bluuebunny/crossref_metadata_2025 huggingface dataset:
Haze Influencing Factors: A Data Envelopment Analysis Approach
Authors: Zhou Yi , Li Lianshui , Sun Ruiling , Gong Zaiwu , Bai Mingguo , Wei Guo
Published: March 2019

This paper investigates the meteorological factors and human activities that influence PM2.5 pollution by employing the data envelopment analysis (DEA) approach to a chance constrained stochastic optimization problem. This approach has the two advantages of admitting random input and output, and allowing the evaluation unit to exceed the front edge under the given probability constraint. Furthermore, by utilizing the meteorological observation data incorporated with the economic and social data for Jiangsu Province, the chance constrained stochastic DEA model was solved to explore the relationship between the meteorological elements and human activities and PM2.5 pollution. The results are summarized by the following: (1) Among all five primary indexes, social progress, energy use and transportation are the most significant for PM2.5 pollution. (2) Among our selected 14 secondary indexes, coal consumption, population density and civil car ownership account for a major portion of PM2.5 pollution. (3) Human activities are the main factor producing PM2.5 pollution. While some meteorological elements generate PM2.5 pollution, some act as influencing factors on the migration of PM2.5 pollution. These findings can provide a reference for the government to formulate appropriate policies to reduce PM2.5 emissions and for the communities to develop effective strategies to eliminate PM2.5 pollution.
The Toxic Effect of Herbicidal Ionic Liquids on Biogas-Producing Microbial Community
Authors: Czarny Jakub , Piotrowska-Cyplik Agnieszka , Lewicki Andrzej , Zgoła-Grześkowiak Agnieszka , Wolko Łukasz , Galant Natalia , Syguda Anna , Cyplik Paweł
Published: March 2019

The aim of the study was to evaluate the effect of herbicidal ionic liquids on the population changes of microorganisms used in a batch anaerobic digester. The influence of the following ionic liquids: benzalkonium (2,4-dichlorophenoxy)acetate (BA)(2,4-D), benzalkonium (4-chloro-2-methylphenoxy)acetate (BA)(MCPA), didecyldimethylammonium (2,4-dichlorophenoxy)acetate (DDA)(2,4-D), didecyldimethylammonium (4-chloro-2-methylphenoxy)acetate (DDA)(MCPA), as well as reference herbicides (4-chloro-2-methylphenoxy)acetic acid (MCPA) and (2,4-dichlorophenoxy)acetic acid (2,4-D) in the form of sodium salts on biogas production efficiency was investigated. The effective concentration (EC50) values were determined for all tested compounds. (MCPA)− was the most toxic, with an EC50 value of 38.6–41.2 mg/L. The EC50 for 2,4-D was 55.7–59.8 mg/L. The addition of the test substances resulted in changes of the population structure of the microbiota which formed the fermentation pulp. The research was based on 16S rDNA analysis with the use of the Next Generation Sequencing method and the MiSeq platform (Illumina, San Diego, CA, USA). There was a significant decrease in bacteria belonging to Firmicutes and Archaea belonging to Euryarchaeota. A significant decrease of the biodiversity of the methane fermentation microbiota was also established, which was expressed by the decrease of the operational taxonomic units (OTUs) and the value of Shannon’s entropy. In order to determine the functional potential of bacterial metapopulations based on the 16SrDNAprofile, the PICRUSt(Phylogenetic Investigation of Communities by Reconstruction of Unobserved States)tool was used, which allowed to determine the gene potency of microorganisms and their ability to biodegrade the herbicides. In the framework of the conducted analysis, no key genes related to the biodegradation of MCPA or 2,4-D were found, and the observed decrease of their content in the supernatant liquid was caused by their sorption on bacterial biomass.
Mothers’ Difficulties and Expectations for Intervention of Bullying among Young Children in South Korea
Authors: Lee Seung-ha , Ju Hyun-jung
Published: March 2019

This study investigated the difficulties of mothers in coping with the bullying of their children and their expectations concerning bullying intervention for young children in South Korea. Twenty mothers with young children were interviewed. Interviews were transcribed in Korean. Nvivo 12 software was used to analyze the data. Four themes emerged: “mothers’ coping strategies”, “problems of interventions”, “expectations of interventions”, and “developmentally appropriate interventions for young children”. Each theme was divided into categories and further into subcategories. Mothers used diverse strategies to intervene when their children were bullied and showed dissatisfaction with the current intervention system. Their expectations for interventions for young children were explained in terms of familial, school, and local/governmental levels. These results emphasized that intervention policies for bullying among young children should be urgently established, and intervention programs need to consider the developmental characteristics of young children.
A Novel Method of Missing Road Generation in City Blocks Based on Big Mobile Navigation Trajectory Data
Authors: Wu Hangbin , Xu Zeran , Wu Guangjun
Published: March 2019

