Auria Felicia Diodata , Di Santo Roberto , Garzoli Stefania , Stringaro Annarita , Colone Marisa , Marchetti Magda , Superti Fabiana , Nencioni Lucia , Costi Roberta
Published: June 2022

Influenza viruses are transmitted from human to human via airborne droplets and can be transferred through contaminated environmental surfaces. Some works have demonstrated the efficacy of essential oils (EOs) as antimicrobial and antiviral agents, but most of them examined the liquid phases, which are generally toxic for oral applications. In our study, we describe the antiviral activity of Citrus bergamia, Melaleuca alternifolia, Illicium verum and Eucalyptus globulus vapor EOs against influenza virus type A. In the vapor phase, C. bergamia and M. alternifolia strongly reduced viral cytopathic effect without exerting any cytotoxicity. The E. globulus vapor EO reduced viral infection by 78% with no cytotoxicity, while I. verum was not effective. Furthermore, we characterized the EOs and their vapor phase by the head-space gas chromatography–mass spectrometry technique, observing that the major component found in each liquid EO is the same one of the corresponding vapor phases, with the exception of M. alternifolia. To deepen the mechanism of action, the morphological integrity of virus particles was checked by negative staining transmission electron microscopy, showing that they interfere with the lipid bilayer of the viral envelope, leading to the decomposition of membranes. We speculated that the most abundant components of the vapor EOs might directly interfere with influenza virus envelope structures or mask viral structures important for early steps of viral infection.
Functionalization of Pasteurized Milk Using Rosemary, Thyme, and Ammoides Aqueous Extracts for Better Microbial Quality and an Improved Antioxidant Activity
Authors: Jalloul Amel Ben , Ayadi Nourhene , Klai Amira , Abderrabba Manef
Published: June 2022

This study aimed to evaluate the effects of thyme (Thymus vulgaris L.), rosemary (Rosmarinus officinalis L.), and ammoides (Ammoidespusilla L.) aqueous extracts supplementation on the quality of heat-treated (55, 65, and 75 °C) raw milk (sample lots: A, B, and C) and cold-stored pasteurized milk (lot D). The three herbs have shown rich polyphenol contents (32.65–104.23 mgGAE/g), relevant antioxidant capacity, and high caffeic and rosmarinic acids and catechin contents. A significant reduction in psychrotrophic and total viable bacteria counts (PC and TVC) was attained following milk extract supplementation in both experiments. Monitoring PC and TVC counts in sample lots (A, B, and C) has revealed a significant improvement in extracts’ effectiveness in reducing the TVC count with the increment of temperature. The highest reductions of PC and TVC counts were achieved, respectively, in samples treated with thyme and rosemary in (lots: A, B, and C) and in samples treated with ammoides and thyme in (lot D). Thyme extract showed the highest milk serum DPPH scavenging activity (74.84% at 0.1 mg/mL) and induced a significant Listeria monocytogenes growth inhibition (>1 Log cycle). The sensory evaluation of supplemented milk has shown good consumer acceptability of ammoides-supplemented milk, quite similar to the control sample.
Facile Synthesis of Functionalized Phenoxy Quinolines: Antibacterial Activities against ESBL Producing Escherichia coli and MRSA, Docking Studies, and Structural Features Determination through Computational Approach
Authors: Arshad Mahwish , Rasool Nasir , Qamar Muhammad Usman , Shah Syed Adnan Ali , Zakaria Zainul Amiruddin
Published: June 2022

