bluuebunny/crossref_metadata_2025 huggingface dataset:
Preliminary Insight of Pyrrolylated-Chalcones as New Anti-Methicillin-Resistant Staphylococcus aureus (Anti-MRSA) Agents
Authors: Gunasekharan Mohanapriya , Choi Tae-Ik , Rukayadi Yaya , Mohammad Latif Muhammad Alif , Karunakaran Thiruventhan , Mohd Faudzi Siti Munirah , Kim Cheol-Hee
Published: September 2021

Bacterial infections are regarded as one of the leading causes of fatal morbidity and death in patients infected with diseases. The ability of microorganisms, particularly methicillin-resistant Staphylococcus aureus (MRSA), to develop resistance to current drugs has evoked the need for a continuous search for new drugs with better efficacies. Hence, a series of non-PAINS associated pyrrolylated-chalcones (1–15) were synthesized and evaluated for their potency against MRSA. The hydroxyl-containing compounds (8, 9, and 10) showed the most significant anti-MRSA efficiency, with the MIC and MBC values ranging from 0.08 to 0.70 mg/mL and 0.16 to 1.88 mg/mL, respectively. The time-kill curve and SEM analyses exhibited bacterial cell death within four hours after exposure to 9, suggesting its bactericidal properties. Furthermore, the docking simulation between 9 and penicillin-binding protein 2a (PBP2a, PDB ID: 6Q9N) suggests a relatively similar bonding interaction to the standard drug with a binding affinity score of −7.0 kcal/mol. Moreover, the zebrafish model showed no toxic effects in the normal embryonic development, blood vessel formation, and apoptosis when exposed to up to 40 µM of compound 9. The overall results suggest that the pyrrolylated-chalcones may be considered as a potential inhibitor in the design of new anti-MRSA agents.
Narrow-Linewidth 2 μm All-Fiber Laser Amplifier with a Highly Stable and Precisely Tunable Wavelength for Gas Molecule Absorption in Photonic Crystal Hollow-Core Fibers
Authors: Pei Wenxi , Li Hao , Cui Yulong , Zhou Zhiyue , Wang Meng , Wang Zefeng
Published: September 2021

In recent years, mid-infrared fiber lasers based on gas-filled photonic crystal hollow-core fibers (HCFs) have attracted enormous attention. They provide a potential method for the generation of high-power mid-infrared emissions, particularly beyond 4 μm. However, there are high requirements of the pump for wavelength stability, tunability, laser linewidth, etc., due to the narrow absorption linewidth of gases. Here, we present the use of a narrow-linewidth, high-power fiber laser with a highly stable and precisely tunable wavelength at 2 μm for gas absorption. It was a master oscillator power-amplifier (MOPA) structure, consisting of a narrow-linewidth fiber seed and two stages of Thulium-doped fiber amplifiers (TDFAs). The seed wavelength was very stable and was precisely tuned from 1971.4 to 1971.8 nm by temperature. Both stages of the amplifiers were forward-pumping, and a maximum output power of 24.8 W was obtained, with a slope efficiency of about 50.5%. The measured laser linewidth was much narrower than the gas absorption linewidth and the wavelength stability was validated by HBr gas absorption in HCFs. If the seed is replaced, this MOPA laser can provide a versatile pump source for mid-infrared fiber gas lasers.
Scaffold Repurposing of In-House Small Molecule Candidates Leads to Discovery of First-in-Class CDK-1/HER-2 Dual Inhibitors: In Vitro and In Silico Screening
Authors: Elkamhawy Ahmed , Ammar Usama M. , Paik Sora , Abdellattif Magda H. , Elsherbeny Mohamed H. , Lee Kyeong , Roh Eun Joo
Published: September 2021

Recently, multitargeted drugs are considered a potential approach in treating cancer. In this study, twelve in-house indole-based derivatives were preliminary evaluated for their inhibitory activities over VEGFR-2, CDK-1/cyclin B and HER-2. Compound 15l showed the most inhibitory activities among the tested derivatives over CDK-1/cyclin B and HER-2. Compound 15l was tested for its selectivity in a small kinase panel. It showed dual selectivity for CDK-1/cyclin B and HER-2. Moreover, in vitro cytotoxicity assay was assessed for the selected series against nine NCI cell lines. Compound 15l showed the most potent inhibitory activities among the tested compounds. A deep in silico molecular docking study was conducted for compound 15l to identify the possible binding modes into CDK-1/cyclin B and HER-2. The docking results revealed that compound 15l displayed interesting binding modes with the key amino acids in the binding sites of both kinases. In vitro and in silico studies demonstrate the indole-based derivative 15l as a selective dual CDK-1 and HER-2 inhibitor. This emphasizes a new challenge in drug development strategies and signals a significant milestone for further structural and molecular optimization of these indole-based derivatives in order to achieve a drug-like property.
Chemo-Preventive Action of Resveratrol: Suppression of p53—A Molecular Targeting Approach
Authors: Akter Rokeya , Rahman Md. Habibur , Kaushik Deepak , Mittal Vineet , Uivarosan Diana , Nechifor Aurelia Cristina , Behl Tapan , Karthika Chenmala , Stoicescu Manuela , Munteanu Mihai Alexandru , Bustea Cristiana , Bungau Simona
Published: September 2021

