bluuebunny/crossref_metadata_2025 huggingface dataset:
Antiviral Efficacy of Selected Natural Phytochemicals against SARS-CoV-2 Spike Glycoprotein Using Structure-Based Drug Designing
Authors: Aloufi Bandar Hamad , Snoussi Mejdi , Sulieman Abdel Moneim E.
Published: April 2022

SARS-CoV-2 is a highly virulent coronavirus that first surfaced in late 2019 and has since created a pandemic of the acute respiratory sickness known as “coronavirus disease 2019” (COVID-19), posing a threat to human health and public safety. S-RBD is a coronaviral protein that is essential for a coronavirus (CoV) to bind and penetrate into host cells. As a result, it has become a popular pharmacological target. The goal of this study was to find potential candidates for anti-coronavirus disease 2019 (COVID-19) drugs by targeting severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) S-RBD with novel bioactive compounds and molecular interaction studies of 15,000 phytochemicals belonging to different flavonoid subgroups. A spike protein crystal structure attached to the ACE2 structure was obtained from the PDB database. A library of 15,000 phytochemicals was made by collecting compounds from different databases, such as the Zinc-database, PubChem-database, and MPD3-database. This library was docked against a receptor binding domain of a spike glycoprotein through the Molecular Operating Environment (MOE). The top drug candidates Phylloflavan, Milk thistle, Ilexin B and Isosilybin B, after virtual screening, were selected on the basis of the least binding score. Phylloflavan ranked as the top compound because of its least binding affinity score of −14.09 kcal/mol. In silico studies showed that all those compounds showed good activity and could be used as an immunological response with no bioavailability issues. Absorption, distribution, metabolism, excretion and a toxicological analysis were conducted through SwissADME. Stability and effectiveness of the docked complexes were elucidated by performing the 100 ns molecular dynamic simulation through the Desmond package.
The Effect of Maturity and Extraction Solvents on Bioactive Compounds and Antioxidant Activity of Mulberry (Morus alba) Fruits and Leaves
Authors: Chen Centhyea , Mokhtar Ruzaidi Azli Mohd , Sani Muhamad Shirwan Abdullah , Noor Nor Qhairul Izzreen Mohd
Published: April 2022

Cultivation location, maturity levels, and extraction solvents could affect the bioactive compounds and biological activities of mulberry (Morus alba Linnaeus). The lack of study on Malaysia-grown mulberry causes its underutilization. This study investigated the bioactive compound content and the antioxidant activity of Sabah-grown mulberry at two different maturity stages (fruits: red mature and black fully ripe; leaves: young and mature) extracted using 70% (v/v) methanol, 60% (v/v) ethanol, and 65% (v/v) acetone. Analyses showed that mulberry fruits demonstrated maturity-dependent increment (except UHPLC-DAD quantification), while the leaves revealed maturity-dependent reduction. Principal component analysis (PCA) displayed 65% (v/v) acetone black fully ripe fruits as the best phenolics and antioxidant sources. However, the 60% (v/v) ethanol black fully ripe fruits contained 20.08–68.43% higher total anthocyanins. Meanwhile, the 65% (v/v) acetone and 70% (v/v) methanol red mature fruits were higher in chlorogenic acid (27.53–47.12%) and rutin (31.42–35.92%) than other fruit extracts, respectively. For leaves, 65% (v/v) acetone young leaves were the best phenolics and antioxidant sources. However, the 60% (v/v) ethanol young leaves possessed greater chlorogenic acid (19.56–74.11%) than other leaf extracts. Overall, Malaysia-grown mulberry is rich in phenolics and antioxidants, suggesting its potential application in food and pharmaceutical products.
Distinct Mechanisms of Cytotoxicity in Novel Nitrogenous Heterocycles: Future Directions for a New Anti-Cancer Agent
Authors: Suliman Rasha Saad , Alghamdi Sahar Saleh , Ali Rizwan , Rahman Ishrat , Alqahtani Tariq , Frah Ibrahim K. , Aljatli Dimah A. , Huwaizi Sarah , Algheribe Shatha , Alehaideb Zeyad , Islam Imadul
Published: April 2022

Electron-rich, nitrogenous heteroaromatic compounds interact more with biological/cellular components than their non-nitrogenous counterparts. The strong intermolecular interactions with proteins, enzymes, and receptors confer significant biological and therapeutic properties to the imidazole derivatives, giving rise to a well-known and extensively used range of therapeutic drugs used for infections, inflammation, and cancer, to name a few. The current study investigates the anti-cancer properties of fourteen previously synthesized nitrogenous heterocycles, derivatives of imidazole and oxazolone, on a panel of cancer cell lines and, in addition, predicts the molecular interactions, pharmacokinetic and safety profiles of these compounds. Method: The MTT and CellTiter-Glo® assays were used to screen the imidazole and oxazolone derivatives on six cancer cell lines: HL60, MDA-MB-321, KAIMRC1, KMIRC2, MCF-10A, and HCT8. Subsequently, in vitro tubulin staining and imaging were performed, and the level of apoptosis was measured using the Promega ApoTox-Glo® triplex assay. Furthermore, several computational tools were utilized to investigate the pharmacokinetics and safety profile, including PASS Online, SEA Search, the QikProp tool, SwissADME, ProTox-II, and an in silico molecular docking study on tubulin to identify the critical molecular interactions. Results: In vitro analysis identified compounds 8 and 9 to possess the most significant potent cytotoxic activity on the HL60 and MDA-MB-231 cell lines, supported by PASS Online anti-cancer predictions with pa scores of 0.413 and 0.434, respectively. In addition, compound 9 induced caspase 3/7 dependent-apoptosis and interfered with tubulin polymerization in the MDA-MB-231 cell line, consistent with in silico docking results, identifying binding similarity to the native ligand colchicine. All the derivatives, including compounds 8 and 9, had acceptable pharmacokinetics; however, the safety profile was suboptimal for all the tested derivates except compound 4. Conclusion: The imidazole derivative compound 9 is a promising anti-cancer agent that switches on caspase-dependent apoptotic cell death and modulates microtubule function. Therefore, it could be a lead compound for further drug optimization and development.
The Phenolics and Antioxidant Properties of Black and Purple versus White Eggplant Cultivars
Authors: Colak Nesrin , Kurt-Celebi Aynur , Gruz Jiri , Strnad Miroslav , Hayirlioglu-Ayaz Sema , Choung Myoung-Gun , Esatbeyoglu Tuba , Ayaz Faik Ahmet
Published: April 2022

