bluuebunny/crossref_metadata_2025 huggingface dataset:
General Practitioners Records Are Epidemiological Predictors of Comorbidities: An Analytical Cross-Sectional 10-Year Retrospective Study
Authors: Cavallo Pierpaolo , Pagano Sergio , De Santis Mario , Capobianco Enrico
Published: July 2018

Background. Comorbidity represents the co-occurrence of pathological conditions in the same individual, and presents with very complex patterns. In most cases, reference data for the study of various types of comorbidities linked to complex diseases are those of hospitalized patients. Such patients may likely require cure due to acute conditions. We consider the emerging role of EHR (Electronic Healthcare Records), and study comorbidity patterns in a general population, focusing on diabetic and non-diabetic patients. Methods. We propose a cross-sectional 10-year retrospective study of 14,958 patients and 1,728,736 prescriptions obtained from family doctors, and thus refer to these data as General Practitioner Records (GPR). We then choose networks as the tools to analyze the diabetes comorbidity patterns, distinguished by both prescription type and main patient characteristics (age, gender). Results. As expected, comorbidity increases with patients’ age, and the network representations allow the assessment of associations between morbidity groups. The specific morbidities present in the diabetic population justify the higher comorbidity patterns observed in the target group compared to the non-diabetic population. Conclusions. GPR are usually combined with other data types in EHR studies, but we have shown that prescription data have value as standalone predictive tools, useful to anticipate trends observed at epidemiological level on large populations. This study is thus relevant to policy makers seeking inference tools for an efficient use of massive administrative database resources, and suggests a strategy for detecting comorbidities and investigating their evolution.
Study of the Lubricating Ability of Protic Ionic Liquid on an Aluminum–Steel Contact
Authors: Patel Akshar , Guo Hong , Iglesias Patricia
Published: July 2018

Contact friction between moving components leads to severe wear and failure of engineering parts, resulting in large economic losses. The lubricating ability of the protic ionic liquid, tri-[bis(2-hydroxyethylammonium)] citrate (DCi), was studied as a neat lubricant and as an additive in a mineral oil (MO) at various sliding velocities and constant load on an aluminum–steel contact using a pin-on-disk tribometer. Tribological tests were also performed at different concentrations of DCi. When DCi was used as an additive in MO, friction coefficient and wear volume were reduced for each sliding velocity, with a maximum friction and wear reduction of 16% and 40%, respectively, when 2 wt % DCi was added to MO at a sliding velocity of 0.15 m/s. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX) were also applied to analyze the wear mechanism of the interface lubricated by MO and DCi as additive.
Effect of POSS Particles and Synergism Action of POSS and Poly-(Melamine Phosphate) on the Thermal Properties and Flame Retardance of Silicone Rubber Composites
Authors: Rybiński Przemysław , Syrek Bartłomiej , Bradło Dariusz , Żukowski Witold
Published: July 2018

This article presents flame retardant compounds for silicone rubber (SR) in the form of polyhedral oligomeric silsequioxanes (POSS), containing both isobutyl groups and amino-propyl (AM-POSS) or chloro-propyl group (HA-POSS) or vinyl groups (OL-POSS). Silsequioxanes were incorporated into the silicone rubber matrix in a quantity of 3 and 6 parts by wt by the method of reactive stirring with the use of a laboratory mixing mill. Based on the analyses performed by TG (Thermogravimetry) FTIR (Fourier Transform Infrared Spectroscopy), conical calorimeter, and SEM-EDX (Scanning Electron Microscopy and Energy Dispersive X-ray Spectroscopy) methods, the thermal degradation mechanism of non-cross-linked and cross-linked silicone rubber has been elucidated. The effects of POSS, and POSS in a synergic system with melamine polyphosphate (MPP), on the thermal properties and flammability of silicone rubber composites were presented. Based on the test results obtained, a mechanism of flame retardant action POSS and POSS-MPP has been proposed. It has been shown that POSS, especially with MPP, considerably increases the thermal stability and decreases the flammability of the SR rubber composites under investigation.
Pattern-Dependent Mammalian Cell (Vero) Morphology on Tantalum/Silicon Oxide 3D Nanocomposites
Authors: Moussa Hassan I. , Logan Megan , Chan Wing Y. , Wong Kingsley , Rao Zheng , Aucoin Marc G. , Tsui Ting Y.
Published: July 2018

The primary goal of this work was to investigate the resulting morphology of a mammalian cell deposited on three-dimensional nanocomposites constructed of tantalum and silicon oxide. Vero cells were used as a model. The nanocomposite materials contained comb structures with equal-width trenches and lines. High-resolution scanning electron microscopy and fluorescence microscopy were used to image the alignment and elongation of cells. Cells were sensitive to the trench widths, and their observed behavior could be separated into three different regimes corresponding to different spreading mechanism. Cells on fine structures (trench widths of 0.21 to 0.5 μm) formed bridges across trench openings. On larger trenches (from 1 to 10 μm), cells formed a conformal layer matching the surface topographical features. When the trenches were larger than 10 μm, the majority of cells spread like those on blanket tantalum films; however, a significant proportion adhered to the trench sidewalls or bottom corner junctions. Pseudopodia extending from the bulk of the cell were readily observed in this work and a minimum effective diameter of ~50 nm was determined for stable adhesion to a tantalum surface. This sized structure is consistent with the ability of pseudopodia to accommodate ~4–6 integrin molecules.
N,P-Codoped Carbon Layer Coupled with MoP Nanoparticles as an Efficient Electrocatalyst for Hydrogen Evolution Reaction
Authors: Wang Shuai , Wang Jia , Li Ping , Wu Zexing , Liu Xien
Published: July 2018