Extensive experimental, clinical, and epidemiological evidence has explained and proven that products of natural origin are significantly important in preventing and/or ameliorating various disorders, including different types of cancer that researchers are extremely focused on. Among these studies on natural active substances, one can distinguish the emphasis on resveratrol and its properties, especially the potential anticancer role. Resveratrol is a natural product proven for its therapeutic activity, with remarkable anti-inflammatory properties. Various other benefits/actions have also been reported, such as cardioprotective, anti-ageing, antioxidant, etc. and its rapid digestion/absorption as well. This review aims to collect and present the latest published studies on resveratrol and its impact on cancer prevention, molecular signals (especially p53 protein participation), and its therapeutic prospects. The most recent information regarding the healing action of resveratrol is presented and concentrated to create an updated database focused on this topic presented above.
The Effect of an Accelerator on Cement Paste Capillary Pores: NMR Relaxometry Investigations
Authors: Ardelean Ioan
Published: September 2021

Nuclear Magnetic Resonance (NMR) relaxometry is a valuable tool for investigating cement-based materials. It allows monitoring of pore evolution and water consumption even during the hydration process. The approach relies on the proportionality between the relaxation time and the pore size. Note, however, that this approach inherently assumes that the pores are saturated with water during the hydration process. In the present work, this assumption is eliminated, and the pore evolution is discussed on a more general basis. The new approach is implemented here to extract information on surface evolution of capillary pores in a simple cement paste and a cement paste containing calcium nitrate as accelerator. The experiments revealed an increase of the pore surface even during the dormant stage for both samples with a faster evolution in the presence of the accelerator. Moreover, water consumption arises from the beginning of the hydration process for the sample containing the accelerator while no water is consumed during dormant stage in the case of simple cement paste. It was also observed that the pore volume fractal dimension is higher in the case of cement paste containing the accelerator.
Comparison of LFQ and IPTL for Protein Identification and Relative Quantification
Authors: Johannsen Christina , Koehler Christian J. , Thiede Bernd
Published: September 2021

(1) Background: Mass spectrometry-based quantitative proteome profiling is most commonly performed by label-free quantification (LFQ), stable isotopic labeling with amino acids in cell culture (SILAC), and reporter ion-based isobaric labeling methods (TMT and iTRAQ). Isobaric peptide termini labeling (IPTL) was described as an alternative to these methods and is based on crosswise labeling of both peptide termini and MS2 quantification. High quantification accuracy was assumed for IPTL because multiple quantification points are obtained per identified MS2 spectrum. A direct comparison of IPTL with other quantification methods has not been performed yet because IPTL commonly requires digestion with endoproteinase Lys-C. (2) Methods: To enable tryptic digestion of IPTL samples, a novel labeling for IPTL was developed that combines metabolic labeling (Arg-0/Lys-0 and Arg-d4/Lys-d4, respectively) with crosswise N-terminal dimethylation (d4 and d0, respectively). (3) Results: The comparison of IPTL with LFQ revealed significantly more protein identifications for LFQ above homology ion scores but not above identity ion scores. (4) Conclusions: The quantification accuracy was superior for LFQ despite the many quantification points obtained with IPTL.
Sensing Properties of NH2-MIL-101 Series for Specific Amino Acids via Turn-On Fluorescence
Authors: Dong Jing , Dao Xiao-Yao , Zhang Xiao-Yu , Zhang Xiu-Du , Sun Wei-Yin
Published: September 2021

Metal–organic frameworks (MOFs) have been demonstrated to be desired candidates for sensing definite species owing to their tunable composition, framework structure and functionality. In this work, the NH2-MIL-101 series was utilized for sensing specific amino acids. The results show that cysteine (Cys) can significantly enhance the fluorescence emission of NH2-MIL-101-Fe suspended in water, while NH2-MIL-101-Al exhibits the ability to sense lysine (Lys), arginine (Arg) and histidine (His) in aqueous media via turn-on fluorescence emission. Titration experiments ensure that NH2-MIL-101-Fe and NH2-MIL-101-Al can selectively and quantitatively detect these amino acids. The sensing mechanism was examined and discussed. The results of this study show that the metal centers in MOFs are crucial for sensing specific amino acids.
Chitosan (CTS) Alleviates Heat-Induced Leaf Senescence in Creeping Bentgrass by Regulating Chlorophyll Metabolism, Antioxidant Defense, and the Heat Shock Pathway
Authors: Huang Cheng , Tian Yulong , Zhang Bingbing , Hassan Muhammad Jawad , Li Zhou , Zhu Yongqun
Published: September 2021

Chitosan (CTS) is a deacetylated derivative of chitin that is involved in adaptive response to abiotic stresses. However, the regulatory role of CTS in heat tolerance is still not fully understood in plants, especially in grass species. The aim of this study was to investigate whether the CTS could reduce heat-induced senescence and damage to creeping bentgrass associated with alterations in antioxidant defense, chlorophyll (Chl) metabolism, and the heat shock pathway. Plants were pretreated exogenously with or without CTS (0.1 g L−1) before being exposed to normal (23/18 °C) or high-temperature (38/33 °C) conditions for 15 days. Heat stress induced detrimental effects, including declines in leaf relative water content and photochemical efficiency, but significantly increased reactive oxygen species (ROS) accumulation, membrane lipid peroxidation, and Chl loss in leaves. The exogenous application of CTS significantly alleviated heat-induced damage in creeping bentgrass leaves by ameliorating water balance, ROS scavenging, the maintenance of Chl metabolism, and photosynthesis. Compared to untreated plants under heat stress, CTS-treated creeping bentgrass exhibited a significantly higher transcription level of genes involved in Chl biosynthesis (AsPBGD and AsCHLH), as well as a lower expression level of Chl degradation-related gene (AsPPH) and senescence-associated genes (AsSAG12, AsSAG39, Asl20, and Ash36), thus reducing leaf senescence and enhancing photosynthetic performance under heat stress. In addition, the foliar application of CTS significantly improved antioxidant enzyme activities (SOD, CAT, POD, and APX), thereby effectively reducing heat-induced oxidative damage. Furthermore, heat tolerance regulated by the CTS in creeping bentgrass was also associated with the heat shock pathway, since AsHSFA-6a and AsHSP82 were significantly up-regulated by the CTS during heat stress. The potential mechanisms of CTS-regulated thermotolerance associated with other metabolic pathways still need to be further studied in grass species.
A Surfactant Concentration Model for the Systematic Determination of the Critical Micellar Concentration and the Transition Width
Authors: Al-Soufi Wajih , Novo Mercedes
Published: September 2021

