bluuebunny/crossref_metadata_2025 huggingface dataset:
Multidrug-Resistant Bacteria Isolated from Different Aquatic Environments in the North of Spain and South of France
Authors: Pérez-Etayo Lara , González David , Leiva José , Vitas Ana Isabel
Published: September 2020

Due to the global progress of antimicrobial resistance, the World Health Organization (WHO) published the list of the antibiotic-resistant “priority pathogens” in order to promote research and development of new antibiotics to the families of bacteria that cause severe and often deadly infections. In the framework of the One Health approach, the surveillance of these pathogens in different environments should be implemented in order to analyze their spread and the potential risk of transmission of antibiotic resistances by food and water. Therefore, the objective of this work was to determine the presence of high and critical priority pathogens included in the aforementioned list in different aquatic environments in the POCTEFA area (North Spain–South France). In addition to these pathogens, detection of colistin-resistant Enterobacteriaceae was included due its relevance as being the antibiotic of choice to treat infections caused by multidrug resistant bacteria (MDR). From the total of 80 analyzed samples, 100% of the wastewater treatment plants (WWTPs) and collectors (from hospitals and slaughterhouses) and 96.4% of the rivers, carried antibiotic resistant bacteria (ARB) against the tested antibiotics. Fifty-five (17.7%) of the isolates were identified as target microorganisms (high and critical priority pathogens of WHO list) and 58.2% (n = 32) of them came from WWTPs and collectors. Phenotypic and genotypic characterization showed that 96.4% were MDR and resistance to penicillins/cephalosporins was the most widespread. The presence of bla genes, KPC-type carbapenemases, mcr-1 and vanB genes has been confirmed. In summary, the presence of clinically relevant MDR bacteria in the studied aquatic environments demonstrates the need to improve surveillance and treatments of wastewaters from slaughterhouses, hospitals and WWTPs, in order to minimize the dispersion of resistance through the effluents of these areas.
Metal Mobility in a Mine-Affected Floodplain
Authors: Ciszewski Dariusz , Aleksander-Kwaterczak Urszula
Published: September 2020

The study attempted to map and predict the remobilization of metals in a floodplain which had been heavily affected by long-term Zn–Pb mining. This research, based on Zn, Cd, Pb, Ca and Fe speciation, mineralogy and the stratigraphy of sediments which had accumulated over the distance of a dozen or so km from the mine, revealed variable potential for metal mobilization. The results suggest that a drop in the water table, something to be expected after the closure of a mine, would be accompanied by a decrease in the pH of the river water and can induce the remobilization of metals associated with carbonates and exchangeable cations over the short-reach downstream of the mine. However, the mobilization of contaminants may be impeded by the alkaline, impermeable stratum of loams, which play a pivotal role in maintaining anaerobic conditions and buffering the acidity resulting from the partial degradation of sulfides. Based on the findings of the study, it can be expected that the intrinsic attenuation will limit the need for remediation works, although monitoring river water quality is recommended to determine the need for any intervention in cases where permissible quality values have been exceeded over a longer period. Results of this research can be useful as a reference for remediation works planned in other contaminated river systems experiencing water table lowering, where the mobilization of contaminants as a consequence of sediment oxidization can be expected.
Geochemical Constraints on Mantle Melting and Magma Genesis at Pohnpei Island, Micronesia
Authors: Zong Tong , Li Zheng-Gang , Dong Yan-Hui , Li Xu-Ping , Zhu Ji-Hao , Chen Ling , Liu Ji-Qiang
Published: September 2020

The lithospheric mantle is of paramount importance in controlling the chemical composition of ocean island basalts (OIBs), influencing partial melting and magma evolution processes. To improve the understanding of these processes, the pressure–temperature conditions of mantle melting were investigated, and liquid lines of descent were modelled for OIBs on Pohnpei Island. The studied basaltic samples are alkalic, and can be classified as SiO2-undersaturated or SiO2-saturated series rocks, with the former having higher TiO2 and FeOT contents but with no distinct trace-element composition, suggesting melting of a compositionally homogenous mantle source at varying depths. Both series underwent sequential crystallization of olivine, clinopyroxene, Fe–Ti oxides, and minor plagioclase and alkali feldspar. Early magnetite crystallization resulted from initially high FeOT contents and oxygen fugacity, and late feldspar crystallization was due to initially low Al2O3 contents and alkali enrichment of the evolved magma. The Pohnpei lavas formed at estimated mantle-melting temperatures of 1486–1626 °C (average 1557 ± 43 °C, 1σ), and pressures of 2.9–5.1 GPa (average 3.8 ± 0.7 GPa), with the SiO2-undersaturated series forming at higher melting temperatures and pressures. Trace-element compositions further suggest that garnet rather than spinel was a residual phase in the mantle source during the melting process. Compared with the Hawaiian and Louisville seamount chains, Pohnpei Island underwent much lower degrees of mantle melting at greater depth, possibly due to a thicker lithosphere.
Modelling and Planning Evolution Styles in Software Architecture
Authors: Djibo Kadidiatou , Oussalah Mourad Chabane , Konate Jacqueline
Published: September 2020