With the rapid development of cities, the geographic information of urban blocks is also changing rapidly. However, traditional methods of updating road data cannot keep up with this development because they require a high level of professional expertise for operation and are very time-consuming. In this paper, we develop a novel method for extracting missing roadways by reconstructing the topology of the roads from big mobile navigation trajectory data. The three main steps include filtering of original navigation trajectory data, extracting the road centerline from navigation points, and establishing the topology of existing roads. First, data from pedestrians and drivers on existing roads were deleted from the raw data. Second, the centerlines of city block roads were extracted using the RSC (ring-stepping clustering) method proposed herein. Finally, the topologies of missing roads and the connections between missing and existing roads were built. A complex urban block with an area of 5.76 square kilometers was selected as the case study area. The validity of the proposed method was verified using a dataset consisting of five days of mobile navigation trajectory data. The experimental results showed that the average absolute error of the length of the generated centerlines was 1.84 m. Comparative analysis with other existing road extraction methods showed that the F-score performance of the proposed method was much better than previous methods.
The Effect of Green and Black Tea Polyphenols on BRCA2 Deficient Chinese Hamster Cells by Synthetic Lethality through PARP Inhibition
Authors: Alqahtani Shaherah , Welton Kelly , Gius Jeffrey P. , Elmegerhi Suad , Kato Takamitsu A.
Published: March 2019

Tea polyphenols are known antioxidants presenting health benefits due to their observed cellular activities. In this study, two tea polyphenols, epigallocatechin gallate, which is common in green tea, and theaflavin, which is common in black tea, were investigated for their PARP inhibitory activity and selective cytotoxicity to BRCA2 mutated cells. The observed cytotoxicity of these polyphenols to BRCA2 deficient cells is believed to be a result of PARP inhibition induced synthetic lethality. Chinese hamster V79 cells and their BRCA2 deficient mutant V-C8, and V-C8 with gene complemented cells were tested against epigallocatechin gallate and theaflavin. In addition, Chinese hamster ovary (CHO) wild-type cells and rad51D mutant 51D1 cells were used to further investigate the synthetic lethality of these molecules. The suspected PARP inhibitory activity of epigallocatechin and theaflavin was confirmed through in vitro and in vivo experiments. Epigallocatechin gallate showed a two-fold increase of cytotoxicity to V-C8 cells compared to V79 and gene complimented cells. Compared to CHO wild type cells, 51D1 cells also showed elevated cytotoxicity following treatment with epigallocatechin gallate. Theaflavin, however, showed a similar increase of cytotoxicity to VC8 compared to V79 and gene corrected cells, but did not show elevation of cytotoxicity towards rad51D mutant cells compared to CHO cells. Elevation of sister chromatid exchange formation was observed in both tea polyphenol treatments. Polyphenol treatment induced more micronuclei formation in BRCA2 deficient cells and rad51D deficient cells when compared against the respective wild type cells. In conclusion, tea polyphenols, epigallocatechin gallate, and theaflavin may present selective cytotoxicity to BRCA2 deficient cells through synthetic lethality induced by PARP inhibition.
TM6SF2 and MBOAT7 Gene Variants in Liver Fibrosis and Cirrhosis
Authors: Basyte-Bacevice Viktorija , Skieceviciene Jurgita , Valantiene Irena , Sumskiene Jolanta , Petrenkiene Vitalija , Kondrackiene Jurate , Petrauskas Dalius , Lammert Frank , Kupcinskas Juozas
Published: March 2019

Previous large-scale genetic studies identified single nucleotide polymorphisms (SNPs) of the TM6SF2 and MBOAT7 genes as risk factors for alcoholic liver cirrhosis and non-alcoholic fatty liver disease. In this study, we tried to evaluate the association between TM6SF2 variant rs58542926 and MBOAT7 variant rs641738 and the risk of hepatic fibrosis or liver cirrhosis of different etiology. In parallel, we also aimed to evaluate whether these two SNPs modify the effects of the PNPLA3 rs738409 risk variant for the development of hepatic fibrosis and liver cirrhosis. The study was conducted at the Department of Gastroenterology, Lithuanian University of Health Sciences Hospital, and included 334 patients with liver cirrhosis, 128 patients with liver fibrosis, and 550 controls. SNPs were genotyped by quantitative PCR, using TaqMan allelic discrimination assays. Overall, TM6SF2 rs58542926 as well as MBOAT7 rs641738 were not linked to hepatic fibrosis, alcohol or hepatitis C virus induced liver cirrhosis in an Eastern European population. These genetic variations also did not mediate the effect of PNPLA3 rs738409 SNP for liver developing liver fibrosis or liver cirrhosis.
Obatoclax, a BH3 Mimetic, Enhances Cisplatin-Induced Apoptosis and Decreases the Clonogenicity of Muscle Invasive Bladder Cancer Cells via Mechanisms That Involve the Inhibition of Pro-Survival Molecules as Well as Cell Cycle Regulators
Authors: Steele Thomas M. , Talbott George C. , Sam Anhao , Tepper Clifford G. , Ghosh Paramita M. , Vinall Ruth L.
Published: March 2019

Several studies by our group and others have determined that expression levels of Bcl-2 and/or Bcl-xL, pro-survival molecules which are associated with chemoresistance, are elevated in patients with muscle invasive bladder cancer (MI-BC). The goal of this study was to determine whether combining Obatoclax, a BH3 mimetic which inhibits pro-survival Bcl-2 family members, can improve responses to cisplatin chemotherapy, the standard of care treatment for MI-BC. Three MI-BC cell lines (T24, TCCSuP, 5637) were treated with Obatoclax alone or in combination with cisplatin and/or pre-miR-34a, a molecule which we have previously shown to inhibit MI-BC cell proliferation via decreasing Cdk6 expression. Proliferation, clonogenic, and apoptosis assays confirmed that Obatoclax can decrease cell proliferation and promote apoptosis in a dose-dependent manner. Combination treatment experiments identified Obatoclax + cisplatin as the most effective treatment. Immunoprecipitation and Western analyses indicate that, in addition to being able to inhibit Bcl-2 and Bcl-xL, Obatoclax can also decrease cyclin D1 and Cdk4/6 expression levels. This has not previously been reported. The combined data demonstrate that Obatoclax can inhibit cell proliferation, promote apoptosis, and significantly enhance the effectiveness of cisplatin in MI-BC cells via mechanisms that likely involve the inhibition of both pro-survival molecules and cell cycle regulators.
Zebrafish Models of Neurodevelopmental Disorders: Limitations and Benefits of Current Tools and Techniques
Authors: Vaz Raquel , Hofmeister Wolfgang , Lindstrand Anna
Published: March 2019