The critical micellar concentration (cmc) is a fundamental property of surfactant solutions. Many proposed methods for the definition and determination of the cmc from property-concentration plots yield values, which depend on the studied property, on the specific technique used for its analysis and in many cases on the subjective choice of the chosen type of plot and concentration interval. In this focus review, we revise the application of a surfactant concentration model we proposed earlier that defines the cmc directly based on the surfactant concentration. Known equations for the concentration-dependence of different surfactant properties can then be combined with this concentration model and fitted to experimental data. This modular concept makes it possible to determine the cmc and the transition width in a systematic and unambiguous way. We revise its use in the literature in different contexts: the determination of the cmc of surfactants and their mixtures from different properties (electrical conductivity, NMR chemical shift, self-diffusion, surface tension, UV-Vis absorption, fluorescence intensity and fluorescence correlation). We also revise the dependence of the width of the transition region on composition, detailed studies of the properties of fluorescent probes and the aggregation of non-surfactant systems, namely amyloid peptides.
Bell Peppers (Capsicum annum L.) Losses and Wastes: Source for Food and Pharmaceutical Applications
Authors: Anaya-Esparza Luis Miguel , Mora Zuamí Villagrán-de la , Vázquez-Paulino Olga , Ascencio Felipe , Villarruel-López Angélica
Published: September 2021

Currently, the high added-value compounds contained in plant by-products and wastes offer a wide spectrum of opportunities for their reuse and valorization, contributing to the circular economy. The bell pepper (Capsicum annum L.) is an exotic vegetable with high nutritional value that, after processing, leaves wastes (peel, seeds, and leaves) that represent desirable raw material for obtaining phytochemical compounds. This review summarizes and discusses the relevant information on the phytochemical profile of bell peppers and their related biological properties as an alternative to revalorize losses and wastes from bell peppers for their application in the food and pharmaceutical industries. Bell pepper fruits, seeds, and leaves contain bioactive compounds (phenols, flavonoids, carotenoids, tocopherol, and pectic polysaccharides) that exhibit antioxidant, antibacterial, antifungal, immunosuppressive and immunostimulant properties, and antidiabetic, antitumoral and neuroprotective activities, and have a potential use as functional food additives. In this context, the revalorization of food waste is positioned as a technological and innovative research area with beneficial effects for the population, the economy, and the environment. Further studies are required to guarantee the safety use of these compounds and to understand their mechanisms of action.
The Combination of 2D Layered Graphene Oxide and 3D Porous Cellulose Heterogeneous Membranes for Nanofluidic Osmotic Power Generation
Authors: Jia Pan , Du Xinyi , Chen Ruiqi , Zhou Jinming , Agostini Marco , Sun Jinhua , Xiao Linhong
Published: September 2021

Salinity gradient energy, as a type of blue energy, is a promising sustainable energy source. Its energy conversion efficiency is significantly determined by the selective membranes. Recently, nanofluidic membrane made by two-dimensional (2D) nanomaterials (e.g., graphene) with densely packed nanochannels has been considered as a high-efficient membrane in the osmotic power generation research field. Herein, the graphene oxide-cellulose acetate (GO–CA) heterogeneous membrane was assembled by combining a porous CA membrane and a layered GO membrane; the combination of 2D nanochannels and 3D porous structures make it show high surface-charge-governed property and excellent ion transport stability, resulting in an efficient osmotic power harvesting. A power density of about 0.13 W/m2 is achieved for the sea–river mimicking system and up to 0.55 W/m2 at a 500-fold salinity gradient. With different functions, the CA and GO membranes served as ion storage layer and ion selection layer, respectively. The GO–CA heterogeneous membrane open a promising avenue for fabrication of porous and layered platform for wide potential applications, such as sustainable power generation, water purification, and seawater desalination.
Parthenin—A Sesquiterpene Lactone with Multifaceted Biological Activities: Insights and Prospects
Authors: Kaur Amarpreet , Kaur Shalinder , Jandrotia Rupali , Singh Harminder , Batish Daizy , Kohli Ravinder , Rana Virendra , Shakil Najam
Published: September 2021