The total phenolic content, anthocyanins, phenolic acids, antioxidant capacity and α-amylase inhibitory activity of black (Aydin Siyahi), purple (Kadife Kemer) and white (Trabzon Kadife) eggplants grown in Turkey were subjected to a comparative investigation. The black cultivar exhibited the highest total phenolic (17,193 and 6552 mg gallic acid equivalent/kg fw), flavonoid (3019 and 1160 quercetin equivalent/kg fw) and anthocyanin (1686 and 6167 g delphinidin-3-O-glucoside equivalent/kg fw) contents in crude extracts of the peel and pulp. The majority of the caffeic acid was identified in the ester (2830 mg/kg fw) and ester-bound (2594 mg/kg fw) forms in the peel of ‘Kadife Kemer’ and in the glycoside form (611.9 mg/kg fw) in ‘Aydin Siyahi’, as well as in the pulp of these two eggplants. ‘Kadife Kemer’ (purple eggplant) contained the majority of the chlorogenic acid in free form (27.55 mg/kg fw), compared to ‘Aydin Siyahi’ in the ester (7.82 mg/kg fw), glycoside (294.1 mg/kg dw) and ester-bound (2.41 mg/kg fw) forms. The eggplant cultivars (peel and pulp, mg/kg fw) exhibited a relatively high delphinidin-3-O-rutinoside concentration in the peel of ‘Aydin Siyahi’ (avg. 1162), followed by ‘Kadife Kemer’ (avg. 336.6), and ‘Trabzon Kadife’ (avg. 215.1). The crude phenolic extracts of the eggplants exhibited the highest antioxidant capacity values (peel and pulp, µmoL Trolox equivalent/kg fw) of 2,2-diphenyl-1-picrylhydrazyl (DPPH, 8156 and 2335) and oxygen radical absorbance capacity (ORAC, 37,887 and 17,648). The overall results indicate that black and purple eggplants are the cultivars with greater potential benefits in terms of their phenolics and antioxidant values than the white eggplant.
Applications of Tandem Mass Spectrometry (MS/MS) in Protein Analysis for Biomedical Research
Authors: Neagu Anca-Narcisa , Jayathirtha Madhuri , Baxter Emma , Donnelly Mary , Petre Brindusa Alina , Darie Costel C.
Published: April 2022

Mass Spectrometry (MS) allows the analysis of proteins and peptides through a variety of methods, such as Electrospray Ionization-Mass Spectrometry (ESI-MS) or Matrix-Assisted Laser Desorption Ionization-Mass Spectrometry (MALDI-MS). These methods allow identification of the mass of a protein or a peptide as intact molecules or the identification of a protein through peptide-mass fingerprinting generated upon enzymatic digestion. Tandem mass spectrometry (MS/MS) allows the fragmentation of proteins and peptides to determine the amino acid sequence of proteins (top-down and middle-down proteomics) and peptides (bottom-up proteomics). Furthermore, tandem mass spectrometry also allows the identification of post-translational modifications (PTMs) of proteins and peptides. Here, we discuss the application of MS/MS in biomedical research, indicating specific examples for the identification of proteins or peptides and their PTMs as relevant biomarkers for diagnostic and therapy.
Synthesis and Anti-Hepatitis B Activities of 3′-Fluoro-2′-Substituted Apionucleosides
Authors: Holan Martin , Tucker Kathryn , Dyatkina Natalia , Liu Hong , Kinkade April , Wang Guangyi , Jin Zhinan , Prhavc Marija
Published: April 2022

Nucleoside analogues have excellent records as anti-HBV drugs. Chronic infections require long-term administration ultimately leading to drug resistance. Therefore, the search for nucleosides with novel scaffolds is of high importance. Here we report the synthesis of novel 2′-hydroxy- and 2′-hydroxymethyl-apionucleosides, 4 and 5, corresponding triphosphates and phosphoramidate prodrugs. Triphosphate 38 of 2′-hydroxymethyl-apionucleoside 5 exhibited potent inhibition of HBV polymerase with an IC50 value of 120 nM. In an HBV cell-based assay, the phosphoramidate prodrug 39 demonstrated potent activity with an EC50 value of 7.8 nM.
Aromas Influencing the GABAergic System
Authors: Hartley Neville , McLachlan Craig S.
Published: April 2022

Aromas have a powerful influence in our everyday life and are known to exhibit an array of pharmacological properties, including anxiolytic, anti-stress, relaxing, and sedative effects. Numerous animal and human studies support the use of aromas and their constituents to reduce anxiety-related symptoms and/or behaviours. Although the exact mechanism of how these aromas exert their anxiolytic effects is not fully understood, the GABAergic system is thought to be primarily involved. The fragrance emitted from a number of plant essential oils has shown promise in recent studies in modulating GABAergic neurotransmission, with GABAA receptors being the primary therapeutic target. This review will explore the anxiolytic and sedative properties of aromas found in common beverages, such as coffee, tea, and whisky as well aromas found in food, spices, volatile organic compounds, and popular botanicals and their constituents. In doing so, this review will focus on these aromas and their influence on the GABAergic system and provide greater insight into viable anxiety treatment options.
Degradation and Pathways of Carvone in Soil and Water
Authors: Huang Chenyu , Zhou Wenwen , Bian Chuanfei , Wang Long , Li Yuqi , Li Baotong
Published: April 2022