The purpose of this study is to find the right model to plan and predict future evolution paths of an evolving software architecture based on past evolution data. Thus, in this paper, a model to represent the software architecture evolution process is defined. In order to collect evolution data, a simple formalism allowing to easily express software architecture evolution data is introduced. The sequential pattern extraction technique is applied to the collected evolution styles of an evolving software architecture in order to predict and plan the future evolution paths. A learning and prediction model is defined to generate the software architecture possible future evolution paths. A method for evaluating the generated paths is presented. In addition, we explain and validate our approach through a study on two examples of evolution of component-oriented software architecture.
Second-Generation Lignocellulosic Supportive Material Improves Atomic Ratios of C:O and H:O and Thermomechanical Behavior of Hybrid Non-Woody Pellets
Authors: Moreira Bruno Rafael de Almeida , Viana Ronaldo da Silva , Cruz Victor Hugo , Magalhães Anderson Chagas , Miasaki Celso Tadao , Figueiredo Paulo Alexandre Monteiro de , Lisboa Lucas Aparecido Manzani , Ramos Sérgio Bispo , Sánchez Douglas Enrique Juárez , Teixeira Filho Marcelo Carvalho Minhoto , May André
Published: September 2020

Pellets refer to solid biofuels for heating and power. The pellet’s integrity is of great relevant to ensure safe and effective transportation and storage, and comfort to stakeholders. Several materials that are supportive, whether organic and inorganic, to pellets exist. However, no work in the literature is linking making hybrid non-wood pellets with addition of residual biomass from distillation of cellulosic bioethanol, and this requires further investigations. Figuring out how effective this challenging agro-industrial residue could be for reinforcing non-wood pellets is accordingly the scientific point of this study focusing on management of waste and valorization of biomass. The pilot-scale manufacturing of hybrid pellets consisted of systematically pressing sugarcane bagasse with the lignocellulosic reinforcement at the mass ratios of 3:1, 1:1, and 1:3 on an automatic pelletizer machine at 200 MPa and 125 °C. Elemental contents of C and H, durability, and energy density all increased significantly from 50.05 to 53.50%, 5.95 to 7.80%, 95.90 to 99.55%, and 28.20 to 31.20 MJ kg−1, respectively, with blending the starting material with the reinforcement at 1:3. Preliminary evidence of residual biomass from distillation of second-generation bioethanol capable of highly improving molecular flammable/combustible properties, mechanical stability, and fuel power of composite non-wood pellets exist.
Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks
Authors: Windischbacher Andreas , Steiner Luca , Haldar Ritesh , Wöll Christof , Zojer Egbert , Kelterer Anne-Marie
Published: September 2020

In recent years, the photophysical properties of crystalline metal-organic frameworks (MOFs) have become increasingly relevant for their potential application in light-emitting devices, photovoltaics, nonlinear optics and sensing. The availability of high-quality experimental data for such systems makes them ideally suited for a validation of quantum mechanical simulations, aiming at an in-depth atomistic understanding of photophysical phenomena. Here we present a computational DFT study of the absorption and emission characteristics of a Zn-based surface-anchored metal-organic framework (Zn-SURMOF-2) containing anthracenedibenzoic acid (ADB) as linker. Combining band-structure and cluster-based simulations on ADB chromophores in various conformations and aggregation states, we are able to provide a detailed explanation of the experimentally observed photophysical properties of Zn-ADB SURMOF-2: The unexpected (weak) red-shift of the absorption maxima upon incorporating ADB chromophores into SURMOF-2 can be explained by a combination of excitonic coupling effects with conformational changes of the chromophores already in their ground state. As far as the unusually large red-shift of the emission of Zn-ADB SURMOF-2 is concerned, based on our simulations, we attribute it to a modification of the exciton coupling compared to conventional H-aggregates, which results from a relative slip of the centers of neighboring chromophores upon incorporation in Zn-ADB SURMOF-2.
Enhanced Extraction Technique of Omarigliptin from Human Plasma—Applied to Biological Samples from Healthy Human Volunteers
Authors: Mowaka Shereen , Ashoush Nermeen , Tadros Mariam , El Zahar Noha , Ayoub Bassam
Published: September 2020

Enhancing drug extraction from human plasma is a challenging approach that critically affects pharmacokinetic and any further clinical studies based on the drug Cmin and Cmax values. It also has a serious impact on the sensitivity and the lower limit of quantification (LLOQ) value of the bio-analytical methods. An advanced liquid chromatography tandem mass spectrometry (LC-MS/MS) bio-analytical method of omarigliptin (25–1000 nM) was established in human plasma using one-step liquid-liquid extraction. Alogliptin was used as an internal standard (IS) to attain good recovery and reproducibility while reducing the effects of the matrix. Enhanced plasma extraction of omarigliptin was successfully achieved with tertiary butyl methyl ether—diethyl ether (TBME-DEE) mixture as the extracting solvent, while using acetonitrile as the diluent solvent for the IS to effectively decrease the formed emulsion. Multiple Reaction Monitoring (MRM) of the transition pairs of m/z 399.2 to 153.0 for omarigliptin and m/z 340.2 to 116.0 for alogliptin was employed in positive Electro Spray Ionization (ESI) mode. Human plasma samples were collected after 1.5 h (tmax) of Marizev® (12.5 mg) tablets administration to healthy human volunteers showing average concentration of 292.18 nM. Validation results were all satisfactory including successful stability studies with bias below 12%. The proposed study will be valuable for ethnicity comparison studies that will be commenced on omarigliptin in Egypt by the authors in prospective study, following the FDA recommends, to evaluate possible sub-group dissimilarities that include pharmacokinetic parameters.
UPLC-qTOF-MS Phytochemical Profile and Antiulcer Potential of Cyperus conglomeratus Rottb. Alcoholic Extract
Authors: Elshamy Abdelsamed I. , Farrag Abdel Razik H. , Ayoub Iriny M. , Mahdy Karam A. , Taher Rehab F. , Gendy Abd El-Nasser G. EI , Mohamed Tarik A. , Al-Rejaie Salim S. , EI-Amier Yasser A. , Abd-EIGawad Ahmed M. , Farag Mohamed A.
Published: September 2020