Parthenin, a sesquiterpene lactone of pseudoguaianolide type, is the representative secondary metabolite of the tropical weed Parthenium hysterophorus (Asteraceae). It accounts for a multitude of biological activities, including toxicity, allergenicity, allelopathy, and pharmacological aspects of the plant. Thus far, parthenin and its derivatives have been tested for chemotherapeutic abilities, medicinal properties, and herbicidal/pesticidal activities. However, due to the lack of toxicity–bioactivity relationship studies, the versatile properties of parthenin are relatively less utilised. The possibility of exploiting parthenin in different scientific fields (e.g., chemistry, medicine, and agriculture) makes it a subject of analytical discussion. The present review highlights the multifaceted uses of parthenin, on-going research, constraints in the practical applicability, and the possible workarounds for its successful utilisation. The main aim of this comprehensive discussion is to bring parthenin to the attention of researchers, pharmacologists, natural product chemists, and chemical biologists and to open the door for its multidimensional applications.
Simultaneous Enantiomeric Separation of Carfentrazone-Ethyl Herbicide and Its Hydrolysis Metabolite Carfentrazone by Cyclodextrin Electrokinetic Chromatography. Analysis of Agrochemical Products and a Degradation Study
Authors: García-Cansino Laura , García María Ángeles , Marina María Luisa
Published: September 2021

The different activity and toxicity that the enantiomers of agrochemicals may have requires the development of stereoselective analytical methodologies enabling the individual determination of each enantiomer. The aim of this work was to develop the first Electrokinetic Chromatography methodology enabling the simultaneous enantiomeric separation of carfentrazone-ethyl herbicide and its hydrolysis metabolite carfentrazone. The use of an anionic cyclodextrin as chiral selector (captisol at 2.5% (w/v)) in a 25 mM acetate buffer, at a temperature of 30 °C, and an applied voltage (reverse polarity) of −30 kV, allowed the simultaneous separation of the four enantiomers of the two compounds studied in 6.8 min with enantiomeric resolutions of 5.0 for carfentrazone-ethyl and 5.1 for carfentrazone. Analytical characteristics of the developed method were evaluated and found adequate to achieve the quantitation of carfentrazone-ethyl and carfentrazone. Analysis of a commercial herbicide formulation showed the potential of the method for the quality control of these agrochemical products. Degradation studies for carfentrazone-ethyl revealed that no significant degradation took place in cleaned sand samples while a significant but not stereoselective degradation took place in soils for the whole period of time considered (seven days).
E-Nose Discrimination of Abnormal Fermentations in Spanish-Style Green Olives
Authors: Sánchez Ramiro , Martín-Tornero Elísabet , Lozano Jesús , Boselli Emanuele , Arroyo Patricia , Meléndez Félix , Martín-Vertedor Daniel
Published: September 2021

Current legislation in Spain indicates that table olives must be free of off-odors and off-flavors and without symptoms of ongoing alteration or abnormal fermentations. In this regard, the International Olive Council (IOC) has developed a protocol for the sensory classification of table olives according to the intensity of the predominantly perceived defect (PPD). An electronic nose (e-nose) was used to assess the abnormal fermentation defects of Spanish-style table olives that were previously classified by a tasting panel according to the IOC protocol, namely zapateria, butyric, putrid, and musty or humidity. When olives with different defects were mixed, the putrid defect had the greatest sensory impact on the others, while the butyric defect had the least sensory dominance. A total of 49 volatile compounds were identified by gas chromatography, and each defect was characterized by a specific profile. The e-nose data were analyzed using principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA). The different defects were clearly separated from each other and from the control treatment, independently of PPD intensity. Moreover, the e-nose differentiated control olives from table olives with combined sensory defects despite the dilution effect resulting from the combination. These results demonstrate that e-nose can be used as an olfactory sensor for the organoleptic classification of table olives and can successfully support the tasting panel.
Contribution of the Adenosine 2A Receptor to Behavioral Effects of Tetrahydrocannabinol, Cannabidiol and PECS-101
Authors: Stollenwerk Todd M. , Pollock Samantha , Hillard Cecilia J.
Published: September 2021

The cannabis-derived molecules, ∆9 tetrahydrocannabinol (THC) and cannabidiol (CBD), are both of considerable therapeutic interest for a variety of purposes, including to reduce pain and anxiety and increase sleep. In addition to their other pharmacological targets, both THC and CBD are competitive inhibitors of the equilibrative nucleoside transporter-1 (ENT-1), a primary inactivation mechanism for adenosine, and thereby increase adenosine signaling. The goal of this study was to examine the role of adenosine A2A receptor activation in the effects of intraperitoneally administered THC alone and in combination with CBD or PECS-101, a 4′-fluorinated derivative of CBD, in the cannabinoid tetrad, elevated plus maze (EPM) and marble bury assays. Comparisons between wild-type (WT) and A2AR knock out (A2AR-KO) mice were made. The cataleptic effects of THC were diminished in A2AR-KO; no other THC behaviors were affected by A2AR deletion. CBD (5 mg/kg) potentiated the cataleptic response to THC (5 mg/kg) in WT but not A2AR-KO. Neither CBD nor THC alone affected EPM behavior; their combination produced a significant increase in open/closed arm time in WT but not A2AR-KO. Both THC and CBD reduced the number of marbles buried in A2AR-KO but not WT mice. Like CBD, PECS-101 potentiated the cataleptic response to THC in WT but not A2AR-KO mice. PECS-101 also reduced exploratory behavior in the EPM in both genotypes. These results support the hypothesis that CBD and PECS-101 can potentiate the cataleptic effects of THC in a manner consistent with increased endogenous adenosine signaling.
Flexible Layered-Graphene Charge Modulation for Highly Stable Triboelectric Nanogenerator
Authors: Sahoo Mamina , Lai Sz-Nian , Wu Jyh-Ming , Wu Ming-Chung , Lai Chao-Sung
Published: September 2021