Carvone is a monoterpene compound that has been widely used as a pesticide for more than 10 years. However, little is known regarding the fate of carvone, or its degradation products, in the environment. We used GC-MS (gas chromatography–mass spectrometry) to study the fate of carvone and its degradation and photolysis products under different soil and light conditions. We identified and quantified three degradation products of carvone in soil and water samples: dihydrocarvone, dihydrocarveol, and carvone camphor. In soil, dihydrocarveol was produced at very low levels (≤0.067 mg/kg), while dihydrocarvone was produced at much higher levels (≤2.07 mg/kg). In water exposed to differing light conditions, carvone was degraded to carvone camphor. The photolysis rate of carvone camphor under a mercury lamp was faster, but its persistence was lower than under a xenon lamp. The results of this study provide fundamental data to better understand the fate and degradation of carvone and its metabolites in the environment.
Exogenous Glutathione Protects IPEC-J2 Cells against Oxidative Stress through a Mitochondrial Mechanism
Authors: Chen Qiuyu , Yu Miao , Tian Zhimei , Cui Yiyan , Deng Dun , Rong Ting , Liu Zhichang , Song Min , Li Zhenming , Ma Xianyong , Lu Huijie
Published: April 2022

The accumulation of reactive oxygen species (ROS) triggers oxidative stress in cells by oxidizing and modifying various cellular components, preventing them from performing their inherent functions, ultimately leading to apoptosis and autophagy. Glutathione (GSH) is a ubiquitous intracellular peptide with multiple functions. In this study, a hydrogen peroxide (H2O2)-induced oxidative damage model in IPEC-J2 cells was used to investigate the cellular protection mechanism of exogenous GSH against oxidative stress. The results showed that GSH supplement improved the cell viability reduced by H2O2-induced oxidative damage model in IPEC-J2 cells in a dose-dependent manner. Moreover, supplement with GSH also attenuated the H2O2-induced MMP loss, and effectively decreased the H2O2-induced mitochondrial dysfunction by increasing the content of mtDNA and upregulating the expression TFAM. Exogenous GSH treatment significantly decreased the ROS and MDA levels, improved SOD activity in H2O2-treated cells and reduced H2O2-induced early apoptosis in IPEC-J2 cells. This study showed that exogenous GSH can protect IPEC-J2 cells against apoptosis induced by oxidative stress through mitochondrial mechanisms.
Losartan Interactions with 2-Hydroxypropyl-β-CD
Authors: Palli Vasiliki , Leonis Georgios , Zoupanou Nikoletta , Georgiou Nikitas , Chountoulesi Maria , Naziris Nikolaos , Tzeli Demeter , Demetzos Costas , Valsami Georgia , Marousis Konstantinos D. , Spyroulias Georgios A. , Mavromoustakos Thomas
Published: April 2022

Losartan potassium salt (LSR) is a well-known antihypertensive drug with proven beneficial effects on human health. Its formulation with the non-toxic 2-hydroxypropyl-β-cyclodextrin (2-HP-β-CD) could improve its pharmacological profile. Thus, its molecular interactions are studied using a combination of Differential Scanning Calorimetry (DSC), Nuclear Magnetic Resonance (NMR) and Molecular Dynamics (MD). First, its complexation is shown through Differential Scanning Calorimetry as lyophilization provided distinct thermal properties in comparison to the mixture. The complexation is further proved by utilizing the chemical shift changes in the complexation and T1 values. Furthermore, the reversible favorable complexation was shown by MD calculations. Such physical chemical properties provide evidence that this formulation must be further explored through biological experiments.
Mg-LDH Nanoclays Intercalated Fennel and Green Tea Active Ingredient: Field and Laboratory Evaluation of Insecticidal Activities against Culex pipiens and Their Non-Target Organisms
Authors: Radwan Ibrahim Taha , Baz Mohamed M. , Khater Hanem , Alkhaibari Abeer Mousa , Selim Abdelfattah M.
Published: April 2022