Cyperus has been commonly used as a multi-use medicinal plant in folk medicine worldwide. The objectives of our study were to determine the different metabolites in the Cyperus conglomeratus Rottb. methanol extract, and to assess its in vivo gastroprotective effect in ethanol-induced gastric ulcer model in rats. Serum levels of galactin-3 and TNF-α were employed as biochemical markers. To pinpoint for active agents, comprehensive metabolites profiling of extract via UPLC-qTOF-MS/MS was employed. A total of 77 chromatographic peaks were detected, of which 70 were annotated. The detected metabolites were categorized into phenolic acids and their derivatives, flavonoids, stilbenes, aurones, quinones, terpenes, and steroids. Rats were divided into six groups; healthy control, ulcer control, standard drug group, and 25, 50, 100 mg/kg of C. conglomeratus treated rats. Pre-treatment with C. conglomeratus alcohol extract significantly reduced galactin-3, and TNF-α in ethanol-induced ulcer model at 25, 50, and 100 mg/kg. Further histopathological and histochemical studies revealed moderate erosion of superficial epithelium, few infiltrated inflammatory cells, and depletion of gastric tissue glycoprotein in the ulcer group. Treatment with the extract protected the gastric epithelial cells in a dose-dependent manner. It could be concluded that C. conglomeratus extract provides significant gastroprotective activity in ethanol-induced gastric ulcer and ought to be included in nutraceuticals in the future for ulcer treatment.
Elaeagnus angustifolia Plant Extract Inhibits Epithelial-Mesenchymal Transition and Induces Apoptosis via HER2 Inactivation and JNK Pathway in HER2-Positive Breast Cancer Cells
Authors: Jabeen Ayesha , Sharma Anju , Gupta Ishita , Kheraldine Hadeel , Vranic Semir , Al Moustafa Ala-Eddin , Al Farsi Halema F.
Published: September 2020

Elaeagnus angustifolia (EA) is a medicinal plant used for treating several human diseases in the Middle East. Meanwhile, the outcome of EA extract on HER2-positive breast cancer remains nascent. Thus, we herein investigated the effects of the aqueous EA extract obtained from the flowers of EA on two HER2-positive breast cancer cell lines, SKBR3 and ZR75-1. Our data revealed that EA extract inhibits cell proliferation and deregulates cell-cycle progression of these two cancer cell lines. EA extract also prevents the progression of epithelial-mesenchymal transition (EMT), an important event for cancer invasion and metastasis; this is accompanied by upregulations of E-cadherin and β-catenin, in addition to downregulations of vimentin and fascin, which are major markers of EMT. Thus, EA extract causes a drastic decrease in cell invasion ability of SKBR3 and ZR75-1 cancer cells. Additionally, we found that EA extract inhibits colony formation of both cell lines in comparison with their matched control. The molecular pathway analysis of HER2 and JNK1/2/3 of EA extract exposed cells revealed that it can block HER2 and JNK1/2/3 activities, which could be the major molecular pathway behind these events. Our findings implicate that EA extract may possess chemo-preventive effects against HER2-positive breast cancer via HER2 inactivation and specifically JNK1/2/3 signaling pathways.
Template Synthesis of Porous Ceria-Based Catalysts for Environmental Application
Authors: Kaplin Igor Yu. , Lokteva Ekaterina S. , Golubina Elena V. , Lunin Valery V.
Published: September 2020

Porous oxide materials are widely used in environmental catalysis owing to their outstanding properties such as high specific surface area, enhanced mass transport and diffusion, and accessibility of active sites. Oxides of metals with variable oxidation state such as ceria and double oxides based on ceria also provide high oxygen storage capacity which is important in a huge number of oxidation processes. The outstanding progress in the development of hierarchically organized porous oxide catalysts relates to the use of template synthetic methods. Single and mixed oxides with enhanced porous structure can serve both as supports for the catalysts of different nature and active components for catalytic oxidation of volatile organic compounds, soot particles and other environmentally dangerous components of exhaust gases, in hydrocarbons reforming, water gas shift reaction and photocatalytic transformations. This review highlights the recent progress in synthetic strategies using different types of templates (artificial and biological, hard and soft), including combined ones, in the preparation of single and mixed oxide catalysts based on ceria, and provides examples of their application in the main areas of environmental catalysis.
Probing the Highly Disparate Dual Inhibitory Mechanisms of Novel Quinazoline Derivatives against Mycobacterium tuberculosis Protein Kinases A and B
Authors: Olotu Fisayo A. , Soliman Mahmoud E.
Published: September 2020