The continuous quest to enhance the output performance of triboelectric nanogenerators (TENGs) based on the surface charge density of the tribolayer has motivated researchers to harvest mechanical energy efficiently. Most of the previous work focused on the enhancement of negative triboelectric charges. The enhancement of charge density over positive tribolayer has been less investigated. In this work, we developed a layer-by-layer assembled multilayer graphene-based TENG to enhance the charge density by creatively introducing a charge trapping layer (CTL) Al2O3 in between the positive triboelectric layer and conducting electrode to construct an attractive flexible TENG. Based on the experimental results, the optimized three layers of graphene TENG (3L-Gr-TENG) with CTL showed a 30-fold enhancement in output power compared to its counterpart, 3L-Gr-TENG without CTL. This remarkably enhanced performance can be ascribed to the synergistic effect between the optimized graphene layers with high dielectric CTL. Moreover, the device exhibited outstanding stability after continuous operation of >2000 cycles. Additionally, the device was capable of powering 20 green LEDs and sufficient to power an electronic timer with rectifying circuits. This research provides a new insight to improve the charge density of Gr-TENGs as energy harvesters for next-generation flexible electronics.
Systematic Evaluation of Antioxidant Efficiency and Antibacterial Mechanism of Bitter Gourd Extract Stabilized Silver Nanoparticles
Authors: Moorthy Kavya , Chang Kai-Chih , Wu Wen-Jui , Hsu Jun-Yi , Yu Po-Jen , Chiang Cheng-Kang
Published: September 2021

In this study, we accentuate the facile and green synthesis of ecologically viable silver nanoparticles (AgNPs) using aqueous (A-BGE) and ethanolic (E-BGE) dried bitter gourd (Momordica charantia) fruit extract as reducing and capping agents. Although AgNPs synthesized using BGEs have been reported earlier in fundamental antimicrobial studies, the possible antioxidant activity, antibacterial efficacy against superbugs, and a potential antimicrobial mechanism are still lacking. The characterization of as-prepared AgNPs was studied through UV-vis, TEM, Zeta-potential, FT-IR, XRD, and XPS analysis. The antioxidant ability of BG-AgNPs was extensively evaluated through DPPH and FRAP assays, which showed that A-BG-AgNPs possessed higher scavenging ability and superior reducing power due to the high phenolic content present in the BG extract. Furthermore, A-BG-AgNPs were highly stable in various physiological media and displayed excellent antibacterial activity against drug-resistant bacterial strains (i.e., MIC value of 4 µg/mL). The generation of reactive oxygen species evidenced that the possible antimicrobial mechanism was induced by BG-AgNPs, resulting in bacterial cell damage. Within the minimal hemolysis, the BG-mediated AgNPs possessed synergistic antioxidant and antibacterial agents and open another avenue for the inhibition of the growth of pathogens.
Magnetization Reversal Process and Magnetostatic Interactions in Fe56Co44/SiO2/Fe3O4 Core/Shell Ferromagnetic Nanowires with Non-Magnetic Interlayer
Authors: García Javier , Manterola Alejandro M. , Méndez Miguel , Fernández-Roldán Jose Angel , Vega Víctor , González Silvia , Prida Víctor M.
Published: September 2021

Nowadays, numerous works regarding nanowires or nanotubes are being published, studying different combinations of materials or geometries with single or multiple layers. However, works, where both nanotube and nanowires are forming complex structures, are scarcer due to the underlying difficulties that their fabrication and characterization entail. Among the specific applications for these nanostructures that can be used in sensing or high-density magnetic data storage devices, there are the fields of photonics or spintronics. To achieve further improvements in these research fields, a complete understanding of the magnetic properties exhibited by these nanostructures is needed, including their magnetization reversal processes and control of the magnetic domain walls. In order to gain a deeper insight into this topic, complex systems are being fabricated by altering their dimensions or composition. In this work, a successful process flow for the additive fabrication of core/shell nanowires arrays is developed. The core/shell nanostructures fabricated here consist of a magnetic nanowire nucleus (Fe56Co44), grown by electrodeposition and coated by a non-magnetic SiO2 layer coaxially surrounded by a magnetic Fe3O4 nanotubular coating both fabricated by means of the Atomic Layer Deposition (ALD) technique. Moreover, the magnetization reversal processes of these coaxial nanostructures and the magnetostatic interactions between the two magnetic components are investigated by means of standard magnetometry and First Order Reversal Curve methodology. From this study, a two-step magnetization reversal of the core/shell bimagnetic nanostructure is inferred, which is also corroborated by the hysteresis loops of individual core/shell nanostructures measured by Kerr effect-based magnetometer.
Investigating the Role of Functional Polymorphism of Maternal and Neonatal Vitamin D Binding Protein in the Context of 25-Hydroxyvitamin D Cutoffs as Determinants of Maternal-Neonatal Vitamin D Status Profiles in a Sunny Mediterranean Region
Authors: Karras Spyridon N. , Dursun Erdinç , Alaylıoğlu Merve , Gezen-Ak Duygu , Annweiler Cedric , Al Anouti Fatme , Fakhoury Hana M. A. , Bais Alkiviadis , Kiortsis Dimitrios
Published: September 2021