For the past few years there has been an exponential increase in the use of animal models to confirm the pathogenicity of candidate disease-causing genetic variants found in patients. One such animal model is the zebrafish. Despite being a non-mammalian animal, the zebrafish model has proven its potential in recapitulating the phenotypes of many different human genetic disorders. This review will focus on recent advances in the modeling of neurodevelopmental disorders in zebrafish, covering aspects from early brain development to techniques used for modulating gene expression, as well as how to best characterize the resulting phenotypes. We also review other existing models of neurodevelopmental disorders, and the current efforts in developing and testing compounds with potential therapeutic value.
Hybrid cis-stilbene Molecules: Novel Anticancer Agents
Authors: Piekuś-Słomka Natalia , Mikstacka Renata , Ronowicz Joanna , Sobiak Stanisław
Published: March 2019

The growing interest in anticancer hybrids in the last few years has resulted in a great number of reports on hybrid design, synthesis and bioevaluation. Many novel multi-target-directed drug candidates were synthesized, and their biological activities were evaluated. For the design of anticancer hybrid compounds, the molecules of stilbenes, aromatic quinones, and heterocycles (benzimidazole, imidazole, pyrimidine, pyridine, pyrazole, quinoline, quinazoline) were applied. A distinct group of hybrids comprises the molecules built with natural compounds: Resveratrol, curcumin, coumarin, and oleanolic acid. In this review, we present the studies on bioactive hybrid molecules of a well-known tubulin polymerization inhibitor, combretastatin A-4 and its analogs with other pharmacologically active entities. The mechanism of anticancer activity of selected hybrids is discussed considering the structure-activity relationship.
Effectiveness of an Attachment-Informed Working Alliance in Interdisciplinary Pain Therapy
Authors: Pfeifer Ann-Christin , Meredith Pamela , Schröder-Pfeifer Paul , Gomez Penedo Juan Martin , Ehrenthal Johannes C. , Schroeter Corinna , Neubauer Eva , Schiltenwolf Marcus
Published: March 2019

Attachment theory provides a useful framework for understanding individual differences in pain patients, especially with insecure attachment shown to be more prevalent in chronic pain patients compared to the general population. Nevertheless, there is little evidence of attachment-informed treatment approaches for this population. The present study compares outcomes from two different attachment-informed treatment modalities for clinicians, with outcomes from treatment as usual (TAU). In both intervention groups (IG1 and IG2), clinicians received bi-monthly training sessions on attachment. Additionally, clinicians in IG1 had access to the attachment diagnostics of their patients. All treatments lasted for four weeks and included a 6-month follow up. A total of 374 chronic pain patients were recruited to participate in this study (TAU = 159/IG1 = 163/IG2 = 52). Analyses were carried out using multilevel modeling with pain intensity as the outcome variable. Additionally, working alliance was tested as a mediator of treatment efficacy. The study was registered under the trial number DRKS00008715 on the German Clinical Trials Register (DRKS). Findings show that while IG2 was efficient in enhancing treatment outcomes, IG1 did not outperform TAU. In IG2, working alliance was a mediator of outcome. Results of the present study indicate that attachment-informed treatment of chronic pain can enhance existing interdisciplinary pain therapies; however, caveats are discussed.
Optimal Machining Strategy Selection in Ball-End Milling of Hardened Steels for Injection Molds
Authors: Buj-Corral Irene , Ortiz-Marzo Jose-Antonio , Costa-Herrero Lluís , Vivancos-Calvet Joan , Luis-Pérez Carmelo
Published: March 2019

In the present study, the groups of cutting conditions that minimize surface roughness and its variability are determined, in ball-end milling operations. Design of experiments is used to define experimental tests performed. Semi-cylindrical specimens are employed in order to study surfaces with different slopes. Roughness was measured at different slopes, corresponding to inclination angles of 15°, 45°, 75°, 90°, 105°, 135° and 165° for both climb and conventional milling. By means of regression analysis, second order models are obtained for average roughness Ra and total height of profile Rt for both climb and conventional milling. Considered variables were axial depth of cut ap, radial depth of cut ae, feed per tooth fz, cutting speed vc, and inclination angle Ang. The parameter ae was the most significant parameter for both Ra and Rt in regression models. Artificial neural networks (ANN) are used to obtain models for both Ra and Rt as a function of the same variables. ANN models provided high correlation values. Finally, the optimal machining strategy is selected from the experimental results of both average and standard deviation of roughness. As a general trend, climb milling is recommended in descendant trajectories and conventional milling is recommended in ascendant trajectories. This study will allow the selection of appropriate cutting conditions and machining strategies in the ball-end milling process.
Effects of Finish Line Design and Fatigue Cyclic Loading on Phase Transformation of Zirconia Dental Ceramics: A Qualitative Micro-Raman Spectroscopic Analysis
Authors: Sorrentino Roberto , Navarra Chiara Ottavia , Di Lenarda Roberto , Breschi Lorenzo , Zarone Fernando , Cadenaro Milena , Spagnuolo Gianrico
Published: March 2019