Mycobacterium tuberculosis (Mtb) serine/threonine (Ser/Thr) Protein kinases A (PknA) and B (PknB) have been identified as highly attractive targets for overcoming drug resistant tuberculosis. A recent lead series optimization study yielded compound 33 which exhibited potencies ~1000 times higher than compound 57. This huge discrepancy left us curious to investigate the mechanistic ‘dual’ (in)activities of the compound using computational methods, as carried out in this study. Findings revealed that 33 stabilized the PknA and B conformations and reduced their structural activities relative to 57. Optimal stability of 33 in the hydrophobic pockets further induced systemic alterations at the P-loops, catalytic loops, helix Cs and DFG motifs of PknA and B. Comparatively, 57 was more surface-bound with highly unstable motions. Furthermore, 33 demonstrated similar binding patterns in PknA and B, involving conserved residues of their binding pockets. Both π and hydrogen interactions played crucial roles in the binding of 33, which altogether culminated in high ΔGs for both proteins. On the contrary, the binding of 57 was characterized by unfavorable interactions with possible repulsive effects on its optimal dual binding to both proteins, as evidenced by the relatively lowered ΔGs. These findings would significantly contribute to the rational structure-based design of novel and highly selective dual inhibitors of Mtb PknA and B.
In Vitro Antimicrobial Activity of Isopimarane-Type Diterpenoids
Authors: Isca Vera M. S. , Andrade Joana , Fernandes Ana Sofia , Paixão Paulo , Uriel Clara , Gómez Ana María , Duarte Noélia , Rijo Patrícia
Published: September 2020

The antimicrobial evaluation of twelve natural and hemisynthetic isopimarane diterpenes are reported. The compounds were evaluated against a panel of Gram-positive bacteria, including two methicillin-resistant Staphylococcus aureus (MRSA) strains and one vancomycin-resistant Enterococcus (VRE) strain. Only natural compounds 7,15-isopimaradien-19-ol (1) and 19-acetoxy-7,15-isopimaradien-3β-ol (6) showed promising results. Isopimarane (1) was the most active, showing MIC values between 6.76 µM against S. aureus (ATCC 43866) and 216.62 µM against E. faecalis (FFHB 427483) and E. flavescens (ATCC 49996). Compound (6) showed moderated activity against all tested microorganisms (MIC between value 22.54 and 45.07 µM). These compounds were found to be active against the methicillin-sensitive strains of S. aureus (CIP 106760 and FFHB 29593), showing MIC values of 13.55 (1) and 22.54 (6) µM. Both compounds were also active against vancomycin-resistant E. faecalis (ATCC 51299) (MIC values of 54.14 and 45.07 µM, respectively). In addition, the cytotoxicity of nine compounds 7,15-isopimaradien-3β,19-diol (2); mixture: 15-isopimarene-8β-isobutyryloxy-19-ol and 15-isopimarene-8β-butyryloxy-19-ol (3); 3β-acetoxy-7,15-isopimaradiene-19-ol (5); 19-acetoxy-7,15-isopimaradiene-3β-ol (6); 3β,19-diacetoxy-7,15-isopimaradiene (8); 15-isopimarene-8β,19-diol (9); 19-O-β-d-glucopyranoside-7,15-isopimaradiene (10); lagascatriol-16-O-β-d-glucopyranoside (11) and lagascatriol-16-O-α-d-mannopyranoside (12) was evaluated in the human breast cancer cell line MDA-MB-231. Isopimarane (2) was the only compound showing some cytotoxicity. The IC50 value of compound (2) was 15 µM, suggesting a mild antiproliferative activity against these breast cancer cells.
Antiproliferative and Pro-Apoptotic Effect of Uvaol in Human Hepatocarcinoma HepG2 Cells by Affecting G0/G1 Cell Cycle Arrest, ROS Production and AKT/PI3K Signaling Pathway
Authors: Bonel-Pérez Gloria C. , Pérez-Jiménez Amalia , Gris-Cárdenas Isabel , Parra-Pérez Alberto M. , Lupiáñez José Antonio , Reyes-Zurita Fernando J. , Siles Eva , Csuk René , Peragón Juan , Rufino-Palomares Eva E.
Published: September 2020

Natural products have a significant role in the development of new drugs, being relevant the pentacyclic triterpenes extracted from Olea europaea L. Anticancer effect of uvaol, a natural triterpene, has been scarcely studied. The aim of this study was to understand the anticancer mechanism of uvaol in the HepG2 cell line. Cytotoxicity results showed a selectivity effect of uvaol with higher influence in HepG2 than WRL68 cells used as control. Our results show that uvaol has a clear and selective anticancer activity in HepG2 cells supported by a significant anti-migratory capacity and a significant increase in the expression of HSP-60. Furthermore, the administration of this triterpene induces cell arrest in the G0/G1 phase, as well as an increase in the rate of cell apoptosis. These results are supported by a decrease in the expression of the anti-apoptotic protein Bcl2, an increase in the expression of the pro-apoptotic protein Bax, together with a down-regulation of the AKT/PI3K signaling pathway. A reduction in reactive oxygen species (ROS) levels in HepG2 cells was also observed. Altogether, results showed anti-proliferative and pro-apoptotic effect of uvaol on hepatocellular carcinoma, constituting an interesting challenge in the development of new treatments against this type of cancer.
Synthesis and Characterization of Graphene Oxide and Reduced Graphene Oxide Composites with Inorganic Nanoparticles for Biomedical Applications
Authors: Jagiełło Joanna , Chlanda Adrian , Baran Magdalena , Gwiazda Marcin , Lipińska Ludwika
Published: September 2020