The synthesis of new 6-Bromoquinolin-4-ol derivatives (3a–3h) by Chan–Lam coupling utilizing different types of solvents (protic, aprotic, and mixed solvents) and bases was studied in the present manuscript. Furthermore, their potential against ESBL producing Escherichia coli (ESBL E. coli) and methicillin-resistant Staphylococcusaureus (MRSA) were investigated. Commercially available 6-bromoquinolin-4-ol (3a) was reacted with different types of aryl boronic acids along with Cu(OAc)2 via Chan–Lam coupling methodology utilizing the protic and aprotic and mixed solvents. The molecules (3a–3h) exhibited very good yields with methanol, moderate yields with DMF, and low yields with ethanol solvents, while the mixed solvent CH3OH/H2O (8:1) gave more excellent results as compared to the other solvents. The in vitro antiseptic values against ESBL E. coli and MRSA were calculated at five different deliberations (10, 20, 30, 40, 50 mg/well) by agar well diffusion method. The molecule 3e depicted highest antibacterial activity while compounds 3b and 3d showed low antibacterial activity. Additionally, MIC and MBC standards were calculated against the established bacteria by broth dilution method. Furthermore, a molecular docking investigation of the derivatives (3a–3h) were performed. Compound (3e) was highly active and depicted the least binding energy of −5.4. Moreover, to investigate the essential structural and physical properties, the density functional theory (DFT) findings of the synthesized molecules were accomplished by using the basic set PBE0-D3BJ/def2-TZVP/SMD water level of the theory. The synthesized compounds showed an energy gap from 4.93 to 5.07 eV.
Frustrated Lewis Pairs in Heterogeneous Catalysis: Theoretical Insights
Authors: Wan Qiang , Lin Sen , Guo Hua
Published: June 2022

Frustrated Lewis pair (FLP) catalysts have attracted much recent interest because of their exceptional ability to activate small molecules in homogeneous catalysis. In the past ten years, this unique catalysis concept has been extended to heterogeneous catalysis, with much success. Herein, we review the recent theoretical advances in understanding FLP-based heterogeneous catalysis in several applications, including metal oxides, functionalized surfaces, and two-dimensional materials. A better understanding of the details of the catalytic mechanism can help in the experimental design of novel heterogeneous FLP catalysts.
Optimization of Naringenin Nanoparticles to Improve the Antitussive Effects on Post-Infectious Cough
Authors: Dong Zhengqi , Wang Xiangtao , Wang Mingyue , Wang Rui , Meng Zheng , Wang Xiaotong , Yu Bo , Han Meihua , Guo Yifei
Published: June 2022

Naringenin (NRG) is a natural compound with several biological activities; however, its bioavailability is limited owing to poor aqueous solubility. In this study, NRG nanoparticles (NPs) were prepared using the wet media milling method. To obtain NRG NPs with a small particle size and high drug-loading content, the preparation conditions, including stirring time, temperature, stirring speed, and milling media amount, were optimized. The NRG (30 mg) and D-α-tocopherol polyethylene glycol succinate (10 mg) were wet-milled in deionized water (2 mL) with 10 g of zirconia beads via stirring at 50 °C for 2 h at a stirring speed of 300 rpm. As a result, the NRG NPs, with sheet-like morphology and a diameter of approximately 182.2 nm, were successfully prepared. The NRG NPs were stable in the gastrointestinal system and were released effectively after entering the blood circulation. In vivo experiments indicated that the NRG NPs have good antitussive effects. The cough inhibition rate after the administration of the NRG NPs was 66.7%, cough frequency was three times lower, and the potential period was 1.8 times longer than that in the blank model group. In addition, the enzyme biomarkers and histological analysis results revealed that the NRG NPs can effectively regulate the inflammatory and oxidative stress response. In conclusion, the NRG NPs exhibited good oral bioavailability and promoted antitussive and anti-inflammatory effects.
Influence of Hexagonal Boron Nitride on Electronic Structure of Graphene
Authors: Liu Jingran , Luo Chaobo , Lu Haolin , Huang Zhongkai , Long Guankui , Peng Xiangyang
Published: June 2022