Efficient electrocatalyst plays a significant role on the development of hydrogen energy. In this work, an N,P-codoped carbon layer coupled with MoP nanoparticles (MoP/NPCs) was prepared through a facile high-temperature pyrolysis treatment. The obtained MoP/NPCs presented efficient activity for hydrogen evolution reaction (HER), with low onset potential of 90 mV, and a small Tafel slope (71 mV dec−1), as well as extraordinary stability in acidic electrolyte. This work provides a new facile strategy for the design and synthesis of sustainable and effective molybdenum-based electrocatalysts as alternatives to non-Pt catalysts for HER.
Epigenetic Modifiers Induce Bioactive Phenolic Metabolites in the Marine-Derived Fungus Penicillium brevicompactum
Authors: El-Hawary Seham S. , Sayed Ahmed M. , Mohammed Rabab , Hassan Hossam M. , Zaki Mohamed A. , Rateb Mostafa E. , Mohammed Tarek A. , Amin Elham , Abdelmohsen Usama Ramadan
Published: July 2018

Fungi usually contain gene clusters that are silent or cryptic under normal laboratory culture conditions. These cryptic genes could be expressed for a wide variety of bioactive compounds. One of the recent approaches to induce production of such cryptic fungal metabolites is to use histone deacetylases (HDACs) inhibitors. In the present study, the cultures of the marine-derived fungus Penicillium brevicompactum treated with nicotinamide and sodium butyrate were found to produce a lot of phenolic compounds. Nicotinamide treatment resulted in the isolation and identification of nine compounds 1–9. Sodium butyrate also enhanced the productivity of anthranilic acid (10) and ergosterol peroxide (11). The antioxidant as well as the antiproliferative activities of each metabolite were determined. Syringic acid (4), sinapic acid (5), and acetosyringone (6) exhibited potent in vitro free radical scavenging, (IC50 20 to 30 µg/mL) and antiproliferative activities (IC50 1.14 to 1.71 µM) against HepG2 cancer cell line. Furthermore, a pharmacophore model of the active compounds was generated to build up a structure-activity relationship.
Cosmetic and Therapeutic Applications of Fish Oil’s Fatty Acids on the Skin
Authors: Huang Tse-Hung , Wang Pei-Wen , Yang Shih-Chun , Chou Wei-Ling , Fang Jia-You
Published: July 2018

Fish oil has been broadly reported as a potential supplement to ameliorate the severity of some skin disorders such as photoaging, skin cancer, allergy, dermatitis, cutaneous wounds, and melanogenesis. There has been increasing interest in the relationship of fish oil with skin protection and homeostasis, especially with respect to the omega-3 polyunsaturated fatty acids (PUFAs), docosahexaenoic acid (DHA), and eicosapentaenoic acid (EPA). The other PUFAs, such as α-linolenic acid (ALA) and linoleic acid (LA), also show a beneficial effect on the skin. The major mechanisms of PUFAs for attenuating cutaneous inflammation are the competition with the inflammatory arachidonic acid and the inhibition of proinflammatory eicosanoid production. On the other hand, PUFAs in fish oil can be the regulators that affect the synthesis and activity of cytokines for promoting wound healing. A systemic review was conducted to demonstrate the association between fish oil supplementation and the benefits to the skin. The following describes the different cosmetic and therapeutic approaches using fatty acids derived from fish oil, especially ALA, LA, DHA, and EPA. This review summarizes the cutaneous application of fish oil and the related fatty acids in the cell-based, animal-based, and clinical models. The research data relating to fish oil treatment of skin disorders suggest a way forward for generating advances in cosmetic and dermatological uses.
Extraction and Yield Optimisation of Fucose, Glucans and Associated Antioxidant Activities from Laminaria digitata by Applying Response Surface Methodology to High Intensity Ultrasound-Assisted Extraction
Authors: Garcia-Vaquero Marco , Rajauria Gaurav , Tiwari Brijesh , Sweeney Torres , O’Doherty John
Published: July 2018

The objectives of this study were to employ response surface methodology (RSM) to investigate and optimize the effect of ultrasound-assisted extraction (UAE) variables, temperature, time and amplitude on the yields of polysaccharides (fucose and total glucans) and antioxidant activities (ferric reducing antioxidant power (FRAP) and 1,1-diphenyl-2-picryl-hydrazyl radical scavenging activity (DPPH)) from Laminaria digitata, and to explore the suitability of applying the optimum UAE conditions for L. digitata to other brown macroalgae (L. hyperborea and Ascophyllum nodosum). The RSM with three-factor, four-level Box-Behnken Design (BBD) was used to study and optimize the extraction variables. A second order polynomial model fitted well to the experimental data with R2 values of 0.79, 0.66, 0.64, 0.73 for fucose, total glucans, FRAP and DPPH, respectively. The UAE parameters studied had a significant influence on the levels of fucose, FRAP and DPPH. The optimised UAE conditions (temperature = 76 °C, time = 10 min and amplitude = 100%) achieved yields of fucose (1060.7 ± 70.6 mg/100 g dried seaweed (ds)), total glucans (968.6 ± 13.3 mg/100 g ds), FRAP (8.7 ± 0.5 µM trolox/mg freeze-dried extract (fde)) and DPPH (11.0 ± 0.2%) in L. digitata. Polysaccharide rich extracts were also attained from L. hyperborea and A. nodosum with variable results when utilizing the optimum UAE conditions for L. digitata.
Topical Anti-Inflammatory and Analgesic Activities of Citrullus colocynthis Extract Cream in Rats
Authors: Pashmforosh Marzieh , Rajabi Vardanjani Hossein , Rajabi Vardanjani Hassan , Pashmforosh Mahdi , Khodayar Mohammad Javad
Published: July 2018