Graphene oxide (GO) and reduced graphene oxide (RGO), due to their large active surface areas, can serve as a platform for biological molecule adhesion (both organic and inorganic). In this work we described methods of preparing composites consisting of GO and RGO and inorganic nanoparticles of specified biological properties: nanoAg, nanoAu, nanoTiO2 and nanoAg2O. The idea of this work was to introduce effective methods of production of these composites that could be used for future biomedical applications such as antibiotics, tissue regeneration, anticancer therapy, or bioimaging. In order to characterize the pristine graphene materials and resulting composites, we used spectroscopic techniques: XPS and Raman, microscopic techniques: SEM with and AFM, followed by X-Ray diffraction. We obtained volumetric composites of flake graphene and Ag, Au, Ag2O, and TiO2 nanoparticles; moreover, Ag nanoparticles were obtained using three different approaches.
Synchrotron Characterization of Hexagonal and Cubic Lipidic Phases Loaded with Azolate/Phosphane Gold(I) Compounds: A New Approach to the Uploading of Gold(I)-Based Drugs
Authors: Astolfi Paola , Pisani Michela , Giorgini Elisabetta , Rossi Barbara , Damin Alessandro , Vita Francesco , Francescangeli Oriano , Luciani Lorenzo , Galassi Rossana
Published: September 2020

Gold(I) phosphane compounds have recently attracted a renewed interest as potential new protagonists in cancer therapy. A class of phosphane gold(I) complexes containing azolate ligands has been successfully tested against several cancer cell lines and, in particular, against basal-like breast (BLB) cancer, a form characterized by strongly severe diagnosis and short life lapse after classic chemotherapy. Even though the anticancer activity of gold(I) phosphane compounds is thoroughly ascertained, no study has been devoted to the possibility of their delivery in nanovectors. Herein, nonlamellar lyotropic liquid crystalline lipid nanosystems, a promising class of smart materials, have been used to encapsulate gold(I) azolate/phosphane complexes. In particular, ((triphenylphosphine)-gold(I)-(4,5-dichloroimidazolyl-1H-1yl)) (C-I) and ((triphenylphosphine)-gold(I)-(4,5-dicyanoimidazolyl-1H-1yl)) (C-II) have been encapsulated in three different lipid matrices: monoolein (GMO), phytantriol (PHYT) and dioleoyl-phosphatidylethanolamine (DOPE). An integrated experimental approach involving X-ray diffraction and UV resonant Raman (UVRR) spectroscopy, based on synchrotron light and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, has been employed to establish the effects of drug encapsulation on the structure and phase behavior of the host mesophases. The results indicate that gold(I) complexes C-I and C-II are successfully encapsulated in the three lipid matrices as evidenced by the drug-induced phase transitions or by the changes in the mesophase lattice parameters observed in X-ray diffraction experiments and by the spectral changes occurring in UV resonant Raman spectra upon loading the lipid matrices with C-I and C-II.
Obese Adipose Tissue Secretion Induces Inflammation in Preadipocytes: Role of Toll-Like Receptor-4
Authors: Renovato-Martins Mariana , Moreira-Nunes Catharina , Atella Georgia C. , Barja-Fidalgo Christina , Moraes João Alfredo de
Published: September 2020

In obesity, the dysfunctional adipose tissue (AT) releases increased levels of proinflammatory adipokines such as TNFα, IL-6, and IL-1β and free fatty acids (FFAs), characterizing a chronic, low-grade inflammation. Whilst FFAs and proinflammatory adipokines are known to elicit an inflammatory response within AT, their relative influence upon preadipocytes, the precursors of mature adipocytes, is yet to be determined. Our results demonstrated that the conditioned medium (CM) derived from obese AT was rich in FFAs, which guided us to evaluate the role of TLR4 in the induction of inflammation in preadipocytes. We observed that CM derived from obese AT increased reactive oxygen species (ROS) levels and NF-ĸB nuclear translocation together with IL-6, TNFα, and IL-1β in 3T3-L1 cells in a TLR4-dependent manner. Furthermore, TLR4 signaling was involved in the increased expression of C/EBPα together with the release of leptin, adiponectin, and proinflammatory mediators, in response to the CM derived from obese AT. Our results suggest that obese AT milieu secretes lipokines, which act in a combined paracrine/autocrine manner, inducing inflammation in preadipocytes via TLR4 and ROS, thus creating a paracrine loop that facilitates the differentiation of adipocytes with a proinflammatory profile.
A Mediterranean Dietary Pattern Predicts Better Sleep Quality in US Women from the American Heart Association Go Red for Women Strategically Focused Research Network
Authors: Zuraikat Faris M. , Makarem Nour , St-Onge Marie-Pierre , Xi Huaqing , Akkapeddi Alekha , Aggarwal Brooke
Published: September 2020

Consumption of a Mediterranean diet has been linked to better sleep health in older, European populations. However, whether this dietary pattern is predictive of sleep quality in US women, a group prone to poor sleep, is unknown. This prospective cohort study of 432 US women (20–76 y; 60% racial/ethnic minority) evaluated whether compliance with a Mediterranean diet at baseline predicted sleep quality at 1-y follow-up. Alternate Mediterranean (aMed) diet scores and habitual sleep quality were computed from the validated Block Brief Food Frequency Questionnaire and Pittsburgh Sleep Quality Index (PSQI), respectively. Linear regression models evaluated prospective associations of the aMed diet pattern and its components with measures of sleep quality, after adjustment for age, BMI, race/ethnicity, education, and health insurance status. Higher baseline aMed scores were associated with lower PSQI scores (β = −0.30 ± 0.10, p < 0.01), indicative of better sleep quality, higher sleep efficiency (β = 1.20 ± 0.35, p < 0.001), and fewer sleep disturbances (β = −0.30 ± 0.12, p = 0.01) at 1-y. Fruit and vegetable consumption also predicted lower PSQI scores, higher sleep efficiency and fewer sleep disturbances (all p < 0.05). Higher legume intake predicted better sleep efficiency (β = 1.36 ± 0.55, p = 0.01). These findings suggest that adherence to a Mediterranean diet pattern should be evaluated as a strategy to promote sleep quality in US women.
Impact of Sampling Period on Population Pharmacokinetic Analysis of Antibiotics: Why do You Take Blood Samples Following the Fourth Dose?
Authors: Kim So Won , Kim Dong Jin , Zang Dae Young , Lee Dong-Hwan
Published: September 2020