(1) Background: Mosquito control with essential oils is a growing demand. This work evaluated the novel larvicidal and adulticidal activity of fennel and green tea oils and their Layered double hydroxides (LDHs) nanohybrid against Culex pipiens (Cx. pipiens) in both laboratory and field conditions and evaluated their effect against non-target organisms; (2) Methods: Two types of nanoclays, MgAl-LDH and NiAl-LDH were synthesized and characterized using PXRD, TEM and SEM, whereas their elemental analysis was accomplished by SEM-EDX; (3) Results: Mg and Ni LDHs were synthesized by the co-precipitation method. The adsorption and desorption of active ingredients were conducted using LC MS/MS, with reference to the SEM-EXD analysis. The desorption process of MgAl-LDH intercalated green tea oil was conducted using ethanol, and reveled significant peaks related to polyphenols and flavonoids like Vanillin, Catechin, Daidzein, Ellagic acid, Naringenin, Myricetin and Syringic acid with concentrations of 0.76, 0.73, 0.67, 0.59, 0.52, 0.44 and 0.42 μg/g, respectively. The larvicidal LC50 values of fennel oil, Mg-LDH-F, and Ni-LDH-F were 843.88, 451.95, 550.12 ppm, respectively, whereas the corresponding values of green tea were 938.93, 530.46, and 769.94 ppm. The larval reduction percentage of fennel oil and Mg-LDH-F reached 90.1 and 96.2%, 24 h PT and their persistence reached five and seven days PT, respectively. The reduction percentage of green tea oil and Mg-LDH-GT reached 88.00 and 92.01%, 24 h PT and their persistence reached five and six days PT, respectively. Against adults, Mg-LDH-GT and Ni-LDH-GT were less effective than green tea oil as their LC95 values were 5.45, 25.90, and 35.39%, respectively. The reduction in adult density PT with fennel oil, Mg-LDH-F, green tea oil, and Mg-LDH-GT reached 83.1, 100, 77.0, and 99.0%, respectively, 24 h PT and were effective for three days. Mg-LDH-GT and Mg-LDH-F increased the predation Cybister tripunctatus (71% and 69%), respectively; (4) Conclusions: For the first time, Mg-LDH-GT and Mg-LDH-F was the best system loaded with relatively good desorption release to its active ingredients and significantly affected Cx. pipiens larvae and adults in both laboratory and field circumstances, and it could be included in mosquito control.
Optimization of Headspace Solid-Phase Micro-Extraction Conditions (HS-SPME) and Identification of Major Volatile Aroma-Active Compounds in Chinese Chive (Allium tuberosum Rottler)
Authors: Xie Bojie , Wu Qian , Wei Shouhui , Li Haiyan , Wei Jinmei , Hanif Medhia , Li Ju , Liu Zeci , Xiao Xuemei , Yu Jihua
Published: April 2022

In order to rapidly and precisely identify the volatile compounds in Chinese chive (Allium tuberosum Rottler), seven key parameters of headspace solid-phase micro-extraction conditions (HS-SPME) from Chinese chive were optimized. A total of 59 volatile compounds were identified by using the optimized method, including 28 ethers, 15 aldehydes, 6 alcohols, 5 ketones, 2 hydrocarbons, 1 ester, and 2 phenols. Ethers are the most abundant, especially dimethyl trisulfide (10,623.30 μg/kg). By calculating the odor activity values (OAVs), 11 volatile compounds were identified as the major aroma-active compounds of Chinese chive. From the analysis of the composition of Chinese chive aroma, the “garlic and onion” odor (OAV = 2361.09) showed an absolute predominance over the other 5 categories of aroma. The results of this study elucidated the main sources of Chinese chive aroma from a chemical point of view and provided the theoretical basis for improving the flavor quality of Chinese chive.
A Fluorescent “Turn-On” Clutch Probe for Plasma Cell-Free DNA Identification from Lung Cancer Patients
Authors: Zhu Lin , Zhao Dongxu , Xu Lixin , Sun Meng , Song Yueyue , Liu Mingrui , Li Menglin , Zhang Jinfeng
Published: April 2022

Early diagnosis of cancer is of paramount significance for the therapeutic intervention of cancers. Although the detection of circulating cell-free DNA (cfDNA) has emerged as a promising, minimally invasive approach for early cancer diagnosis, there is an urgent need to develop a highly sensitive and rapid method to precisely identify plasma cfDNA from clinical samples. Herein, we report a robust fluorescent “turn-on” clutch probe based on non-emissive QDs-Ru complexes to rapidly recognize EGFR gene mutation in plasma cfDNA from lung cancer patients. In this system, the initially quenched emission of QDs is recovered while the red emission of Ru(II) complexes is switched on. This is because the Ru(II) complexes can specifically intercalate into the double-stranded DNA (dsDNA) to form Ru-dsDNA complexes and simultaneously liberate free QDs from the QDs-Ru complexes, which leads to the occurrence of an overlaid red fluorescence. In short, the fluorescent “turn-on” clutch probe offers a specific, rapid, and sensitive paradigm for the recognition of plasma cfDNA biomarkers from clinical samples, providing a convenient and low-cost approach for the early diagnosis of cancer and other gene-mutated diseases.
Investigation of Nonlinear Optical Processes in Mercury Sulfide Quantum Dots
Authors: Kim Vyacheslav V. , Shuklov Ivan A. , Mardini Alaa A. , Bundulis Arturs , Zvyagin Andrey I. , Kholany Rawda , Lizunova Anna A. , Grube Jurgis , Sarakovskis Anatolijs , Ovchinnikov Oleg V. , Ganeev Rashid A.
Published: April 2022

The authors report the third-harmonic generation, nonlinear refraction, and nonlinear absorption in HgS quantum dot (QD) suspensions and films using the nanosecond and femtosecond pulses. High conversion efficiency (7 × 10−4) towards the third harmonic (TH) of the 900–1700 nm, 150 fs laser in the thin (70 nm) films containing HgS QDs deposited on the glass substrates is obtained. The authors analyze spectral dependencies of the TH, nonlinear refractive indices, and nonlinear absorption coefficients of QDs in the 500–1700 nm range and discuss the relation between the TH process and the low-order nonlinear optical properties of these quantum dots.
Fabrication and Characterization of Bio-Nanocomposites Based on Halloysite-Encapsulating Grapefruit Seed Oil in a Pectin Matrix as a Novel Bio-Coating for Strawberry Protection
Authors: Viscusi Gianluca , Lamberti Elena , D’Amico Francesca , Tammaro Loredana , Gorrasi Giuliana
Published: April 2022