By performing first-principles calculations, we studied hexagonal-boron-nitride (hBN)-supported graphene, in which moiré structures are formed due to lattice mismatch or interlayer rotation. A series of graphene/hBN systems has been studied to reveal the evolution of properties with respect to different twisting angles (21.78°, 13.1°, 9.43°, 7.34°, 5.1°, and 3.48°). Although AA- and AB-stacked graphene/hBN are gapped at the Dirac point by about 50 meV, the energy gap of the moiré graphene/hBN, which is much more asymmetric, is only about several meV. Although the Dirac cone of graphene residing in the wide gap of hBN is not much affected, the calculated Fermi velocity is found to decrease with the increase in the moiré super lattice constant due to charge transfer. The periodic potential imposed by hBN modulated charge distributions in graphene, leading to the shift of graphene bands. In agreement with experiments, there are dips in the calculated density of states, which get closer and closer to the Fermi energy as the moiré lattice grows larger.
Cancer-Related Somatic Mutations in Transmembrane Helices Alter Adenosine A1 Receptor Pharmacology
Authors: Wang Xuesong , Jespers Willem , Wolff Kim A. N. , Buytelaar Jill , IJzerman Adriaan P. , van Westen Gerard J. P. , Heitman Laura H.
Published: June 2022

Overexpression of the adenosine A1 receptor (A1AR) has been detected in various cancer cell lines. However, the role of A1AR in tumor development is still unclear. Thirteen A1AR mutations were identified in the Cancer Genome Atlas from cancer patient samples. We have investigated the pharmacology of the mutations located at the 7-transmembrane domain using a yeast system. Concentration–growth curves were obtained with the full agonist CPA and compared to the wild type hA1AR. H78L3.23 and S246T6.47 showed increased constitutive activity, while only the constitutive activity of S246T6.47 could be reduced to wild type levels by the inverse agonist DPCPX. Decreased constitutive activity was observed on five mutant receptors, among which A52V2.47 and W188C5.46 showed a diminished potency for CPA. Lastly, a complete loss of activation was observed in five mutant receptors. A selection of mutations was also investigated in a mammalian system, showing comparable effects on receptor activation as in the yeast system, except for residues pointing toward the membrane. Taken together, this study will enrich the view of the receptor structure and function of A1AR, enlightening the consequences of these mutations in cancer. Ultimately, this may provide an opportunity for precision medicine for cancer patients with pathological phenotypes involving these mutations.
Extraction of Pectin from Satsuma Mandarin Peel: A Comparison of High Hydrostatic Pressure and Conventional Extractions in Different Acids
Authors: Duan Xingke , Zhu Yu , Shu Congying , Gao Jihui , Liu Fengxia , Pan Siyi
Published: June 2022

Satsuma mandarin peel pectin was extracted by high hydrostatic pressure-assisted citric acid (HHPCP) or hydrochloric acid (HHPHP), and the physiochemical, structural, rheological and emulsifying characteristics were compared to those from conventional citric acid (CCP) and hydrochloric acid (CHP). Results showed that HHP and citric acid could both increase the pectin yield, and HHPCP had the highest yield (18.99%). Structural characterization, including NMR and FTIR, demonstrated that HHPHP showed higher Mw than the other pectins. The viscosity of the pectin treated with HHP was higher than that obtained with the conventional method, with HHPHP exhibiting significantly higher viscosity. Interestingly, all the pectin emulsions showed small particle mean diameters (D4,3 being 0.2–1.3 μm) and extremely good emulsifying stability with centrifugation and 30-day storage assays, all being 100%. Satsuma mandarin peel could become a highly promising pectin source with good emulsifying properties, and HHP-assisted acid could be a more efficient method for pectin extraction.
Quantification of Aluminum Gallium Arsenide (AlGaAs) Wafer Plasma Using Calibration-Free Laser-Induced Breakdown Spectroscopy (CF-LIBS)
Authors: Alrebdi Tahani A. , Fayyaz Amir , Asghar Haroon , Zaman Asif , Asghar Mamoon , Alkallas Fatemah H. , Hussain Atif , Iqbal Javed , Khan Wilayat
Published: June 2022