To date, many population pharmacokinetic models of antibiotics have been developed using blood sampling data after the fourth or fifth dose, which represents steady-state levels. However, if a model developed using blood sampled after the first dose is equivalent to that using blood sampled after the fourth dose, it would be advantageous to utilize the former. The aim of this study was to investigate the effect of blood sampling after the first and/or fourth drug administration on the accuracy and precision of parameter estimates. A previously reported robust, two-compartment model of vancomycin was used for simulation to evaluate the performances of the parameter estimates. The parameter estimation performances were assessed using relative bias and relative root mean square error. Performance was investigated in 72 scenarios consisting of a combination of two blood sampling periods (the first and fourth dose), two total clearances, three infusion times, and four sample sizes. The population pharmacokinetic models from data collected at the first dose and those collected at the fourth dose produced parameter estimates that were similar in accuracy and precision. This study will contribute to increasing the efficiency and simplicity of antibiotic pharmacokinetic studies.
Uncovering New Drug Properties in Target-Based Drug–Drug Similarity Networks
Authors: Udrescu Lucreţia , Bogdan Paul , Chiş Aimée , Sîrbu Ioan Ovidiu , Topîrceanu Alexandru , Văruţ Renata-Maria , Udrescu Mihai
Published: September 2020

Despite recent advances in bioinformatics, systems biology, and machine learning, the accurate prediction of drug properties remains an open problem. Indeed, because the biological environment is a complex system, the traditional approach—based on knowledge about the chemical structures—can not fully explain the nature of interactions between drugs and biological targets. Consequently, in this paper, we propose an unsupervised machine learning approach that uses the information we know about drug–target interactions to infer drug properties. To this end, we define drug similarity based on drug–target interactions and build a weighted Drug–Drug Similarity Network according to the drug–drug similarity relationships. Using an energy-model network layout, we generate drug communities associated with specific, dominant drug properties. DrugBank confirms the properties of 59.52% of the drugs in these communities, and 26.98% are existing drug repositioning hints we reconstruct with our DDSN approach. The remaining 13.49% of the drugs seem not to match the dominant pharmacologic property; thus, we consider them potential drug repurposing hints. The resources required to test all these repurposing hints are considerable. Therefore we introduce a mechanism of prioritization based on the betweenness/degree node centrality. Using betweenness/degree as an indicator of drug repurposing potential, we select Azelaic acid and Meprobamate as a possible antineoplastic and antifungal, respectively. Finally, we use a test procedure based on molecular docking to analyze Azelaic acid and Meprobamate’s repurposing.
Field Survey and Resistance Occurrence to ALS-Inhibiting Herbicides in Glebionis coronaria L. in Tunisian Wheat Crops
Authors: Hada Zeineb , Khammassi Messaad , Jenfaoui Houda , Menchari Yosra , Torra Joel , Souissi Thouraya
Published: September 2020

Glebionis coronaria (L.) Cass. ex Spach is a troublesome weed in cereal cropping systems in northern Tunisia. Recently, failures in controlling this weed have been reported by farmers. Field surveys and farmers interviews were conducted to highlight the potential causes of G. coronaria occurrence and the associated yield losses in wheat. Survey results revealed a significant correlation between farmers’ awareness of resistance occurrence and cultural practices, mainly sowing date and tillage, while G. coronaria abundance was related to the lack of herbicide rotation and the frequency of ALS-inhibiting herbicide use. High G. coronaria infestations (more than 20 plants/m2) caused a significant decrease in wheat grain yield, reaching almost 75% at a density of 100 plants/m2. Field and pot experiments showed low efficacies of ALS-inhibiting herbicides to control G. coronaria populations. The application of field rates of tribenuron-methyl and mesosulfuron + iodosulfuron failed to control the tested populations, and generally, G. coronaria dry weight increased compared to nontreated ones (potential hormetic effect). These findings were further investigated in two selected resistant populations through tribenuron dose–response experiments, plants from both populations exhibited high resistance factors (greater than 300), surviving up to 16-fold the recommended field dose. This is the first report for G. coronaria resistance occurrence to ALS-inhibiting herbicides in Tunisia and the second case worldwide.
Water Stress Enhances the Progression of Branch Dieback and Almond Decline under Field Conditions
Authors: Agustí-Brisach Carlos , Moldero David , Raya María del Carmen , Lorite Ignacio J. , Orgaz Francisco , Trapero Antonio
Published: September 2020