Background and objectives:Citrullus colocynthis (CC), known as bitter apple, is used to treat diabetes in Iranian traditional medicine. The aim of this study is to evaluate the anti-inflammatory and analgesic activities of CC cream in rats. Materials and Methods: The carrageenan-induced edema in a rat hind paw was carried out to evaluate the topical anti-inflammatory effect of the CC fruit extract cream (2–8%) and the tissue levels of IL-6 and TNF-α were estimated by using a commercial ELISA kit. The topical antinociceptive activity of CC cream (2–8%) was evaluated in the rat formalin test. To determine the role of opioid receptors in the local antinociceptive effect of the CC cream, naloxone (20 μg/paw, i.pl.), a non-selective opioid antagonist, was used. Results: The results showed that the CC cream (2–8%) dose-dependently reduced the carrageenan-induced paw edema and reversed the changes in the level of TNF-α and IL-6 due to carrageenan-induced edema (p < 0.01). The anti-inflammatory effect of CC cream 8% was comparable to that of hydrocortisone ointment 1%. Furthermore, the application of CC cream (2–8%) dose-dependently inhibited both first and second phases of the formalin test (p < 0.05). The antinociceptive effect of the CC cream (8%) was comparable to that of methyl salicylate cream 30%. Moreover, the administration of naloxone significantly reversed the topical antinociceptive effect of the CC cream (p < 0.05). Conclusions: For the first time, this study indicated that the topical application of CC cream possesses significant anti-inflammatory and antinociceptive activities in animal models, which were probably mediated by opioid receptors and the suppression of pro-inflammatory cytokines (TNF-α and IL-6). Thus, the CC cream can be used to treat inflammatory pain and inflammatory diseases.
Hypoglicemic and Hypolipedimic Effects of Ganoderma lucidum in Streptozotocin-Induced Diabetic Rats
Authors: Bach Erna Elisabeth , Hi Edgar Matias Bach , Martins Ana Maria Cristina , Nascimento Paloma A. M. , Wadt Nilsa Sumie Yamashita
Published: July 2018

Background:Ganoderma lucidum (Leyss. Ex. Fr) Karst is a basidiomycete mushroom that has been used for many years as a food supplement and medicine. In Brazil, National Health Surveillance Agency (ANVISA) classified Ganoderma lucidum as a nutraceutical product. The objective of the present work was to observe the effects of an extract from Ganoderma lucidum in rats treated with streptozotocin, and an agent that induces diabetes. Method: Male Wistar rats were obtained from the animal lodging facilities of both University Nove de Julho (UNINOVE) and Lusiada Universitary Center (UNILUS) with approval from the Ethics Committee for Animal Research. Animals were separated into groups: (1) C: Normoglycemic control water; (2) CE: Normoglycemic control group that received hydroethanolic extract (GWA); (3) DM1 + GWA: Diabetic group that received extract GWA; and (4) DM1: Diabetic group that received water. The treatment was evaluated over a 30-day period. Food and water were weighted, and blood plasma biochemical analysis performed. Results: G. lucidum extract contained beta-glucan, proteins and phenols. Biochemical analysis indicated a decrease of plasma glycemic and lipid levels in DM rats induced with streptozotocin and treated with GWA extract. Histopathological analysis from pancreas of GWA-treated DM animals showed preservation of up to 50% of pancreatic islet total area when compared to the DM control group. In plasma, Kyn was present in diabetic rats, while in treated diabetic rats more Trp was detected. Conclusion: Evaluation from G. lucidum extract in STZ-hyperglycemic rats indicated that the extract possesses hypoglycemic and hypolipidemic activities. Support: Proj. CNPq 474681/201.
Inhibition of Homophilic Interactions and Ligand Binding of the Receptor for Advanced Glycation End Products by Heparin and Heparin-Related Carbohydrate Structures
Authors: Rouhiainen Ari , Nykänen Niko-Petteri , Kuja-Panula Juha , Vanttola Päivi , Huttunen Henri J. , Rauvala Heikki
Published: July 2018

Background: Heparin and heparin-related sulphated carbohydrates inhibit ligand binding of the receptor for advanced glycation end products (RAGE). Here, we have studied the ability of heparin to inhibit homophilic interactions of RAGE in living cells and studied how heparin related structures interfere with RAGE–ligand interactions. Methods: Homophilic interactions of RAGE were studied with bead aggregation and living cell protein-fragment complementation assays. Ligand binding was analyzed with microwell binding and chromatographic assays. Cell surface advanced glycation end product binding to RAGE was studied using PC3 cell adhesion assay. Results: Homophilic binding of RAGE was mediated by V1- and modulated by C2-domain in bead aggregation assay. Dimerisation of RAGE on the living cell surface was inhibited by heparin. Sulphated K5 carbohydrate fragments inhibited RAGE binding to amyloid β-peptide and HMGB1. The inhibition was dependent on the level of sulfation and the length of the carbohydrate backbone. α-d-Glucopyranosiduronic acid (glycyrrhizin) inhibited RAGE binding to advanced glycation end products in PC3 cell adhesion and protein binding assays. Further, glycyrrhizin inhibited HMGB1 and HMGB1 A-box binding to heparin. Conclusions: Our results show that K5 polysaccharides and glycyrrhizin are promising candidates for RAGE targeting drug development.
A Multi-Methodological Protocol to Characterize PDO Olive Oils
Authors: Circi Simone , Ingallina Cinzia , Vista Silvia , Capitani Donatella , Di Vecchia Andrea , Leonardi Genesio , D’Achille Giovanni , Centauri Luigi , Camin Federica , Mannina Luisa
Published: July 2018