In the framework of designing a novel bio-coating for the preservation of fresh fruits, this paper reports the design, preparation, and characterization of novel bio-nanocomposites based on pectin loaded with grapefruit seed oil (GO), a natural compound with antimicrobial properties, encapsulated into halloysite nanotubes (HNTs). The vacuum-based methodology was used for the encapsulation of the oil into the hollow area of the nanotubes, obtaining nano-hybrids (HNT-GO) with oil concentrations equal to 20, 30, and 50 wt%. Physical properties (thermal, mechanical, barrier, optical) were analyzed. Thermal properties were not significantly (p < 0.05) affected by the filler, while an improvement in mechanical performance (increase in elastic modulus, stress at breaking, and deformation at breaking up to 200%, 48%, and 39%, respectively, compared to pure pectin film) and barrier properties (increase in water permeability up to 480% with respect to pure pectin film) was observed. A slight increase in opacity was detected without significantly compromising the transparency of the films. The release of linoleic acid, the main component of GO, was followed for 21 days and was correlated with the amount of the hybrid filler, demonstrating the possibility of tailoring the release kinetic of active molecules. In order to evaluate the effectiveness of the prepared bio-composites as an active coating, fresh strawberries were coated and compared to uncoated fruit. Qualitative results showed that the fabricated novel bio-coating efficiently extended the preservation of fresh fruit.
Enhanced Light Extraction from Organic Light-Emitting Diodes with Micro-Nano Hybrid Structure
Authors: Bae Eun-Jeong , Kang Shin-Woo , Choi Geun-Su , Jang Eun-Bi , Baek Dong-Hyun , Ju Byeong-Kwon , Park Young-Wook
Published: April 2022

In this study, an external light extraction layer with a micro-nano hybrid structure was applied to improve the external light extraction efficiency of organic light-emitting diodes (OLEDs). A reactive ion-etching (RIE) process, using O2 and CHF3 plasma, was performed on the surface of the micro-scale pattern to form micro-nano hybrid structures. According to the results of this study, the nanostructures formed by the treatment of O2 and CHF3 were different, and the efficiency according to the structures was analyzed experimentally and theoretically. As a result, the OLED, to which the micro-nano hybrid structure, manufactured through a simple process, is applied, improved the external light extraction efficiency by up to 38%, and an extended viewing angle profile was obtained. Additionally, an effective method for enhancing the out-coupling efficiency of OLEDs was presented by optimizing the micro-nano hybrid structure according to process conditions.
Silica- and Silicon-Based Nanostructures
Authors: Ternon Céline
Published: April 2022

As depicted in Figure 1, studies on silicon and silica-based nanostructures first appeared in the early 1990s, and their numbers grew until the mid-2010s [...]
Insights into the Correlation between Residual Stresses, Phase Transformation, and Wettability of Femtosecond Laser-Irradiated Ductile Iron
Authors: Kumar Dhiraj , Liedl Gerhard , Otto Andreas , Artner Werner
Published: April 2022

Despite numerous studies on the wettability behavior of ductile iron after ultrafast laser structuring, the correlation between the phase change due to the interaction with an intense pulse and wettability is not yet well understood. In the present work, phase transformations of ductile iron substrates after femtosecond laser irradiation are investigated and correlated with the wettability behavior. Laser parameters such as fluence (F), cumulative fluence (CH), number of pulses (N), and scan speed were varied to produce hierarchical structures with different morphologies and phase concentrations. Our outcomes indicated that substrates with higher concentrations of austenite in the absence of hierarchical structures have a superhydrophilic nature despite being stored in an ambient atmosphere for several days and the application of a vacuum process. In addition, we measured the concomitant residual stresses after laser irradiation using the X-ray diffraction (XRD) method and established a relationship with the doses of CH and induced micro/nanostructures. Transmission electron microscopy (TEM) revealed that laser-structured surfaces are covered with oxides; moreover, phase transformation occurs at the near-subsurface layer.
Multiscale Simulation on the Thermal Response of Woven Composites with Hollow Reinforcements
Authors: Zhao Xiaoyu , Guo Fei , Li Beibei , Wang Guannan , Ye Jinrui
Published: April 2022

In this paper, we established a progressive multiscale model for a plain-woven composite with hollow microfibers and beads and investigated the general conductive thermal response. Micromechanic techniques were employed to predict the effective conductivity coefficients of the extracted representative volume elements (RVEs) at different scales, which were then transferred to higher scales for progressive homogenization. A structural RVE was finally established to study the influence of microscale parameters, such as phase volume fraction, the thickness of the fibers/beads, etc., on the effective and localized behavior of the composite system It was concluded that the volume fraction of the hollow glass beads (HGBs) and the thickness of the hollow fibers (HFs) had a significant effect on the effective thermal coefficients of the plain-woven composites. Furthermore, it was found that an increasing HGB volume fraction had a more significant effect in reducing the thermal conductivity of composite. The present simulations provide guidance to future experimental testing.
Detection of Nitroaromatic Explosives in Air by Amino-Functionalized Carbon Nanotubes
Authors: Ferrari Claudio , Attolini Giovanni , Bosi Matteo , Frigeri Cesare , Frigeri Paola , Gombia Enos , Lazzarini Laura , Rossi Francesca , Seravalli Luca , Trevisi Giovanna , Lolli Riccardo , Aversa Lucrezia , Verucchi Roberto , Musayeva Nahida , Alizade Muhammad , Quluzade Sevinj , Orujov Teimur , Sansone Francesco , Baldini Laura , Rispoli Francesco
Published: April 2022

Nitroaromatic explosives are the most common explosives, and their detection is important to public security, human health, and environmental protection. In particular, the detection of solid explosives through directly revealing the presence of their vapors in air would be desirable for compact and portable devices. In this study, amino-functionalized carbon nanotubes were used to produce resistive sensors to detect nitroaromatic explosives by interaction with their vapors. Devices formed by carbon nanotube networks working at room temperature revealed trinitrotoluene, one of the most common nitroaromatic explosives, and di-nitrotoluene-saturated vapors, with reaction and recovery times of a few and tens of seconds, respectively. This type of resistive device is particularly simple and may be easily combined with low-power electronics for preparing portable devices.
Low Cost and Easy Validation Anticounterfeiting Plasmonic Tags Based on Thin Films of Metal and Dielectric
Authors: Ferraro Antonio , Bruno Mauro Daniel Luigi , Papuzzo Giuseppe , Varchera Rosa , Forestiero Agostino , De Santo Maria Penolope , Caputo Roberto , Barberi Riccardo Cristofaro
Published: April 2022