Branch dieback and tree decline have been described as a common complex disease worldwide in woody crops, with Botryosphaeriaceae and Diaporthaceae being considered the most frequent fungi associated with the disease symptoms. Their behaviour is still uncertain, since they are considered endophytes becoming pathogenic in weakened hosts when stress conditions, such as water deficiency occur. Therefore, the main goal of this study was to determine if water stress enhances general decline on weakened almond trees subjected to different irrigation treatments under natural field conditions. In parallel, the occurrence of fungal species associated with almond decline was also determined in relation to disease progression by fungal isolation, and morphological and molecular based-methods. The symptoms of branch dieback and general decline were observed over time, mainly in the experimental plots subjected to high water deficiency. Botryosphaeriaceae were the most consistently isolated fungi, and Botryosphaeria dothidea was the most frequent. Collophorina hispanica was the second most frequent species and Diaporthe and Cytospora species were isolated in a low frequency. Most of them were recovered from both asymptomatic and symptomatic trees, with their consistency of isolation increasing with the disease severity. This work reveals the need to elucidate the role of biotic and abiotic factors which increase the rate of infection of fungal trunk pathogens, in order to generate important knowledge on their life cycle.
Electrospun Hydrophobic Polyaniline/Silk Fibroin Electrochromic Nanofibers with Low Electrical Resistance
Authors: Chen Chun-Yu , Huang Szu Ying , Wan Hung-Yu , Chen Yi-Ting , Yu Sheng-Ka , Wu Hsuan-Chen , Yang Ta-I
Published: September 2020

Electronic textiles (E-textiles) have been an area of intense industrial and academic research for years due to their advanced applications. Thus, the goal of this study was to develop highly conductive silk fibroin electrochromic nanofibers for use in E-textiles. The silk nanofibers were prepared by an electrospinning technique, and the conductive polyaniline (PANI) was added to impart the electrical conductivity and electroactive property to the resultant electrospun silk composite nanofibers. The experimental results showed that tuning the electrospinning procedure could control the morphology of the composite nanofibers, thus altering their mechanical properties and surface wettability. Furthermore, the developed PANI/silk composite fibers possess electroactive and electrochromic properties, such as adjusting the applied voltage. The developed strategy demonstrated the feasibility of incorporating not only electrical functionality but also electroactivity into sustainable silk nanofibers using electrospinning technique.
Compression Molded Soy Protein Films with Exopolysaccharides Produced by Cider Lactic Acid Bacteria
Authors: Uranga Jone , Llamas Mª Goretti , Agirrezabala Ziortza , Dueñas María Teresa , Etxebeste Oier , Guerrero Pedro , de la Caba Koro
Published: September 2020

Two exopolysaccharide (EPS)-producing lactic acid bacteria (LAB) strains, Liquorilactobacillus (L.) sp CUPV281 and Liquorilactobacillus (L.) mali CUPV271, were isolated from Spanish apple must. Each of the strains produced a dextran, with different branching degrees, to be incorporated into soy protein isolate (SPI) film-forming formulations. Films were prepared by compression molding, a more rapid processing method than solution casting and, thus, with a greater potential for scaling-up production. Thermal analysis showed that SPI and EPS start the degradation process at temperatures above 190 °C, confirming that the compression temperature selected (120 °C) was well below the corresponding degradation temperatures. Resulting films were transparent and homogeneous, as shown by UV-Vis spectroscopy and SEM, indicating the good compatibility between SPI and EPS. Furthermore, FTIR analysis showed that the interactions between SPI and EPS were physical interactions, probably by hydrogen bonding among the polar groups of SPI and EPS. Regarding antifungal/fungistatic activity, LAB strains used in this study showed an inhibitory effect on germination of fungal spores.
Analysis of a Thermal Energy Storage Tank in a Large District Cooling System: A Case Study
Authors: Abd Majid Mohd Amin , Muhammad Masdi , Hampo Chima Cyril , Akmar Ainul Bt
Published: September 2020

This study’s primary goal is to evaluate the performance of a large thermal energy storage tank installed in a Gas District Cooling (GDC) plant. The performance parameters considered in this study include thermocline thickness (WTc), Cumulated Charge (Qcum), and Half Figure of Merit (½ FOM). The operation sensor data of a large Thermal Energy Storage (TES) tank was acquired for this analysis. The recorded temperature sensor from the 1st to 7th January and from 12th to 17th October 2019 was considered in this research. GraphPad prism computer software was deployed for analyses, and the temperature distribution data were analyzed to determine the four temperature parameters (hot water temperature (Th), cool water temperature (Tc), cool water depth (C), and slope gradient (S)) using a non-linear regression curve fitting technique and sigmoid Dose Responses function as integrated with the software. At the end of this research, the relationship between the growth of the determined performance parameter with charging hours was analyzed and presented. The research results proved the ability of GraphPad Prism software to assess the temperature distribution in the TES tank and also the corresponding effects on the overall Tank performance. The software offers better advantages in evaluating the performance parameter of the TES tank accurately.
Teachers’ Opinions towards Educational Robotics for Special Needs Students: An Exploratory Italian Study
Authors: Di Battista Silvia , Pivetti Monica , Moro Michele , Menegatti Emanuele
Published: September 2020