An analytical approach including Panel Test, Isotope Ratio Mass Spectrometry (IRMS) and Nuclear Magnetic Resonance (NMR) spectroscopy was proposed to characterize Italian “Colline Pontine” PDO olive oils (40 samples) of two consecutive crop years. Our approach has evidenced the high quality of these olive oils. Only 6 of 40 olive oils samples were defined as “defective” by the official Panel Test due to the detection of negative sensory attributes. The low variability of isotopic data monitored by IRMS confirmed that the olive oil samples all came from a limited geographical area. NMR spectra did not evidence any chemical composition anomaly in the investigated samples. In order to assess the influence of harvesting year over the olive oil chemical composition, the NMR analysis was extended to other 22 olive oil samples of a third harvesting year. NMR data were submitted to two different statistical methods, namely, analysis of variance (ANOVA) and principal component analysis (PCA) allowing olive oils of three consecutive harvesting years to be grouped.
Effects of Annealing Temperature on Optical Band Gap of Sol-gel Tungsten Trioxide Films
Authors: Zhang Guanguang , Lu Kuankuan , Zhang Xiaochen , Yuan Weijian , Shi Muyang , Ning Honglong , Tao Ruiqiang , Liu Xianzhe , Yao Rihui , Peng Junbiao
Published: July 2018

Tungsten trioxide (WO3) is a wide band gap semiconductor material that is used as an important electrochromic layer in electrochromic devices. In this work, the effects of the annealing temperature on the optical band gap of sol-gel WO3 films were investigated. X-ray Diffraction (XRD) showed that WO3 films were amorphous after being annealed at 100 °C, 200 °C and 300 °C, respectively, but became crystallized at 400 °C and 500 °C. An atomic force microscope (AFM) showed that the crystalline WO3 films were rougher than the amorphous WO3 films (annealed at 200 °C and 300 °C). An ultraviolet spectrophotometer showed that the optical band gap of the WO3 films decreased from 3.62 eV to 3.30 eV with the increase in the annealing temperature. When the Li+ was injected into WO3 film in the electrochromic reaction, the optical band gap of the WO3 films decreased. The correlation between the optical band gap and the electrical properties of the WO3 films was found in the electrochromic test by analyzing the change in the response time and the current density. The decrease in the optical band gap demonstrates that the conductivity increases with the corresponding increase in the annealing temperature.
The Influence of Spectral Interferences on Critical Element Determination with Portable X-Ray Fluorescence (pXRF)
Authors: Gallhofer Daniela , Lottermoser Bernd
Published: July 2018

Field portable X-ray fluorescence (pXRF) spectrometers are routinely used in mineral resources studies. To date, mineral resources studies have largely focussed on the application of pXRF to the exploration for deposits of base and precious metals. By contrast, studies using pXRF for the quantification of critical elements in geological materials are scarce since these elements are difficult to determine with energy-dispersive pXRF technology. This study explores the capability of pXRF spectrometers to detect and quantify critical elements (Ba, P, Nb, V, Co, REE, W, Bi, Hf, and Ta) in certified reference materials (CRMs). While precision of many critical elements is acceptable (<20% RSD), accuracy can be poor (>50% difference) when using pre-installed factory calibration software. Spectra collected during the pXRF measurements show that poor accuracy and false positives tend to be associated with spectral interferences. Distinct combinations of spectral interferences (line overlaps, Compton scattered peaks, and Si escape peaks) were observed in the different matrix types. Our results show that critical elements may be determined in common geological materials when pronounced peaks occur in the spectra and that matrix-match of standards and samples is essential. Hence, XRF spectra should be routinely reviewed to identify erroneous quantification due to spectral interferences.
Improved Enantioselectivity for Atenolol Employing Pivot Based Molecular Imprinting
Authors: Bodoki Andreea Elena , Iacob Bogdan-Cezar , Gliga Laura Elena , Oprean Simona Luminita , Spivak David A. , Gariano Nicholas A. , Bodoki Ede
Published: July 2018

In the last few decades, molecular imprinting technology went through a spectacular evolution becoming a well-established tool for the synthesis of highly selective biomimetic molecular recognition platforms. Nevertheless, there is still room for advancement in the molecular imprinting of highly polar chiral compounds. The aim of the present work was to investigate the favorable kosmotropic effect of a ternary complex involving a polar chiral template (eutomer of atenolol) and a functional monomer, bridged by a central metal ion through well-defined, spatially directional coordinate bonds. The efficiency of the chiral molecular recognition was systematically assessed on polymers obtained both by non-covalent and metal-mediated molecular imprinting. The influence on the chromatographic retention and enantioselectivity of different experimental variables (functional monomers, cross-linkers, chaotropic agents, metal ions, porogenic systems, etc.) were studied on both slurry packed and monolithic HPLC columns. Deliberate changes in the imprinting and rebinding (chromatographic) processes, along with additional thermodynamic studies shed light on the particularities of the molecular recognition mechanism. The best performing polymer in terms of enantioselectivity (α = 1.60) was achieved using 4-vinyl pyridine as functional monomer and secondary ligand for the Co(II)-mediated imprinting of S-atenolol in the presence of EDMA as cross-linker in a porogenic mixture of [BMIM][BF4]:DMF:DMSO = 10:1:5, v/v/v.
Be Aware of Aggregators in the Search for Potential Human ecto-5′-Nucleotidase Inhibitors
Authors: Viviani Lucas G. , Piccirillo Erika , Cheffer Arquimedes , De Rezende Leandro , Ulrich Henning , Carmona-Ribeiro Ana Maria , Amaral Antonia T.-do
Published: July 2018