Recent results indicate that dysregulation of vitamin D-binding protein (VDBP) could be involved in the development of hypovitaminosis D, and it comprises a risk factor for adverse fetal, maternal and neonatal outcomes. Until recently, there was a paucity of results regarding the effect of maternal and neonatal VDBP polymorphisms on vitamin D status during pregnancy in the Mediterranean region, with a high prevalence of hypovitaminosis D. We aimed to evaluate the combined effect of maternal and neonatal VDBP polymorphisms and different maternal and neonatal 25-hydroxyvitamin D (25(OH)D) cut-offs on maternal and neonatal vitamin D profile. Blood samples were obtained from a cohort of 66 mother–child pairs at birth. Our results revealed that: (i) Maternal VDBP polymorphisms do not affect neonatal vitamin D status at birth, in any given internationally adopted maternal or neonatal cut-off for 25(OH)D concentrations; (ii) neonatal VDBP polymorphisms are not implicated in the regulation of neonatal vitamin D status at birth; (iii) comparing the distributions of maternal VDBP polymorphisms and maternal 25(OH)D concentrations, with cut-offs at birth, revealed that mothers with a CC genotype for rs2298850 and a CC genotype for rs4588 tended to demonstrate higher 25(OH)D (≥75 nmol/L) during delivery (p = 0.05 and p = 0.04, respectively), after adjustments for biofactors that affect vitamin D equilibrium, including UVB, BMI and weeks of gestation. In conclusion, this study from Southern Europe indicates that maternal and neonatal VDBP polymorphisms do not affect neonatal vitamin D status at birth, whereas mothers with CC genotype for rs2298850 and CC genotype for rs4588 demonstrate higher 25(OH)D concentrations. Future larger studies are required to establish a causative effect of these specific polymorphisms in the attainment of an adequate (≥75 nmol/L) maternal vitamin D status during pregnancy.
Effects of Combining a Ketogenic Diet with Resistance Training on Body Composition, Strength, and Mechanical Power in Trained Individuals: A Narrative Review
Authors: Valenzuela Pedro L. , Castillo-García Adrián , Lucia Alejandro , Naclerio Fernando
Published: September 2021

Ketogenic diets (KD) have gained popularity in recent years among strength-trained individuals. The present review summarizes current evidence—with a particular focus on randomized controlled trials—on the effects of KD on body composition and muscle performance (strength and power output) in strength-trained individuals. Although long-term studies (>12 weeks) are lacking, growing evidence supports the effectiveness of an ad libitum and energy-balanced KD for reducing total body and fat mass, at least in the short term. However, no or negligible benefits on body composition have been observed when comparing hypocaloric KD with conventional diets resulting in the same energy deficit. Moreover, some studies suggest that KD might impair resistance training-induced muscle hypertrophy, sometimes with concomitant decrements in muscle performance, at least when expressed in absolute units and not relative to total body mass (e.g., one-repetition maximum). KD might therefore be a beneficial strategy for promoting fat loss, although it might not be a recommendable option to gain muscle mass and strength/power. More research is needed on the adoption of strategies for avoiding the potentially detrimental effect of KD on muscle mass and strength/power (e.g., increasing protein intake, reintroduction of carbohydrates before competition). In summary, evidence is as yet scarce to support a major beneficial effect of KD on body composition or performance in strength-trained individuals. Furthermore, the long-term effectiveness and safety of this type of diet remains to be determined.
Wellness in the Schools: A Lunch Intervention Increases Fruit and Vegetable Consumption
Authors: Koch Pamela A. , Wolf Randi L. , Trent Raynika J. , Ang Ian Yi Han , Dallefeld Matthew , Tipton Elizabeth , Gray Heewon L. , Guerra Laura , Di Noia Jennifer
Published: September 2021

Wellness in the Schools (WITS) is a national non-profit organization partnering with public schools to provide healthy, scratch cooked, less processed meals (called an Alternative Menu), and active recess. This study examined the effects of WITS programming on school lunch consumption, including fruit and vegetable intake, in second and third grade students in New York City public schools serving a high proportion of students from low-income households. The intervention was evaluated with a quasi-experimental, controlled design with 14 elementary schools (7 that had initiated WITS programming in fall 2015 and were designated as intervention schools, and 7 matched Control schools). School lunch consumption was assessed by anonymous observation using the System of Observational Cafeteria Assessment of Foods Eaten (SOCAFE) tool in the fall of 2015 (Time 0, early intervention) and the spring of 2016 (Time 1) and 2017 (Time 2). There were no baseline data. Data were also collected on the types of entrées served in the months of October, January, and April during the two school years of the study. Across time points, and relative to students in the Control schools, students in WITS schools ate more fruits and vegetables (units = cups): Time 0: Control 0.18 vs. WITS 0.28; Time 1: Control 0.25 vs. WITS 0.31; and Time 2: Control 0.19 vs. WITS 0.27; p < 0.001. They also had more fruits and vegetables (cups) on their trays, which included more vegetables from the salad bar. However, students in the WITS schools ate fewer entrées (grain and protein) and drank less milk than students in the Control schools. Compared to the Control schools, WITS schools offered more homestyle entrées and fewer finger foods and sandwich entrees, i.e., less processed food. Students in WITS schools who received the Alternative menu and all of the WITS programming at all data collection time points selected and consumed more fruits and vegetables. Replication studies with randomized designs and true baseline data are needed to confirm these findings and to identify avenues for strengthening the effects of the program on other school lunch components.
Zinc Nutritional Status and Risk Factors of Elderly in the China Adult Chronic Disease and Nutrition Surveillance 2015
Authors: Lu Jiaxi , Hu Yichun , Li Min , Liu Xiaobing , Wang Rui , Mao Deqian , Yang Xiaoguang , Yang Lichen
Published: September 2021