Research reveals that robotics can be a valuable tool for school students with special needs (SNs). However, to our knowledge, empirical studies on teachers’ attitudes towards educational robotics for SNs students have been very limited and, in general, do not account for the great variability in the existent difficulties of school-aged children. Our aim is to fill this research gap. This post-test empirical study assessed Italian pre-service and in-service learning support teachers’ attitudes towards the application of Educational Robotics—ER with their students with SNs at the end of a 12-h training course. The results generally showed that most teachers perceived ER as a powerful tool for children with numerous SNs, particularly for Attention Deficit Hyperactivity Disorder—ADHD, Autism Spectrum Disorder—ASD, and Dyspraxia. Looking at the differences depending on the school level, kindergarten teachers perceived that ER is mostly helpful for ASD, ADHD, Down Syndrome—DS as well as with psychological or emotional distress or the needs of foreign students. For primary school teachers, ER was mostly helpful with ADHD, Dyspraxia and ASD. For both junior secondary school teachers and high school teachers, ER was mostly helpful with ASD, Dyspraxia, and ADHD.
Changes and Predictions of Vertical Distributions of Global Light-Absorbing Aerosols Based on CALIPSO Observation
Authors: Song Zigeng , He Xianqiang , Bai Yan , Wang Difeng , Hao Zengzhou , Gong Fang , Zhu Qiankun
Published: September 2020

Knowledge of the vertical distribution of absorbing aerosols is crucial for radiative forcing assessment, and its quasi real-time prediction is one of the keys for the atmospheric correction of satellite remote sensing. In this study, we investigated the seasonal and interannual changes of the vertical distribution of global absorbing aerosols based on satellite measurement from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) and proposed a neural network (NN) model to predict the vertical distribution of global absorbing aerosols. Gaussian fitting was proposed to derive the maximum fitted particle number concentration (MFNC), altitude corresponding to MFNC (MFA), and standard deviation (MFASD) for vertical distribution of dust and smoke aerosols. Results showed that higher MFA values of dust and smoke aerosols mainly occurred over deserts and tropical savannas, respectively. For dust aerosol, the MFA is mainly observed at 0.5 to 6 km above deserts, and low MFNC values occur in boreal spring and winter while high values in summer and autumn. The MFA of smoke is systematically lower than that of dust, ranging from 0.5 to 3.5 km over tropical rainforest and grassland. Moreover, we found that the MFA of global dust and smoke had decreased by 2.7 m yr−1 (statistical significance p = 0.02) and 1.7 m yr−1 (p = 0.02) over 2007–2016, respectively. The MFNC of global dust has increased by 0.63 cm−3 yr−1 (p = 0.05), whereas that of smoke has decreased by 0.12 cm−3 yr−1 (p = 0.05). In addition, the determination coefficient (R2) of the established prediction models for vertical distributions of absorbing aerosols were larger than 0.76 with root mean square error (RMSE) less than 1.42 cm−3, which should be helpful for the radiative forcing evaluation and atmospheric correction of satellite remote sensing.
Mask R-CNN Refitting Strategy for Plant Counting and Sizing in UAV Imagery
Authors: Machefer Mélissande , Lemarchand François , Bonnefond Virginie , Hitchins Alasdair , Sidiropoulos Panagiotis
Published: September 2020

This work introduces a method that combines remote sensing and deep learning into a framework that is tailored for accurate, reliable and efficient counting and sizing of plants in aerial images. The investigated task focuses on two low-density crops, potato and lettuce. This double objective of counting and sizing is achieved through the detection and segmentation of individual plants by fine-tuning an existing deep learning architecture called Mask R-CNN. This paper includes a thorough discussion on the optimal parametrisation to adapt the Mask R-CNN architecture to this novel task. As we examine the correlation of the Mask R-CNN performance to the annotation volume and granularity (coarse or refined) of remotely sensed images of plants, we conclude that transfer learning can be effectively used to reduce the required amount of labelled data. Indeed, a previously trained Mask R-CNN on a low-density crop can improve performances after training on new crops. Once trained for a given crop, the Mask R-CNN solution is shown to outperform a manually-tuned computer vision algorithm. Model performances are assessed using intuitive metrics such as Mean Average Precision (mAP) from Intersection over Union (IoU) of the masks for individual plant segmentation and Multiple Object Tracking Accuracy (MOTA) for detection. The presented model reaches an mAP of 0.418 for potato plants and 0.660 for lettuces for the individual plant segmentation task. In detection, we obtain a MOTA of 0.781 for potato plants and 0.918 for lettuces.
Classification of Australian Waterbodies across a Wide Range of Optical Water Types
Authors: Botha Elizabeth J. , Anstee Janet M. , Sagar Stephen , Lehmann Eric , Medeiros Thais A. G.
Published: September 2020

Baseline determination and operational continental scale monitoring of water quality are required for reporting on marine and inland water progress to Sustainable Development Goals (SDG). This study aims to improve our knowledge of the optical complexity of Australian waters. A workflow was developed to cluster the modelled spectral response of a range of in situ bio-optical observations collected in Australian coastal and continental waters into distinct optical water types (OWTs). Following clustering and merging, most of the modelled spectra and modelled specific inherent optical properties (SIOP) sets were clustered in 11 OWTs, ranging from clear blue coastal waters to very turbid inland lakes. The resulting OWTs were used to classify Sentinel-2 MSI surface reflectance observations extracted over relatively permanent water bodies in three drainage regions in Eastern Australia. The satellite data classification demonstrated clear limnological and seasonal differences in water types within and between the drainage divisions congruent with general limnological, topographical, and climatological factors. Locations of unclassified observations can be used to inform where in situ bio-optical data acquisition may be targeted to capture a more comprehensive characterization of all Australian waters. This can contribute to global initiatives like the SDGs and increases the diversity of natural water in global databases.