Objectives: Stresses produced during the fabrication of copings and by chewing activity can induce a tetragonal-to-monoclinic (t–m) transformation of zirconia. As a consequence, in the m-phase, the material is not able to hinder possible cracks by the favorable mechanism known as “transformation toughening”. This study aimed at evaluating if different marginal preparations of zirconia copings can cause a premature phase transformation immediately after manufacturing milling and after chewing simulation. Methods: Ninety copings using three commercial zirconia ceramics (Nobel Procera Zirconia, Nobel Biocare Management AG; Lava Classic, 3M ESPE; Lava Plus, 3M ESPE) were prepared with deep-chamfer, slight-chamfer, or feather-edge finish lines (n = 10). Specimens were tested in a chewing simulator (CS-4.4, SD Mechatronik) under cyclic occlusal loads simulating one year of clinical service. Raman spectra were acquired and analyzed for each specimen along the finish lines and at the top of each coping before and after chewing simulation, respectively. Results: Raman analysis did not show any t–m transformation both before and after chewing simulation, as the typical monoclinic bands at 181 cm−1 and 192 cm−1 were not detected in any of the tested specimens. Conclusions: After a one-year simulation of chewing activity, irrespective of preparation geometry, zirconia copings did not show any sign of t–m transformation, either in the load application areas or at the margins. Consequently, manufacturing milling even in thin thickness did not cause any structural modification of zirconia ceramics “as received by manufacturers” both before and after chewing simulation.
Role of Graphic Integer Sequence in the Determination of Graph Integrity
Authors: Sensarma Debajit , Sen Sarma Samar
Published: March 2019

Networks have an important role in our daily lives. The effectiveness of the network decreases with the breaking down of some vertices or links. Therefore, a less vulnerable communication network is required for greater stability. Vulnerability is the measure of resistance of the network after failure of communication links. In this article, a graph has been taken for modeling a network and integrity as a measure of vulnerability. The approach is to estimate the integrity or upper bound of integrity of at least one connected graph or network constructed from the given graphic integer sequence. Experiments have been done with random graphs, complex networks and also a comparison between two parameters, namely the vertex connectivity and graph integrity as a measure of the network vulnerability have been carried out by removing vertices randomly from various complex networks. A comparison with the existing method shows that the algorithm proposed in this article provides a much better integrity measurement.
Dynamical Study of Fokker-Planck Equations by Using Optimal Homotopy Asymptotic Method
Authors: Younas H. M. , Mustahsan Muhammad , Manzoor Tareq , Salamat Nadeem , Iqbal S.
Published: March 2019

In this article, Optimal Homotopy Asymptotic Method (OHAM) is used to approximate results of time-fractional order Fokker-Planck equations. In this work, 3rd order results obtained through OHAM are compared with the exact solutions. It was observed that results from OHAM have better convergence rate for time-fractional order Fokker-Planck equations. The solutions are plotted and the relative errors are tabulated.
‘Messy’ Processing of χ-conotoxin MrIA Generates Homologues with Reduced hNET Potency
Authors: Ziegman Rebekah , Brust Andreas , Jha Prerna , Cardoso Fernanda C. , Lewis Richard J. , Alewood Paul F.
Published: March 2019

Integrated venomics techniques have shown that variable processing of conotoxins from Conus marmoreus resulted in a dramatic expansion in the number of expressed conotoxins. One conotoxin from C. marmoreus, the χ-conotoxin MrIA, is a selective inhibitor of human norepinephrine transporters (hNET) and therefore a drug candidate for attenuating chronic neuropathic pain. It has been found that “messy” processing of the MrIA transcripts results in the expression of MrIA analogs with different truncations of the pro-peptide that contains portions of the MrIA molecule. The aim of this study was to investigate if variable processing of the expressed peptides results in modulation of the existing hNET pharmacology or creates new pharmacologies. To this end, a number of MrIA analogs found in C. marmoreus venom were synthesized and evaluated for their activity at hNET receptors. While several of the analogs exhibited norepinephrine transporter inhibitory activity comparable to that of MrIA, none significantly improved on the potency of conotoxin MrIA, and those analogs with disrupted pharmacophores produced greatly reduced NET inhibition, confirming previous structure-activity relationships seen on χ-class conopeptides. Additionally, analogs were screened for new activities on ion channels using calcium influx assays, although no major new pharmacology was revealed.
An Atypical Case of Idiopathic Pulmonary Fibrosis in a Patient from Africa
Authors: Pesonen Ida , Ortiz Cristian , Ferrara Giovanni
Published: March 2019