Objectives: To analyze the serum zinc nutrition status of the Chinese elderly, and to assess the risk factor for zinc deficiency. Methods: 3727 elderly people over 60 years old were randomly selected from 302 monitoring points in 31 provinces of China Adult Chronic Disease and Nutrition Surveillance (CACDNS) 2015. Blood samples were selected from the biological sample bank of CACDNS 2015 and the basic information were collected by questionnaires. The criteria of serum zinc deficiency recommended by the International Zinc Nutrition Consulting Group (IZiNCG) were adopted, and the related factors were also analyzed. Results: The median serum zinc concentration of Chinese elderly was 99.2 (84.3~118.7) μg/dL. The overall adjusted prevalence of zinc deficiency was 8.68%, with a 95% confidence interval (CI) of 7.74% and 9.61%. Significant differences were found in different sex, age groups, Body Mass Index (BMI), residence region, race and education level in terms of serum zinc status in the elderly (p < 0.05). Participants who are males, aged above 70y, with BMIs of less than 18.5 kg/m2, living in rural areas, minority, and with the lowest income had a higher prevalence of zinc deficiency in the subgroups under different classifications. The risk of zinc deficiency in the elderly over 70y was 1.44 higher than those aged 60–69y (OR = 1.44, 95%CI 1.14–1.82), and the minority elderly has a 1.39 higher risk than Han nationality (OR = 1.39, 95%CI 1.01–1.91), while overweight/obesity and female elderly were at lower risk (OR < 1, p < 0.05). Conclusions: The overall prevalence of zinc deficiency in the elderly was highest in all adults in the CACDNS. It is recommended that the male elderly, over 70 years, and the minority elderly should pay more attention to the zinc nutrition status of their own.
Analysis of Fat Content with Special Emphasis on Trans Isomers in Frequently Consumed Food Products in Egypt: The First Steps in the Trans Fatty Acid Elimination Roadmap
Authors: Ismail Ghada , Abo El Naga Randa , El Sayed Zaki Maysaa , Jabbour Jana , Al-Jawaldeh Ayoub
Published: September 2021

Trans Fatty Acid (TFA) intake is a risk factor for coronary heart diseases and cancer. Egypt, considered among the highest TFA consumers in the world, lacks proper dietary analysis of TFAs. This cross-sectional study aimed to analyze TFAs in traditional and frequently consumed food products. A market survey was conducted to identify products and brands that are mostly consumed in major governorates in Egypt. Laboratory analysis allowed for the profiling of TFAs, and saturated and unsaturated fatty acids. Products having more than 2 g of TFA/100 g of fat were considered to have an elevated TFA content. Commonly consumed food items (n = 208) in the Egyptian market were identified. On average, 34% of the products exceeded the TFA limit. Sambosk meat, a traditional meat item, had the highest TFA content of 5.2%, followed by foods fried with used oils. Oriental sweets had a TFA content three times higher than that of doughnuts. The fast-food group had the largest proportion of TFA-rich products, followed by the canned and frozen item groups and confectionaries. This study revealed that around one third of products in the Egyptian market have a high TFA content. This calls for urgent legislative action to regulate composition.
Human Breast Milk Composition and Function in Human Health: From Nutritional Components to Microbiome and MicroRNAs
Authors: Yi Dae , Kim Su
Published: September 2021

Human breast milk (HBM) is not only an indispensable source of nutrients for early human growth and development, supplying components that support infant growth and development, but also contains various essential immunologic components with anti-infectious activities and critical roles in the formation of immunity. It is also known that HBM contains its own unique microbiome, including beneficial, commensal, and potentially probiotic bacteria, that can contribute to infant gut colonization. In addition, HBM-derived extracellular vesicles, exosomes, and microRNA are attracting increasing interest for their potential to transfer to the infant and their role in infant development. In this article, we examine some of the various constituents in HBM and review the evidence supporting their associated health effects and their potential applications in human health.
The Effect of Caloric Restriction with and without n-3 PUFA Supplementation on Bone Turnover Markers in Blood of Subjects with Abdominal Obesity: A Randomized Placebo-Controlled Trial
Authors: Razny Urszula , Goralska Joanna , Calder Philip C. , Gruca Anna , Childs Caroline E. , Kapusta Maria , Slowinska-Solnica Krystyna , Dembinska-Kiec Aldona , Solnica Bogdan , Malczewska-Malec Malgorzata
Published: September 2021

Weight loss contributes to an increased risk of hip fracture, especially in postmenopausal women. Omega-3 polyunsaturated fatty acid (n-3 PUFA) supplementation could diminish the adverse effect of weight loss on bone health. The aim of this randomized, placebo-controlled, double-blind parallel trial was to investigate the effect of caloric restriction and n-3 PUFA supplement intake on osteogenic markers (carboxylated osteocalcin (Gla-OC); procollagen I N-terminal propeptide (PINP)), as well as a bone resorption marker (C-terminal telopeptide of type I collagen (CTX-I)) in a serum of 64 middle aged individuals (BMI 25–40 kg/m2) with abdominal obesity. Bone remodeling, metabolic and inflammatory parameters and adipokines were determined before and after 3 months of an isocaloric diet (2300–2400 kcal/day) or a low-calorie diet (1200 kcal/day for women and 1500 kcal/day for men) along with n-3 PUFA (1.8 g/day) or placebo capsules. CTX-I and adiponectin concentrations were increased following 7% weight loss independently of supplement use. Changes in CTX-I were positively associated with changes in adiponectin level (rho = 0.25, p = 0.043). Thus, an increase in serum adiponectin caused by body weight loss could adversely affect bone health. N-3 PUFAs were without effect.
Correction: Beran et al. Inosine Pranobex Significantly Decreased the Case-Fatality Rate among PCR Positive Elderly with SARS-CoV-2 at Three Nursing Homes in the Czech Republic. Pathogens 2020, 9, 1055
Authors: Beran Jirí , Špajdel Marian , Katzerová Věra , Holoušová Alena , Malyš Jan , Rousková Jana Finger , Slíva Jiří
Published: September 2021