Promiscuous inhibition due to aggregate formation has been recognized as a major concern in drug discovery campaigns. Here, we report some aggregators identified in a virtual screening (VS) protocol to search for inhibitors of human ecto-5′-nucleotidase (ecto-5′-NT/CD73), a promising target for several diseases and pathophysiological events, including cancer, inflammation and autoimmune diseases. Four compounds (A, B, C and D), selected from the ZINC-11 database, showed IC50 values in the micromolar range, being at the same time computationally predicted as potential aggregators. To confirm if they inhibit human ecto-5′-NT via promiscuous mechanism, forming aggregates, enzymatic assays were done in the presence of 0.01% (v/v) Triton X-100 and an increase in the enzyme concentration by 10-fold. Under both experimental conditions, these four compounds showed a significant decrease in their inhibitory activities. To corroborate these findings, turbidimetric assays were performed, confirming that they form aggregate species. Additionally, aggregation kinetic studies were done by dynamic light scattering (DLS) for compound C. None of the identified aggregators has been previously reported in the literature. For the first time, aggregation and promiscuous inhibition issues were systematically studied and evaluated for compounds selected by VS as potential inhibitors for human ecto-5′-NT. Together, our results reinforce the importance of accounting for potential false-positive hits acting by aggregation in drug discovery campaigns to avoid misleading assay results.
Correcting Errors in Image Encryption Based on DNA Coding
Authors: Wang Bin , Xie Yingjie , Zhou Shihua , Zheng Xuedong , Zhou Changjun
Published: July 2018

As a primary method, image encryption is widely used to protect the security of image information. In recent years, image encryption pays attention to the combination with DNA computing. In this work, we propose a novel method to correct errors in image encryption, which results from the uncertainty of DNA computing. DNA coding is the key step for DNA computing that could decrease the similarity of DNA sequences in DNA computing as well as correct errors from the process of image encryption and decryption. The experimental results show our method could be used to correct errors in image encryption based on DNA coding.
Highly Efficient Recyclable Sol Gel Polymer Catalyzed One Pot Difunctionalization of Alkynes
Authors: Domena Justin , Chong Carlos , Johnson Qiaxian R. , Chauhan Bhanu P. S. , Xing Yalan
Published: July 2018

Amino-bridged gel polymer P1 was discovered to catalyze alkyne halo-functionalization in excellent yields, regioselectivity, functional group compatibility, and recyclability. We have observed that both aromatic and aliphatic alkynes can be converted to α,α-dihalogenated ketones in the presence of polymer P1 under metal-free conditions at room temperature within a short reaction time.
Decursinol Angelate Inhibits LPS-Induced Macrophage Polarization through Modulation of the NFκB and MAPK Signaling Pathways
Authors: Islam Salman , Lee Jung , Shehzad Adeeb , Ahn Eun-Mi , Lee You , Lee Young
Published: July 2018

Inflammation is considered the root cause of various inflammatory diseases, including cancers. Decursinol angelate (DA), a pyranocoumarin compound obtained from the roots of Angelica gigas, has been reported to exhibit potent anti-inflammatory effects. In this study, the anti-inflammatory effects of DA on the MAP kinase and NFκB signaling pathways and the expression of pro-inflammatory cytokines were investigated in phorbol 12-myristate 13-acetate (PMA)-activated human promyelocytic leukemia (HL-60) and lipopolysaccharide (LPS)-stimulated macrophage (Raw 264.7) cell lines. PMA induced the activation of the MAP kinase-NFκB pathway and the production of pro-inflammatory cytokines in differentiated monocytes. Treatment with DA inhibited the activation of MAP kinases and the translocation of NFκB, and decreased the expression and exogenous secretion of IL-1β and IL-6. Furthermore, LPS-stimulated Raw 264.7 cells were found to have increased expression of M1 macrophage-associated markers, such as NADPH oxidase (NOX) and inducible nitric oxide synthase (iNOS), and the M2 macrophage-associated marker CD11b. LPS also activated pro-inflammatory cytokines and Erk-NFκB. Treatment with DA suppressed LPS-induced macrophage polarization and the inflammatory response by blocking Raf-ERK and the translocation of NFκB in Raw 264.7 cells. Treatment with DA also inhibited the expression of pro-inflammatory cytokines, such as IL-1β and IL-6, NOX, and iNOS in Raw 264.7 cells. These results suggest that DA has the potential to inhibit macrophage polarization and inflammation by blocking the activation of pro-inflammatory signals. These anti-inflammatory effects of DA may contribute to its potential use as a therapeutic strategy against various inflammation-induced cancers.
Preparation and Evaluation of Oseltamivir Molecularly Imprinted Polymer Silica Gel as Liquid Chromatography Stationary Phase
Authors: Yang Ya-Jun , Liu Xi-Wang , Kong Xiao-Jun , Qin Zhe , Jiao Zeng-Hua , Li Shi-Hong , Li Jian-Yong
Published: July 2018