A 39 years old African man presented with fatigue, loss of weight and night sweats; radiology showed a possible usual interstitial pneumonia pattern. The patient missed follow-up visits, and presented again after 3 years with productive cough and general illness. Pulmonary function tests showed a decline of FVC compared to a previous investigation. The CT scans showed progression of the interstitial lung disease, and a multidisciplinary conference recommended to proceed with a surgical lung biopsy. Histopathology showed an atypical pattern, with bronchiolar metaplasia. A new multidisciplinary conference made a diagnosis of IPF, and the patient was treated with antifibrotic drugs with a good effect, reaching stability of lung function. This case report highlights the need to improve knowledge and to better characterize rare pulmonary diseases, and especially IPF, among African patients.
Evaluation of the Second Follicular Wave Phenomenon in Natural Cycle Assisted Reproduction: A Key Option for Poor Responders through Luteal Phase Oocyte Retrieval
Authors: Sfakianoudis Konstantinos , Simopoulou Mara , Maziotis Evangelos , Giannelou Polina , Tsioulou Petroula , Rapani Anna , Pantou Agni , Petroutsou Konstantina , Angeli Irene , Deligeoroglou Efthymios , Koutsilieris Michael , Pantos Konstantinos
Published: March 2019

Background: Emergence of Luteal Phase Oocyte Retrieval (LuPOR) may revolutionize the practice regarding the time-sensitive nature of poor responders ascertaining a higher number of oocytes, in a shorter amount of time. This may be especially important in view of employing the approach of natural cycles for Poor Responders. We suggest the acronym LuPOR describing the clinical practice of luteal phase oocyte retrieval. The aim of the study is to offer insight regarding the identity of LuPOR, and highlight how this practice may improve management of the special subgroup of poor responders. Materials and Methods: The present retrospective observational clinical study includes the collection and statistical analysis of data from 136 poor responders who underwent follicular oocyte retrieval (FoPOR) and subsequent LuPOR in natural cycles, during their In Vitro Fertilization (IVF) treatment, from the time period of 2015 to 2018. All 136 participants were diagnosed with poor ovarian reserve (POR) according to Bologna criteria. The 272 cycles were categorized as follows: 136 natural cycles with only FoPORs (Control Group) and 136 natural cycles including both FoPORs and LuPORs. Results: Our primary results indicate no statistically significant differences with regards to the mean number of oocytes, the maturation status, and fertilization rate between FoPOR and LuPOR in natural cycles. Secondarily, we demonstrate a statistically significant higher yield of oocytes (2.50 ± 0.78 vs. 1.25 ± 0.53), better oocyte maturity status (1.93 ± 0.69 vs. 0.95 ± 0.59) and higher fertilization rate (1.31 ± 0.87 vs. 0.61 ± 0.60) in natural cycles including both FoPOR and LuPOR, when compared to cycles including only FoPOR. Conclusion: Our study may contribute towards the establishment of an efficient poor responders’ management through the natural cycle approach, paving a novel clinical practice and ascertaining the opportunity to employ oocytes and embryos originating from a luteal phase follicular wave.
Spatial Frequency Response of Epoxy-Based Volume Holographic Recording Material
Authors: Sabel Tina
Published: March 2019

Holographic volume phase gratings are recorded in an epoxy-based, free-surface, volume holographic recording material. Light-induced gratings are formed by photo-triggered mass migration caused by component diffusion. The material resolution enables a wide range of pattern spacings, to record both transmission and reflection holograms with many different spatial frequencies. An optimum spatial frequency response is found between the low spatial frequency roll-off and the high spatial frequency cut-off. The influence of the energy density of exposure on the spatial frequency response is investigated. Secondary volume holographic gratings (parasitic gratings) are observed in the high frequency range. The possibility of distinguishing the regular grating from the secondary grating is discussed in the form of probe wavelength detuning.
Molecular Simulation of the Separation of Isoleucine Enantiomers by β-Cyclodextrin
Authors: Alvira Elena
Published: March 2019

Molecular mechanics and dynamics simulations were carried out to study the capacity of isoleucine enantiomers to form inclusion complexes with β–cyclodextrin, and to be discriminated by this chiral compound, in vacuo and with different solvents. Solvents were characterized not only by the value of dielectric constant ε in the Coulombic interaction energy, but also by the neutral and zwitterion configurations of isoleucine. Whereas the discrimination between the enantiomers for ε ≤ 2 is due to the electrostatic contribution, these differences are mainly due to the Lennard-Jones potential for ε > 2. The most enantioselective regions are located near the cavity walls, independently of the solvent. D-Ile is more stable than L-Ile in broader regions in vacuo, but L-Ile presents more stable locations with water. Isoleucine can form inclusion complexes with β–cyclodextrin in vacuo and with different solvents. Two probable configurations are deduced from the molecular dynamics simulation, in which the guest is always inside the cavity and with the carboxylic end of the amino acid oriented towards either rim of β–CD. In the simulation, the enantiomers preferentially occupy regions with greater chiral discrimination. The first eluted enantiomer in vacuo and with different solvents is L-Ile, independently of the solvent polarity.
Phenolic Compounds from Humulus lupulus as Natural Antimicrobial Products: New Weapons in the Fight against Methicillin Resistant Staphylococcus aureus, Leishmania mexicana and Trypanosoma brucei Strains
Authors: Bocquet Laetitia , Sahpaz Sevser , Bonneau Natacha , Beaufay Claire , Mahieux Séverine , Samaillie Jennifer , Roumy Vincent , Jacquin Justine , Bordage Simon , Hennebelle Thierry , Chai Feng , Quetin-Leclercq Joëlle , Neut Christel , Rivière Céline
Published: March 2019