There was an error in the original article [...]
pH-Dependent Structural Dynamics of Cathepsin D-Family Aspartic Peptidase of Clonorchis sinensis
Authors: Kang Jung-Mi , Lê Hương Giang , Na Byoung-Kuk , Yoo Won Gi
Published: September 2021

Cathepsin D (CatD; EC 3.4.23.5) family peptidases of parasitic organisms are regarded as potential drug targets as they play critical roles in the physiology and pathobiology of parasites. Previously, we characterized the biochemical features of cathepsin D isozyme 2 (CatD2) in the carcinogenic liver fluke Clonorchis sinensis (CsCatD2). In this study, we performed all-atomic molecular dynamics simulations by applying different systems for the ligand-free/bound forms under neutral and acidic conditions to investigate the pH-dependent structural alterations and associated functional changes in CsCatD2. CsCatD2 showed several distinctive characteristics as follows: (1) acidic pH caused major conformational transitions from open to closed state in this enzyme; (2) during 30–36-ns simulations, acidic pH contributed significantly to the formation of rigid β-sheets around the catalytic residue Asp219, higher occupancy (0% to 99%) of hydrogen bond than that of Asp33, and enhanced stabilization of the CsCatD2-inhibtor complex; (3) neutral pH-induced displacement of the N-terminal part to hinder the accessibility of the active site and open allosteric site of this enzyme; and (4) the flap dynamics metrics, including distance (d1), TriCα angles (θ1 and θ2), and dihedral angle (ϕ), account for the asymmetrical twisting motion of the active site of this enzyme. These findings provide an in-depth understanding of the pH-dependent structural dynamics of free and bound forms of CsCatD2 and basic information for the rational design of an inhibitor as a drug targeting parasitic CatD.
Sub-Micromolar Inhibition of SARS-CoV-2 3CLpro by Natural Compounds
Authors: Rizzuti Bruno , Ceballos-Laita Laura , Ortega-Alarcon David , Jimenez-Alesanco Ana , Vega Sonia , Grande Fedora , Conforti Filomena , Abian Olga , Velazquez-Campoy Adrian
Published: September 2021

Inhibiting the main protease 3CLpro is the most common strategy in the search for antiviral drugs to fight the infection from SARS-CoV-2. We report that the natural compound eugenol is able to hamper in vitro the enzymatic activity of 3CLpro, the SARS-CoV-2 main protease, with an inhibition constant in the sub-micromolar range (Ki = 0.81 μM). Two phenylpropene analogs were also tested: the same effect was observed for estragole with a lower potency (Ki = 4.1 μM), whereas anethole was less active. The binding efficiency index of these compounds is remarkably favorable due also to their small molecular mass (MW < 165 Da). We envision that nanomolar inhibition of 3CLpro is widely accessible within the chemical space of simple natural compounds.
New Molecular Targets for Antidepressant Drugs
Authors: Kornhuber Johannes , Gulbins Erich
Published: September 2021

Major depressive disorder (MDD) is a common and severe mental disorder that is usually recurrent and has a high risk of suicide. This disorder manifests not only with psychological symptoms but also multiple changes throughout the body, including increased risks of obesity, diabetes, and cardiovascular disease. Peripheral markers of oxidative stress and inflammation are elevated. MDD is therefore best described as a multisystem whole-body disease. Pharmacological treatment with antidepressants usually requires several weeks before the desired effects manifest. Previous theories of depression, such as the monoamine or neurogenesis hypotheses, do not explain these characteristics well. In recent years, new mechanisms of action have been discovered for long-standing antidepressants that also shed new light on depression, including the sphingolipid system and the receptor for brain-derived neurotrophic factor (BDNF).
Eucommia ulmoides Leaf Polysaccharide in Conjugation with Ovalbumin Act as Delivery System Can Improve Immune Response
Authors: Feng Haibo , Yang Jie , Zhi Hui , Hu Xin , Yang Yan , Zhang Linzi , Liu Qianqian , Feng Yangyang , Wu Daiyan , Li Hangyu
Published: September 2021

In this investigation, to maximize the desired immunoenhancement effects of PsEUL and stimulate an efficient humoral and cellular immune response against an antigen, PsEUL and the model antigen ovalbumin (OVA) were coupled using the N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide hydrochloride (EDC) reaction to yield a novel delivery system (PsEUL-OVA). The physicochemical characteristics and immune regulation effects of this new system were investigated. We found the yield of this EDC method to be 46.25%. In vitro, PsEUL-OVA (200 μg mL−1) could enhance macrophage proliferation and increase their phagocytic efficiency. In vivo, PsEUL-OVA could significantly increase the levels of OVA-specific antibody (IgG, IgG1, IgG2a, and IgG2b) titers and cytokine (IL-2, IL-4, IL-6, IFN-γ) levels. Additionally, it could activate T lymphocytes and facilitate the maturation of dendritic cells (DCs). These findings collectively suggested that PsEUL-OVA induced humoral and cellular immune responses by promoting the phagocytic activity of macrophages and DCs. Taken together, these results revealed that PsEUL-OVA had the potential to improve immune responses and provide a promising theoretical basis for the design of a novel delivery system.