To improve the chromatographic performance of an oseltamivir (OS) molecularly imprinted polymer (MIP), silica gel coated with an MIP layer for OS (OSMIP@silica gel) was prepared by the surface molecular imprinting technology on the supporter of porous silica gel microspheres. A nonimprinted polymer with the silica gel (NIP@silica gel) was also prepared for comparison. The obtained particles were characterized through FT–IR, scanning electron microscopy, specific surface area analysis, and porosity measurements. The results indicated that the polymer was successfully synthesized and revealed the structural differences between imprinted and nonimprinted polymers. The results of static adsorption experiments showed that adsorption quantity of the OSMIP@silica gel for OS was higher than that for NIP@silica gel, and the OSMIP@silica gel had two kinds of affinity sites for OS but the NIP@silica gel had one. The chromatographic performance of the OSMIP@silica gel column had significant improvement. The imprinting factor of the OSMIP@silica gel column for OS was 1.64. Furthermore, the OSMIP@silica gel column showed good affinity and selectivity for template OS and another neuraminidase inhibitor, peramivir, but not for quinocetone. These results indicated that the prepared OSMIP could be used to simulate the activity center of neuraminidase, and the OSMIP@silica gel column could be also employed in future studies to search for more active neuraminidase inhibitor analogues from traditional Chinese herbs.
Regio- and Stereoselective Allylindation of Alkynes Using InBr3 and Allylic Silanes: Synthesis, Characterization, and Application of 1,4-Dienylindiums toward Skipped Dienes
Authors: Nishimoto Yoshihiro , Yi Junyi , Takata Tatsuaki , Baba Akio , Yasuda Makoto
Published: July 2018

Regioselective anti-allylindation of alkynes was achieved using InBr3 and allylic silanes. Various types of alkynes and allylic silanes were applicable to the present allylindation. This sequential process used the generated 1,4-dienylindiums to establish novel synthetic methods for skipped dienes. The 1,4-dienylindiums were characterized by spectral analysis and treated with I2 to stereoselectively give 1-iodo-1,4-dienes. The Pd-catalyzed cross coupling of 1,4-dienylindium with iodobenzene successfully proceeded in a one-pot manner to afford the corresponding 1-aryl-1,4-diene.
Effect of Dendrimer Generation and Aglyconic Linkers on the Binding Properties of Mannosylated Dendrimers Prepared by a Combined Convergent and Onion Peel Approach
Authors: Sehad Celia , Shiao Tze Chieh , Sallam Lamyaa M. , Azzouz Abdelkrim , Roy René
Published: July 2018

An efficient study of carbohydrate-protein interactions was achieved using multivalent glycodendrimer library. Different dendrimers with varied peripheral sugar densities and linkers provided an arsenal of potential novel therapeutic agents that could be useful for better specific action and greater binding affinities against their cognate protein receptors. Highly effective click chemistry represents the basic method used for the synthesis of mannosylated dendrimers. To this end, we used propargylated scaffolds of varying sugar densities ranging from 2 to 18 for the attachment of azido mannopyranoside derivatives using copper catalyzed click cycloaddition. Mannopyranosides with short and pegylated aglycones were used to evaluate their effects on the kinetics of binding. The mannosylated dendrons were built using varied scaffolds toward the accelerated and combined “onion peel” strategy These carbohydrates have been designed to fight E. coli urinary infections, by inhibiting the formation of bacterial biofilms, thus neutralizing the adhesion of FimH type 1 lectin present at the tip of their fimbriae against the natural multiantennary oligomannosides of uroplakin 1a receptors expressed on uroepithelial tissues. Preliminary DLS studies of the mannosylated dendrimers to cross- link the leguminous lectin Con A used as a model showed their high potency as candidates to fight the E. coli adhesion and biofilm formation.
The Behavior of Magnetic Properties in the Clusters of 4d Transition Metals
Authors: Berry Habte , Wang Baolin , Zhang Qinfang
Published: July 2018

The current focus of material science researchers is on the magnetic behavior of transition metal clusters due to its great hope for future technological applications. It is common knowledge that the 4d transition elements are not magnetic at their bulk size. However, studies indicate that their magnetic properties are strongly dependent on their cluster sizes. This study attempts to identify magnetic properties of 4d transition metal clusters. Using a tight-binding Friedel model for the density of d-electron states, we investigated the critical size for the magnetic-nonmagnetic transition of 4d transition-metal clusters. Approaching to the critical point, the density of states of the cluster near the Fermi level is higher than 1/J and the discrete energy levels form a quasi-continuous band. Where J is correlation integral. In order to determine the critical size, we considered a square shape band and fcc, bcc, icosahedral and cuboctahedral close-packed structures of the clusters. We also investigated this size dependent magnetic behavior using Heisenberg model. Taking some quantum mechanical approximations in to consideration, we determined magnetic behavior of the clusters. For practicality, we considered three clusters of transition metals (Ru, Rh and Pd) and the obtained results are in line with the results of previous studies.
Binding Affinity via Docking: Fact and Fiction
Authors: Pantsar Tatu , Poso Antti
Published: July 2018