New anti-infective agents are urgently needed to fight microbial resistance. Methicillin-resistant Staphylococcus aureus (MRSA) strains are particularly responsible for complicated pathologies that are difficult to treat due to their virulence and the formation of persistent biofilms forming a complex protecting shell. Parasitic infections caused by Trypanosoma brucei and Leishmania mexicana are also of global concern, because of the mortality due to the low number of safe and effective treatments. Female inflorescences of hop produce specialized metabolites known for their antimicrobial effects but underexploited to fight against drug-resistant microorganisms. In this study, we assessed the antimicrobial potential of phenolic compounds against MRSA clinical isolates, T. brucei and L. mexicana. By fractionation process, we purified the major prenylated chalcones and acylphloroglucinols, which were quantified by UHPLC-UV in different plant parts, showing their higher content in the active flowers extract. Their potent antibacterial action (MIC < 1 µg/mL for the most active compound) was demonstrated against MRSA strains, through kill curves, post-antibiotic effects, anti-biofilm assays and synergy studies with antibiotics. An antiparasitic activity was also shown for some purified compounds, particularly on T. brucei (IC50 < 1 to 11 µg/mL). Their cytotoxic activity was assessed both on cancer and non-cancer human cell lines.
Probing the Growth Improvement of Large-Size High Quality Monolayer MoS2 by APCVD
Authors: Han Tao , Liu Hongxia , Wang Shulong , Chen Shupeng , Li Wei , Yang Xiaoli
Published: March 2019

Two-dimensional transition metal dichalcogenides (TMDs) have attracted attention from researchers in recent years. Monolayer molybdenum disulfide (MoS2) is the direct band gap two-dimensional crystal with excellent physical and electrical properties. Monolayer MoS2 can effectively compensate for the lack of band gap of graphene in the field of nano-electronic devices, which is widely used in catalysis, transistors, optoelectronic devices, and integrated circuits. Therefore, it is critical to obtain high-quality, large size monolayer MoS2. The large-area uniform high-quality monolayer MoS2 is successfully grown on an SiO2/Si substrate with oxygen plasma treatment and graphene quantum dot solution by atmospheric pressure chemical vapor deposition (APCVD) in this paper. In addition, the effects of substrate processing conditions, such as oxygen plasma treatment time, power, and dosage of graphene quantum dot solution on growth quality and the area of the monolayer of MoS2, are studied systematically, which would contribute to the preparation of large-area high-quality monolayer MoS2. Analysis and characterization of monolayer MoS2 are carried out by Optical Microscopy, AFM, XPS, Raman, and Photoluminescence Spectroscopy. The results show that monolayer MoS2 is a large-area, uniform, and triangular with a side length of 200 μm, and it is very effective to treat the SiO2/Si substrate by oxygen plasma and graphene quantum dot solution, which would help the fabrication of optoelectronic devices.
How Much Can Product Reformulation Improve Diet Quality in Households with Children and Adolescents?
Authors: Muth Mary K. , Karns Shawn A. , Mancino Lisa , Todd Jessica E.
Published: March 2019

Improvements in the healthfulness of packaged foods and beverages through reformulation could help reduce the prevalence of obesity among children and adolescents through improved diet quality. This study assessed changes in calories and four nutrients (saturated fat, total sugars, sodium, and dietary fiber) from 2012 through 2014 for packaged products frequently consumed by children and adolescents, simulated effects of potential improvements in 12 frequently consumed product categories based on actual purchasing patterns, and compared differences in prices of healthier versus less healthy products. Analysis of trends showed limited evidence that healthfulness of foods improved over the years examined. Simulation results showed minimal changes for calories and sodium, but daily intake of saturated fat could decrease by 4%, sugar consumption could decrease by 5%, and dietary fiber consumption could increase by 11% if products were reformulated to meet an existing healthfulness standard. Using a higher standard, caloric intake could decline by 4%, saturated fat by 6%, sugar by 9%, and sodium by 4%, and dietary fiber could increase by 14%. Healthier versions of most products ranged from an average of 3 to 12 cents more per serving, but not all healthier versions were more costly. Overall, reformulation is a potential avenue for improving diet quality in households with children and adolescents, but price could be a barrier to purchasing healthier products for some households.
Dietary Patterns Associated with Sebum Content, Skin Hydration and pH, and Their Sex-Dependent Differences in Healthy Korean Adults
Authors: Lim Sunhee , Shin Jihye , Cho Yunhi , Kim Kun-Pyo
Published: March 2019

Sebum content, skin hydration and acidic skin pH are major factors in maintaining skin health. Various nutrients are reported to influence skin health, but the effect of dietary patterns (DPs) on skin health is unclear. In this study, we considered the DPs associated with these three skin health parameters in 84 healthy adults aged 19–37 years. Dietary intake was assessed using a food frequency questionnaire (FFQ) and skin health parameters were determined on the forehead of each subject. Among the four DPs extracted from the FFQ, DP2, characterized by a high intake of cereals, potatoes and starch, saccharides and fish and shellfish, was negatively associated with skin hydration. DP3, characterized by a high intake of potatoes and starch, seeds and nuts, fruits and eggs, was positively associated with acidic skin pH only before adjusting for potential confounders. On the other hand, DP4, characterized by a low intake of beans, and a high intake of meats, dairy products and beverages and alcohol, was negatively associated with acidic skin pH and positively associated with sebum content. The data stratified by sex revealed a negative association between skin hydration and DP2 in males and a negative association between sebum content and DP3 and a positive association between sebum content and DP4 in females. In conclusion, we demonstrated that specific DPs were associated with sebum content, skin hydration and pH in healthy Korean adults and that those associations were affected by sex.
Relative Validity of the Eat and Track (EaT) Smartphone App for Collection of Dietary Intake Data in 18-to-30-Year Olds
Authors: Wellard-Cole Lyndal , Chen Juliana , Davies Alyse , Wong Adele , Huynh Sharon , Rangan Anna , Allman-Farinelli Margaret
Published: March 2019