Multilevel anticounterfeiting Physical Unclonable Function (PUF) tags based on thin film of silver (Ag), Zinc Oxide (ZnO) and PolyVinylPyrrolidone (PVP), are experimentally demonstrated and validated. We exploit the low adhesion of silver to glass and consequent degradation during ZnO deposition to induce morphological randomness. Several photographs of the tag surfaces have been collected with different illumination conditions and using two smartphones of diverse brand. The photos were analyzed using an image recognition algorithm revealing low common minutiae for different tags. Moreover, the optical response reveals peculiar spectra due to labels of plasmonic nature. The proposed systems can be easily fabricated on large areas and represent a cost-effective solution for practical protection of objects.
Performance Evaluation of Machine Learning and Neural Network-Based Algorithms for Predicting Segment Availability in AIoT-Based Smart Parking
Authors: Dia Issa , Ahvar Ehsan , Lee Gyu Myoung
Published: April 2022

Finding an available parking place has been considered a challenge for drivers in large-size smart cities. In a smart parking application, Artificial Intelligence of Things (AIoT) can help drivers to save searching time and automotive fuel by predicting short-term parking place availability. However, performance of various Machine Learning and Neural Network-based (MLNN) algorithms for predicting parking segment availability can be different. To find the most suitable MLNN algorithm for the above mentioned application, this paper evaluates performance of a set of well-known MLNN algorithms as well as different combinations of them (i.e., known as Ensemble Learning or Voting Classifier) based on a real parking datasets. The datasets contain around five millions records of the measured parking availability in San Francisco. For evaluation, in addition to the cross validation scores, we consider resource requirements, simplicity and execution time (i.e., including both training and testing times) of algorithms. Results show that while some ensemble learning algorithms provide the best performance in aspect of validation score, they consume a noticeable amount of computing and time resources. On the other hand, a simple Decision Tree (DT) algorithm provides a much faster execution time than ensemble learning algorithms, while its performance is still acceptable (e.g., DT’s accuracy is less than 1% lower than the best ensemble algorithm). We finally propose and simulate a recommendation system using the DT algorithm. We have found that around 77% of drivers can not find a free spot in their selected destinations (i.e., street or segment) and estimated that the recommendation system, by introducing alternative closest vacant locations to destinations, can save, in total, 3500 min drivers searching time for 1000 parking spot requests. It can also help to reduce the traffic and save a noticeable amount of automotive fuel.
Nutrition and Rheumatoid Arthritis Onset: A Prospective Analysis Using the UK Biobank
Authors: Mazzucca Camilla Barbero , Scotti Lorenza , Cappellano Giuseppe , Barone-Adesi Francesco , Chiocchetti Annalisa
Published: April 2022

Rheumatoid arthritis (RA) is a chronic inflammatory disease that affects the joints. The multifactorial etiopathogenesis of RA has been heavily investigated, but is still only partially understood. Diet can represent both a risk factor and a protective factor, based on some evidence that suggests specific properties of certain foods and their ability to increase/reduce inflammation. To date, the studies done on this topic provide discordant results and are heterogeneous in terms of design and cohort size. In this work, we investigated for the first time the relationship between nutrition and the risk of RA onset using a sample size of about half a million subjects from one of the largest publicly available biobanks that is the UK biobank. Results showed that oily fish, alcohol, coffee and breakfast cereals have protective roles in RA; whereas, tea can increase the risk of RA. In conclusion, the obtained results confirm that diet plays key roles in RA, either by promoting or by preventing RA onset and development. Future research should focus on unravelling the effects of dietary habits on immune-mediated diseases to establish better preventive strategies.
The Influence of Diet on Ovulation Disorders in Women—A Narrative Review
Authors: Jurczewska Justyna , Szostak-Węgierek Dorota
Published: April 2022

Female infertility is commonly due to ovulation disorders. They are mostly related to polycystic ovary syndrome, which is currently viewed as one of the most common endocrine disorders in women of reproductive age. Ovulation-related female fertility is influenced by multiple factors which may include: age, smoking cigarettes, stress, use of psychoactive substances, and physical activity. Moreover, diet-related factors play an important role in the regulation of ovulation. Dietary components that exert a positive influence on ovulation include: carbohydrate products with low glycemic index, plant protein, monounsaturated and polyunsaturated fatty acids, folic acid, vitamin D, antioxidants, and iron. A diet based on the structure of the Mediterranean diet also seems beneficial. Components that have a negative influence mostly include high glycemic index carbohydrates, large amounts of animal protein, saturated fatty acids, and trans fatty acids, which are typically found in the Western model of nutrition. Due to the paucity of studies that presented a direct link between nutrition and the risk of anovulatory infertility, this study aimed to summarize the most recent research on the influence of dietary factors on ovulation disorders and indicate the possibilities of future research.
Inhibition of In Vitro Infection of Hepatitis B Virus by Human Breastmilk
Authors: Luo Yuqian , Xiang Kuanhui , Liu Jingli , Song Ji , Feng Jing , Chen Jie , Dai Yimin , Hu Yali , Zhuang Hui , Zhou Yihua
Published: April 2022