In 1982, Kuntz et al. published an article with the title “A Geometric Approach to Macromolecule-Ligand Interactions”, where they described a method “to explore geometrically feasible alignment of ligands and receptors of known structure”. Since then, small molecule docking has been employed as a fast way to estimate the binding pose of a given compound within a specific target protein and also to predict binding affinity. Remarkably, the first docking method suggested by Kuntz and colleagues aimed to predict binding poses but very little was specified about binding affinity. This raises the question as to whether docking is the right tool to estimate binding affinity. The short answer is no, and this has been concluded in several comprehensive analyses. However, in this opinion paper we discuss several critical aspects that need to be reconsidered before a reliable binding affinity prediction through docking is realistic. These are not the only issues that need to be considered, but they are perhaps the most critical ones. We also consider that in spite of the huge efforts to enhance scoring functions, the accuracy of binding affinity predictions is perhaps only as good as it was 10–20 years ago. There are several underlying reasons for this poor performance and these are analyzed. In particular, we focus on the role of the solvent (water), the poor description of H-bonding and the lack of the systems’ true dynamics. We hope to provide readers with potential insights and tools to overcome the challenging issues related to binding affinity prediction via docking.
Robust CRISPR/Cas9 Genome Editing of the HUDEP-2 Erythroid Precursor Line Using Plasmids and Single-Stranded Oligonucleotide Donors
Authors: Moir-Meyer Gemma , Cheong Pak Leng , Olijnik Aude-Anais , Brown Jill , Knight Samantha , King Andrew , Kurita Ryo , Nakamura Yukio , Gibbons Richard J. , Higgs Douglas R. , Buckle Veronica J. , Babbs Christian
Published: July 2018

The study of cellular processes and gene regulation in terminal erythroid development has been greatly facilitated by the generation of an immortalised erythroid cell line derived from Human Umbilical Derived Erythroid Precursors, termed HUDEP-2 cells. The ability to efficiently genome edit HUDEP-2 cells and make clonal lines hugely expands their utility as the insertion of clinically relevant mutations allows study of potentially every genetic disease affecting red blood cell development. Additionally, insertion of sequences encoding short protein tags such as Strep, FLAG and Myc permits study of protein behaviour in the normal and disease state. This approach is useful to augment the analysis of patient cells as large cell numbers are obtainable with the additional benefit that the need for specific antibodies may be circumvented. This approach is likely to lead to insights into disease mechanisms and provide reagents to allow drug discovery. HUDEP-2 cells provide a favourable alternative to the existing immortalised erythroleukemia lines as their karyotype is much less abnormal. These cells also provide sufficient material for a broad range of analyses as it is possible to generate in vitro-differentiated erythroblasts in numbers 4–7 fold higher than starting cell numbers within 9–12 days of culture. Here we describe an efficient, robust and reproducible plasmid-based methodology to introduce short (<20 bp) DNA sequences into the genome of HUDEP-2 cells using the clustered regularly interspaced short palindromic repeats (CRISPR)/CRISPR associated protein 9 Cas9 system combined with single-stranded oligodeoxynucleotide (ssODN) donors. This protocol produces genetically modified lines in ~30 days and could also be used to generate knock-out and knock-in mutations.
Synthesis of Me Doped Mg(OH)2 Materials for Thermochemical Heat Storage
Authors: Piperopoulos Elpida , Fazio Marianna , Mastronardo Emanuela
Published: July 2018

In order to investigate the influence of metal (Me) doping in Mg(OH)2 synthesis on its thermochemical behavior, Ca2+, Co2+ and Ni2+ ions were inserted in Mg(OH)2 matrix and the resulting materials were investigated for structural, morphological and thermochemical characterization. The densification of the material accompanied by the loss in porosity significantly influenced the hydration process, diminishing the conversion percentage and the kinetics. On the other hand, it increased the volumetric stored/released heat capacity (between 400 and 725 MJ/m3), reaching almost three times the un-doped Mg(OH)2 value.
Cement-Induced Coagulation of Aqueous Graphene Oxide with Ultrahigh Capacity and High Rate Behavior
Authors: Yuan Xiaoya , Niu Jiawei , Zeng Junjie , Jing Qiuye
Published: July 2018

Graphene oxide (GO) has excellent physicochemical properties and is used in multiple areas. However, the potential toxicity and environmental problems associated with GO increase its risk to the ecological system. In this study, cement was employed as a coagulant to eliminate GO from aqueous solutions. The effects of the cement dosage, the contact time, and the concentration and volume of the aqueous GO solution on the GO coagulation capacity were investigated in detail. The results showed that the dosage of cement had a significant effect on the coagulation process, and coagulation equilibrium was achieved in less than 1 h. Compared to coagulants used to remove GO from water in other reports, cement exhibited an ultrahigh coagulation capacity of approximately 5981.2 mg/g with 0.4 mg/mL GO solution. The kinetic analysis showed that the GO removal behavior could be described by a pseudo second-order model. The in-depth mechanism of GO coagulation using cement included Ca2+-induced coagulation of GO and adsorption by the hydrated product of cement paste. The present study revealed that cement could be a very cheap and promising material for the efficient elimination of GO from aqueous solutions.
Fabrication and Characterization of Multiscale PLA Structures Using Integrated Rapid Prototyping and Gas Foaming Technologies
Authors: Park Byung Kyu , Hwang David J. , Kwon Dong Eui , Yoon Tae Jun , Lee Youn-Woo
Published: July 2018