(1) Background: Smartphone dietary assessment apps can be acceptable and valid data collection methods but have predominantly been validated in highly educated women, and none specifically measured eating-out habits in young adults. (2) Methods: Participants recorded their food and beverage consumption for three days using the Eat and Track (EaT) app, and intakes were compared with three dietitian-administered 24-h recall interviews matched to the same days as the reference method. Wilcoxon signed-rank or t-tests, correlation coefficients and Bland–Altman plots assessed agreement between the two methods for energy and percentage energy from nutrients (%E). (3) Results: One hundred and eighty nine of 216 participants (54% females, 60% resided in higher socioeconomic areas, 49% university-educated) completed the study. There were significant differences in median energy intake between methods (p < 0.001), but the EaT app had acceptable agreement for most nutrient densities at the group level. Correlation coefficients ranged from r = 0.56 (%E fat) to 0.82 (%E sugars), and between 85% and 94% of participants were cross-classified into the same or adjacent quartiles. Bland–Altman plots showed wide limits of agreement but no obvious biases for nutrient densities except carbohydrate in males. (4) Conclusions: The EaT app can be used to assess group nutrient densities in a general population of 18-to-30-year olds.
Consumption Patterns of Grain-Based Foods among Children and Adolescents in Canada: Evidence from Canadian Community Health Survey-Nutrition 2015
Authors: Hosseini Syed Hamzeh , Papanikolaou Yanni , Isalm Naorin , Rashmi Patil , Shamloo Arash , Vatanparast Hassan
Published: March 2019

The current analyses used data from the Canadian Community Health Survey-Nutrition 2015 to investigate grain-based food (GBF) dietary patterns of consumptions among 6,400,000 Canadian children and adolescents 2 to 18 years old. Nutrient intakes, socioeconomic differences, body mass index (BMI) z-scores, and intakes of several food groups were examined across the identified grain patterns of consumption. We employed k-mean cluster analysis to identify the consumption patterns of grain products. Based on the contributions of 21 grain food groups to the total energy intake of each individual, seven GBF consumption patterns were identified including other bread; salty snacks; pasta; rice; cakes and cookies; white bread; and mixed grains. Individuals having less than one serving of grain products were also separately categorized as no-grain consumers. Mean energy intake (kcal/day) was lowest for the “no-grain” consumers and greatest in children/adolescents consuming a “salty snacks” pattern when all GBF patterns were compared. Children and adolescents with “no-grain” and “rice” GBF consumption patterns had significantly lower intakes of several nutrients including dietary fiber, folate, magnesium, calcium, iron, zinc, thiamin, niacin, and riboflavin. No associations were observed with any of the identified GBF patterns and BMI z-scores. In addition, the socioeconomic status (SES) indicators such as household incomes and immigration status of participants were shown to be significantly different across the identified clusters.
Theoretical Food and Nutrient Composition of Whole-Food Plant-Based and Vegan Diets Compared to Current Dietary Recommendations
Authors: Karlsen Micaela C. , Rogers Gail , Miki Akari , Lichtenstein Alice H. , Folta Sara C. , Economos Christina D. , Jacques Paul F. , Livingston Kara A. , McKeown Nicola M.
Published: March 2019

Public interest in popular diets is increasing, in particular whole-food plant-based (WFPB) and vegan diets. Whether these diets, as theoretically implemented, meet current food-based and nutrient-based recommendations has not been evaluated in detail. Self-identified WFPB and vegan diet followers in the Adhering to Dietary Approaches for Personal Taste (ADAPT) Feasibility Survey reported their most frequently used sources of information on nutrition and cooking. Thirty representative days of meal plans were created for each diet. Weighted mean food group and nutrient levels were calculated using the Nutrition Data System for Research (NDSR) and data were compared to DRIs and/or USDA Dietary Guidelines/MyPlate meal plan recommendations. The calculated HEI-2015 scores were 88 out of 100 for both WFPB and vegan meal plans. Because of similar nutrient composition, only WFPB results are presented. In comparison to MyPlate, WFPB meal plans provide more total vegetables (180%), green leafy vegetables (238%), legumes (460%), whole fruit (100%), whole grains (132%), and less refined grains (−74%). Fiber level exceeds the adequate intakes (AI) across all age groups. WFPB meal plans failed to meet the Recommended Dietary Allowances (RDA)s for vitamin B12 and D without supplementation, as well as the RDA for calcium for women aged 51–70. Individuals who adhere to WFBP meal plans would have higher overall dietary quality as defined by the HEI-2015 score as compared to typical US intakes with the exceptions of calcium for older women and vitamins B12 and D without supplementation. Future research should compare actual self-reported dietary intakes to theoretical targets.
Differences and Similarities between Front-of-Pack Nutrition Labels in Europe: A Comparison of Functional and Visual Aspects
Authors: van der Bend Daphne L. M. , Lissner Lauren
Published: March 2019