Despite the presence of hepatitis B virus (HBV) in the human breastmilk of mothers infected with HBV, it has been shown that breastfeeding does not increase the risk of mother-to-child transmission (MTCT) of HBV. We tested the hypothesis that human breastmilk may contain active components that bind to HBV and inhibit the infectivity of HBV. The results show that human whey significantly inhibited the binding of the hepatitis B surface antigen (HBsAg) to its antibodies in competitive inhibition immunoassays. The far-western blotting showed that HBsAg bound to a protein of 80 kD in human whey, which was identified as lactoferrin by mass spectrometry. Competitive inhibition immunoassays further demonstrated that both human lactoferrin and bovine lactoferrin bound to HBsAg. Human whey, human lactoferrin, and bovine lactoferrin each significantly inhibited the infectivity of HBV in vitro. Our results indicate that human breastmilk can bind to HBsAg and inhibit the infectivity of HBV, and the active component is lactoferrin. The findings may explain the reason that breastfeeding has no additional risk for MTCT of HBV, although human breastmilk contains HBV. Our study provides experimental evidence that HBV-infected mothers should be encouraged to breastfeed their infants
The Association between Cultural Competency, Structural Empowerment, and Effective Communication among Nurses in Saudi Arabia: A Cross-Sectional Correlational Study
Authors: Falatah Rawaih , Al-Harbi Lina , Alhalal Eman
Published: April 2022

This study aimed to examine the association between cultural competency, structural empowerment, and effective communication among nurses in Saudi Arabia. A cross-sectional correlational design was used. The study questionnaire utilized three scales: the Culture Competence Scale, Conditions for Work Effectiveness Questionnaire-II, and Communication Competency Assessment Scale. All the scales were culturally adapted and translated using an integrated method. The questionnaire was distributed through an online survey using a convenience sampling approach. Data were collected from 396 participants. The findings showed statistically significant association between cultural competency and effective communication (r = 0.747, p < 0.001) and between structural empowerment and cultural competency (r = −0.123, p = 0.014). Moreover, the overall model with effective communication and structural empowerment as predictors, controlling for nurses’ nationality significantly explains 56% of the variance in cultural competency. Structural empowerment did not significantly predict cultural competency (b = −0.052, β = −0.069, p < 0.052, 95% CI = [−0.104, −0.001]), while effective communication was found to be a significant positive independent predictor of cultural competency (b = 0.745, β = 0.741, p < 0.001, 95% CI = [0.677, 0.811]). The findings underline the need to make effective communication courses mandatory in undergraduate nursing curricula. Healthcare systems should be built such that they support the empowerment of the nursing workforce from different nationalities and establish effective communication policies to enhance cultural competency among nurses. Future research in this area is needed to validate the result of this study.
Treatment with Ad5-Porcine Interferon-α Attenuates Ebolavirus Disease in Pigs
Authors: Senthilkumaran Chandrika , Kroeker Andrea L. , Smith Gregory , Embury-Hyatt Carissa , Collignon Brad , Ramirez-Medina Elizabeth , Azzinaro Paul A. , Pickering Bradley S. , Diaz-San Segundo Fayna , Weingartl Hana M. , de los Santos Teresa
Published: April 2022

Under experimental conditions, pigs infected with Ebola Virus (EBOV) develop disease and can readily transmit the virus to non-human primates or pigs. In the event of accidental or intentional EBOV infection of domestic pigs, complex and time-consuming safe depopulation and carcass disposal are expected. Delaying or preventing transmission through a reduction in viral shedding is an absolute necessity to limit the spread of the virus. In this study, we tested whether porcine interferon-α or λ3 (porIFNα or porIFNλ3) delivered by a replication-defective human type 5 adenovirus vector (Ad5-porIFNα or Ad5-porIFNλ3) could limit EBOV replication and shedding in domestic pigs. Our results show that pigs pre-treated with Ad5-porIFNα did not develop measurable clinical signs, did not shed virus RNA, and displayed strongly reduced viral RNA load in tissues. A microarray analysis of peripheral blood mononuclear cells indicated that Ad5-porIFNα treatment led to clear upregulation in immune and inflammatory responses probably involved in protection against disease. Our results indicate that administration of Ad5-porIFNα can potentially be used to limit the spread of EBOV in pigs.
Ferrate (VI), Fenton Reaction and Its Modification: An Effective Method of Removing SARS-CoV-2 RNA from Hospital Wastewater
Authors: Žabka Dušan , Konečná Barbora , Celec Peter , Janíková Monika , Ivašková Nadja , Tóthová Ľubomíra , Tamáš Michal , Škulcová Andrea Butor , Púček Belišová Noemi , Horáková Ivana , Bímová Paula , Híveš Ján , Ryba Jozef , Klempa Boris , Sláviková Monika , Kopáček Juraj , Krahulec Ján , Gál Miroslav , Mackuľak Tomáš
Published: April 2022

The outbreak of the coronavirus disease 2019 (COVID-19) raises questions about the effective inactivation of its causative agent, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) in medical wastewater by disinfectants. For this reason, our study of wastewater from a selected hospital evaluated several different advanced oxidation methods (Fenton reaction and Fenton-like reaction and ferrate (VI)) capable of effectively removing SARS-CoV-2 RNA. The obtained results of all investigated oxidation processes, such as ferrates, Fenton reaction and its modifications achieved above 90% efficiency in degradation of SARS-CoV-2 RNA in model water. The efficiency of degradation of real SARS-CoV-2 from hospital wastewater declines in following order ferrate (VI) > Fenton reaction > Fenton-like reaction. Similarly, the decrease of chemical oxygen demand compared to effluent was observed. Therefore, all of these methods can be used as a replacement of chlorination at the wastewater effluent, which appeared to be insufficient in SARS-CoV-2 removal (60%), whereas using of ferrates showed efficiency of up to 99%.
Comparative Study of Powder Carriers Physical and Structural Properties
Authors: Kostelanská Klára , Prudilová Barbora Blahová , Holešová Sylva , Vlček Jakub , Vetchý David , Gajdziok Jan
Published: April 2022