Multiscale structured polymers have been considered as a promising category of functional materials with unique properties. We combined rapid prototyping and gas foaming technologies to fabricate multiscale functional materials of superior mechanical and thermal insulation properties. Through scanning electron microscope based morphological characterization, formation of multiscale porous structure with nanoscale cellular pores was confirmed. Improvement in mechanical strength is attributed to rearrangement of crystals within CO2 saturated grid sample. It is also shown that a post-foaming temperature higher than the glass transition temperature deteriorates mechanical strength, providing process guidelines. Thermal decomposition of filament material sets the upper limit of temperature for 3D printed features, characterized by simultaneous differential scanning calorimetry and thermogravimetric analysis. Porosity of the fabricated 3D structured polylactic acid (PLA) foam is controllable by suitable tuning of foaming conditions. The fabricated multiscale 3D structures have potential for thermal insulation applications with lightweight and reasonable mechanical strength.
Spinodal Decomposition in Fe-25Cr-12Co Alloys under the Influence of High Magnetic Field and the Effect of Grain Boundary
Authors: Zhang Lin , Xiang Zhaolong , Li Xiaodi , Wang Engang
Published: July 2018

Fe-Cr-Co alloys precipitate nanosized α1 particles through spinodal decomposition, and their magnetic performance is susceptible to influence by the shape and arrangement of α1 particles. We studied spinodal decomposition during the heat treatment of Fe-Cr-Co alloys by both experimental and numerical simulation. Fe-Cr-Co alloys were fabricated first by directional solidification, followed by thermomagnetic treatment in a high magnetic field (HMF) and step aging. The experimental results show a spinodally decomposed structure consisting of nanosized α1 particles. The applied HMF caused the α1 phase to change into a rod-like shape. Moreover, a feather-like structure was observed near the grain boundary (GB), with slim α1 rods regularly arranged along the direction perpendicular to the GB. With the shape change and alignment of the α1 phase in the HMF, Fe-Cr-Co alloys show magnetic coercivity that is superior to those of samples without an HMF. To reveal the influence of HMF on phase transformations and the effect of GB, we conducted phase-field simulations of spinodal decomposition in the Fe-Cr-Co alloy. A migrating GB contributes to the elongation and arrangement of the α1 phase in the regions where the GB has passed. Thus, the α1 phase is arranged as parallel rods that are perpendicular to the GB. This GB effect consists of the effect of enhanced atomic mobility and the elastic energy. The α1 rods are elongated along the direction of HMF. The simulation results indicate that the feather-like structure is caused by a combined effect of both the GB and HMF. It is shown that the model generates microstructures which are qualitatively similar to those observed experimentally.
Predictors of Continued Breastfeeding at One Year among Women Attending Primary Healthcare Centers in Qatar: A Cross-Sectional Study
Authors: Nasser Amal , Omer Fadumo , Al-Lenqawi Fatima , Al-awwa Rehab , Khan Tamam , El-Heneidy Asmaa , Kurdi Rana , Al-Jayyousi Ghadir
Published: July 2018

The number of babies in Qatar being exclusively breastfed is significantly lower than the global target set by the World Health Organization. The purpose of this study was to assess knowledge, attitude, and practice (KAP), selected barriers, and professional support as well as their association with continued breastfeeding at one year of age. A sample of Qatari and non-Qatari mothers (N = 195) who attended a well-baby clinic held at primary health care centers in Qatar completed a self-administered questionnaire. Descriptive analysis, the Pearson Chi-squared test, and logistic regression were performed. Around 42% of the mothers stopped breastfeeding when their child was aged between 0 and 11 months old. Mothers who had only one or female child stopped breastfeeding between the ages of 0 and 6 months (p = 0.025, 0.059). The more optimal the breastfeeding practices followed by the mothers, the older the age of the infant when they stopped breastfeeding (p = 0.001). The following factors were inversely associated with breastfeeding duration: the mother’s perceptions that she “did not know how to breastfeed,” or “wasn’t making enough milk,” and the need “to return to work/school”, with p = 0.022, 0.004, and 0.022, respectively. These findings present factors that should be considered when planning for health education and promotion programs to prolong breastfeeding duration in Qatar.
Uptake of Australia’s Health Star Rating System
Authors: Jones Alexandra , Shahid Maria , Neal Bruce
Published: July 2018

In June 2014, Australia and New Zealand adopted a voluntary front-of-pack nutrition labelling scheme in the form of the Health Star Rating (HSR) system. Our aim was to assess its uptake in Australia while a formal five-year review of the system is underway. Numbers and proportions of products eligible to carry a HSR were recorded each year between 2014 and 2017 as part of an annual survey of four large Australian retail outlets. Mean HSR values were determined for products that were and were not labelled with a HSR logo, and summary data presented overall, by HSR score, by major food category, and for leading manufacturers. Results show that uptake is increasing: HSR appeared on 4348/15,767 (28%) of eligible products in 2017 and has now appeared on 7922 products since implementation. Of those products displaying a HSR logo, more than three-quarters (76.4%) displayed a HSR of ≥3.0. Products displaying a HSR logo had a higher mean HSR (3.4), compared to products not displaying a HSR logo (2.7). Uptake was highest on convenience foods (44%), cereals (36.7%), and fruit and vegetable products (35.9%). More than 100 manufacturers were using the system, but retailers Coles, Woolworths and Aldi were together responsible for 54% of uptake. For all except Coles, Woolworths and Campbell Arnott’s, the mean HSR of products displaying a logo on pack was higher than products made by that manufacturer not showing a HSR logo. We conclude that to ensure the consistent and widespread uptake required for consumers to make informed food purchases, HSR should be made mandatory at the conclusion of the five-year review.