Many different front-of-pack (FOP) nutrition labels have been introduced worldwide. To continue the debate on the most effective FOP labels for increased consumer health, full comprehension of their visual and functional features is relevant. This paper compares and provides an overview of all FOP labels currently in practice or in preparation in Europe, by means of the visually oriented Funnel Model. The Funnel Models were completed in collaboration with the respective FOP labelling initiatives. In total, six positive FOP labels, two mixed FOP labels and one negative FOP label were compared. There are multiple similarities and differences between the FOP labels, with each FOP label being characterised by a unique set of criteria and methodological approach. This Funnel Model comparison provides the knowledge to ultimately find more common ground for all stakeholders involved in the FOP labelling debate. Importantly, implementation and evaluation activities carried out by FOP labelling organisations are crucial success factors for FOP labels in practice. We conclude that more attention should be paid to methodological differences between FOP labels and recommend that the current comparison is expanded to a global level and periodically updated, as the variety of FOP labels in the global marketplace is changing constantly.
Interaction of Surface Energy Components between Solid and Liquid on Wettability, and Its Application to Textile Anti-Wetting Finish
Authors: Song Kwanwoo , Lee Jinwook , Choi Seong-O , Kim Jooyoun
Published: March 2019

With various options of anti-wetting finish methods, this study intends to provide basic information that can be applied in selecting a relevant anti-wetting chemical to grant protection from spreading of liquids with different surface energy profiles. With such an aim, the anti-wetting effectiveness of fluorinated coating and silane coating was investigated for liquids having different surface energy components, water (WA), methylene iodide (MI) and formamide (FA). The wetting thermodynamics was experimentally investigated by analyzing dispersive and polar component surface energies of solids and liquids. The role of surface roughness in wettability was examined for fibrous nonwoven substrates that have varied surface roughness. The presence of roughness enhanced the anti-wetting performance of the anti-wetting treated surfaces. While the effectiveness of different anti-wetting treatments was varied depending on the liquid polarities, the distinction of different treatments was less apparent for the roughened fibrous surfaces than the film surfaces. This study provides experimental validation of wetting thermodynamics and the practical interpretation of anti-wetting finishing.
A Novel Polymethyl Methacrylate Derivative Grafted with Cationic Iridium(III) Complex Units: Synthesis and Application in White Light-Emitting Diodes
Authors: Tang Huaijun , Dong Xueyan , Chen Mingxian , Chen Qiuhong , Ren Mengran , Wang Kaimin , Zhou Qiang , Wang Zhengliang
Published: March 2019

A novel orange-yellow-emitting polymethyl methacrylate derivative grafted with cationic iridium(III) complex units was synthesized and used as down-conversion luminescent materials in light-emitting diodes (LEDs). The polymer had a thermal decomposition temperature (Td) of 275 °C. With the temperature increasing from 20 to 100 °C, its photoluminescent intensity decreased to 76.8% with thermal quenching activation energy (Ea) of 0.2775 eV. A series of LEDs was fabricated by 460 nm blue GaN chips and the polymer blended in silicone at different concentrations. At 4.0 wt %, a cold white LED was obtained, the correlated color temperature (CCT) was 10,050 K, color rendering index (CRI) was 71.2, luminous efficiency (ηL) was 5.3 lm·w−1, and Commission Internationale de L’Eclairage (CIE) chromaticity coordinates were (0.30, 0.24). At 5.0 wt.%, the LED emitted neutral white light, its CCT was 4938 K, CRI was 75, ηL was 13.8 lm·w−1, and the CIE value was (0.34, 0.27). At 5.5 wt %, 6.0 wt %, 7.0 wt %, and 8.0 wt %, the LEDs all emitted warm white light; their CCTs were 3446, 3093, 2557, and 2337 K, respectively; their CRIs were 73.6, 71.8, 63.8, and 59.0, respectively; their ηL were 18.1, 16.3, 14.8, and 13.7 lm·w−1, respectively; and their CIE values were (0.36, 0.30), (0.40, 0.35), (0.45, 0.38), and (0.50, 0.42), respectively. At 9.0 wt %, the blue light of GaN chip was completely absorbed by the polymer and only the orange-yellow light of the polymer emitted. The results suggested the polymer was a promising orange-yellow-emitting phosphor candidate for white LEDs, especially for warm white LEDs.
Abolition Theology? Or, the Abolition of Theology? Towards a Negative Theology of Practice
Authors: Daniels Brandy
Published: March 2019

On February 8, 1971, Michel Foucault announced the formation of Le Groupe d’information sur les prisons (the Prisons Information Group [GIP]), a group of activist intellectuals who worked to amplify the voices of those with firsthand knowledge of the prison—reflected in their motto, “Speech to the detainees!” In highlighting and circulating subjugated knowledges from within prisons, the GIP not only pursued political and material interventions, but also called for epistemological and methodological shift within intellectual labor about prisons. This essay turns to the work of the GIP, and philosophical reflection on that work, as a resource for contemporary theological methodology. Counter to the optimistic and positive trend in theological turn to practices, this essay draws on Foucault’s work with and reflection on the GIP to argue for a negative theology of practice, which centers on practice (those concrete narratives found in any lived theological context) while, at the same time, sustaining its place in the critical moment of self-reflection; this means theology exposes itself to the risk of reimagining, in the double-movement of self-critique and other-reponse, what theology is. In order to harness and tap into its own moral, abolitionist imagination, this essay argues that theology must risk (paradoxically) and pursue (ideally) its own abolition—it must consider practices outside of its own theological and ecclesial frameworks as potential sources, and it must attend closely, critically, and continually to the ways that Christian practices, and accounts of them, perpetuate and produce harm.