High specific surface area (SSA), porous structure, and suitable technological characteristics (flow, compressibility) predetermine powder carriers to be used in pharmaceutical technology, especially in the formulation of liquisolid systems (LSS) and solid self-emulsifying delivery systems (s-SEDDS). Besides widely used microcrystalline cellulose, other promising materials include magnesium aluminometasilicates, mesoporous silicates, and silica aerogels. Clay minerals with laminar or fibrous internal structures also provide suitable properties for liquid drug incorporation. This work aimed at a comparison of 14 carriers’ main properties. Cellulose derivatives, silica, silicates, and clay minerals were evaluated for flow properties, shear cell experiments, SSA, hygroscopicity, pH, particle size, and SEM. The most promising materials were magnesium aluminometasilicates, specifically Neusilin® US2, due to its proper flow, large SSA, etc. Innovative materials such as FujiSil® or Syloid® XDP 3050 were for their properties evaluated as suitable. The obtained data can help choose a suitable carrier for formulations where the liquid phase is incorporated into the solid dosage form. All measurements were conducted by the same methodology and under the same conditions, allowing a seamless comparison of property evaluation between carriers, for which available company or scientific sources do not qualify due to different measurements, conditions, instrumentation, etc.
Targeted Liposomes: A Nonviral Gene Delivery System for Cancer Therapy
Authors: Luiz Marcela Tavares , Dutra Jessyca Aparecida Paes , Tofani Larissa Bueno , de Araújo Jennifer Thayanne Cavalcante , Di Filippo Leonardo Delello , Marchetti Juliana Maldonado , Chorilli Marlus
Published: April 2022

Cancer is the second most frequent cause of death worldwide, with 28.4 million new cases expected for 2040. Despite de advances in the treatment, it remains a challenge because of the tumor heterogenicity and the increase in multidrug resistance mechanisms. Thus, gene therapy has been a potential therapeutic approach owing to its ability to introduce, silence, or change the content of the human genetic code for inhibiting tumor progression, angiogenesis, and metastasis. For the proper delivery of genes to tumor cells, it requires the use of gene vectors for protecting the therapeutic gene and transporting it into cells. Among these vectors, liposomes have been the nonviral vector most used because of their low immunogenicity and low toxicity. Furthermore, this nanosystem can have its surface modified with ligands (e.g., antibodies, peptides, aptamers, folic acid, carbohydrates, and others) that can be recognized with high specificity and affinity by receptor overexpressed in tumor cells, increasing the selective delivery of genes to tumors. In this context, the present review address and discuss the main targeting ligands used to functionalize liposomes for improving gene delivery with potential application in cancer treatment.
Novel Pharmaceutical and Nutraceutical-Based Approaches for Cardiovascular Diseases Prevention Targeting Atherogenic Small Dense LDL
Authors: Vekic Jelena , Zeljkovic Aleksandra , Stefanovic Aleksandra , Bogavac-Stanojevic Natasa , Ilias Ioannis , Silva-Nunes José , Stoian Anca Pantea , Janez Andrej , Rizzo Manfredi
Published: April 2022

Compelling evidence supports the causative link between increased levels of low-density lipoprotein cholesterol (LDL-C) and atherosclerotic cardiovascular disease (CVD) development. For that reason, the principal aim of primary and secondary cardiovascular prevention is to reach and sustain recommended LDL-C goals. Although there is a considerable body of evidence that shows that lowering LDL-C levels is directly associated with CVD risk reduction, recent data shows that the majority of patients across Europe cannot achieve their LDL-C targets. In attempting to address this matter, a new overarching concept of a lipid-lowering approach, comprising of even more intensive, much earlier and longer intervention to reduce LDL-C level, was recently proposed for high-risk patients. Another important concern is the residual risk for recurrent cardiovascular events despite optimal LDL-C reduction, suggesting that novel lipid biomarkers should also be considered as potential therapeutic targets. Among them, small dense LDL particles (sdLDL) seem to have the most significant potential for therapeutic modulation. This paper discusses the potential of traditional and emerging lipid-lowering approaches for cardiovascular prevention by targeting sdLDL particles.
Impact of a Prepharmacy Program on Students’ Self-Awareness of Pharmacist Professional Identity: Comparison between Virtual and In-Person Settings
Authors: Malhotra Ashim , Kreys Eugene , Feng Xiaodong
Published: April 2022

Ensuring an adequate preparation for undergraduate students transitioning to pharmacy school is challenging. A significant barrier is changing from a subordinate to a critical thinking mindset while self-identifying as a professional. Here, we aimed to (1) determine whether our prepharmacy program called “Professional Identity and Me” (PRIME) could enhance learners’ self-awareness of their professional identity and (2) compare the effectiveness of the in-person and online versions of PRIME. PRIME introduced prepharmacy students to aspects of pharmacists’ professional identity including community, hospital, and interprofessional work, as well as mental health, wellness, and time and stress management skills, Top-200 drugs, prerequisite foundational sciences, and calculations. Concepts of professionalism, graduate writing, and ownership were also presented. Bridging exercises were introduced to exemplify application. We used a mixed-methods approach to assess the outcomes. The average performance in knowledge-based assessments increased before and after the PRIME program from 53.8 to 74.6% and from 47.7 to 75.9%, while the difference in the test scores was statistically significant, with a 21% increase (p < 0.001, 95% CI 15–26%) and a 28% improvement (p < 0.001, 95% CI 23–34%) for face-to-face versus virtual PRIME. The results of a student perception survey revealed PRIME was equally effective as a virtual program during the COVID-19 pandemic, suggesting transferability to other pharmacy programs.