In this work, we report the results of the compositional analysis of an aluminum gallium arsenide (AlGaAs) sample using the calibration-free laser-induced breakdown spectroscopy (CF-LIBS) technique. The AlGaAs sample was doped with three various concentrations of gallium (Ga), arsenic (As), and aluminum (Al), as reported by the manufacturer, and the CF-LIBS technique was employed to identify the doping concentration. A pulsed Q-switched Nd: YAG laser capable of delivering 200 and 400 mJ energy at 532 and 1064 nm, respectively, was focused on the target sample for ablation, and the resulting emission spectra were captured using a LIBS 2000+ spectrometer covering the spectral range from 200 to 720 nm. The emission spectra of the AlGaAs sample yielded spectral lines of Ga, As, and Al. These lines were further used to calculate the plasma parameters, including electron temperature and electron number density. The Boltzmann plot method was used to calculate the electron temperature, and the average electron temperature was found to be 5744 ± 500 K. Furthermore, the electron number density was calculated from the Stark-broadened line profile method, and the average number density was calculated to be 6.5 × 1017 cm−3. It is further observed that the plasma parameters including electron temperature and electron number density have an increasing trend with laser irradiance and a decreasing trend along the plume length up to 2 mm. Finally, the elemental concentrations in terms of weight percentage using the CF-LIBS method were calculated to be Ga: 94%, Al: 4.77% and As: 1.23% for sample-1; Ga: 95.63%, Al: 1.15% and As: 3.22% for sample-2; and Ga: 97.32%, Al: 0.69% and As: 1.99% for sample-3. The certified concentrations were Ga: 95%, Al: 3% and As: 2% for sample-1; Ga: 96.05%, Al: 1% and As: 2.95% for sample-2; and Ga: 97.32%, Al: 0.69% and As: 1.99% for sample-3. The concentrations measured by CF-LIBS showed good agreement with the certified values reported by the manufacturer. These findings suggest that the CF-LIBS technique opens up an avenue for the industrial application of LIBS, where quantitative/qualitative analysis of the material is highly desirable.
Microstructure, Electromagnetic Properties, and Microwave Absorption Mechanism of SiO2-MnO-Al2O3 Based Manganese Ore Powder for Electromagnetic Protection
Authors: Cai Rui , Zheng Wei , Yang Pingan , Rao Jinsong , Huang Xin , Wang Dashuang , Du Zhilan , Yao Kexin , Zhang Yuxin
Published: June 2022

Considering the electromagnetic protection needs of important ground buildings, exploring the electromagnetic wave (EMW) absorption performance of manganese ore powder (MOP) building materials is an effective way to overcome its low added value and difficulty in popularizing. Here, choosing filling ratios commonly used in building materials such as autoclaved bricks, MOP/paraffin samples with 20%, 40%, and 60% mass fraction of MOP were prepared, and electromagnetic properties were analyzed at 2–18 GHz using the coaxial method. The results show that 60 wt% sample has the best absorption performance, with a minimum reflection loss (RLmin) value of −22.06 dB at 15.04 GHz, and the effective absorption bandwidth (EAB, RL < −10 dB) reaches 4.16 GHz at a 7.65 mm absorber thickness, covering most of the Ku-band region. The excellent microwave absorption performance of MOP is due to its multi-oxide forming multi-interface structure and rough surface, which can not only form abundant dipole and interfacial polarization under the action of EMW, but also reflect and scatter the incident EMW, prolong the transmission path, and enhanced the absorption of microwaves. This study demonstrates that MOP building materials can have excellent microwave absorption properties, thus becoming a new way to address harmful manganese residue; for example, autoclaved bricks, which can not only improve the added value of manganese residue building materials but also can be consumed on a large scale. It provides a new idea to solve the harm of manganese residue.
Transparent Polymer Opal Thin Films with Intense UV Structural Color
Authors: Rosetta Giselle , Gunn Matthew , Tomes John J. , Butters Mike , Pieschel Jens , Hartmann Frank , Gallei Markus , Finlayson Chris E.
Published: June 2022

We report on shear-ordered polymer photonic crystals demonstrating intense structural color with a photonic bandgap at 270 nm. Our work examines this UV structural color, originating from a low refractive index contrast polymer composite system as a function of the viewing angle. We report extensive characterization of the angle-dependent nature of this color in the form of ‘scattering cones’, which showed strong reflectivity in the 275–315 nm range. The viewing range of the scattering was fully quantified for a number of planes and angles, and we additionally discuss the unique spectral anisotropy observed in these structures. Such films could serve as low-cost UV reflection coatings with applications in photovoltaics due to the fact of their non-photobleaching and robust mechanical behavior in addition to their favorable optical properties.