bluuebunny/crossref_metadata_2025 huggingface dataset:
The Prognostic Significance of Histone Demethylase UTX in Esophageal Squamous Cell Carcinoma
Authors: Li Shau-Hsuan , Lu Hung-I , Huang Wan-Ting , Tien Wan-Yu , Lan Ya-Chun , Lin Wei-Che , Tsai Hsin-Ting , Chen Chang-Han
Published: January 2018

The dysregulation of the ubiquitously transcribed TPR gene on the X chromosome (UTX) has been reported to be involved in the oncogenesis of several types of cancers. However, the expression and significance of UTX in esophageal squamous cell carcinoma (ESCC) remains largely undetermined. Immunohistochemistry was performed in 106 ESCC patients, and correlated with clinicopathological features and survival. The functional role of UTX in ESCC cells was determined by UTX-mediated siRNA. Univariate analyses showed that high UTX expression was associated with superior overall survival (OS, p = 0.011) and disease-free survival (DFS, p = 0.01). UTX overexpression was an independent prognosticator in multivariate analysis for OS (p = 0.013, hazard ratio = 1.996) and DFS (p = 0.009, hazard ratio = 1.972). The 5-year OS rates were 39% and 61% in patients with low expression and high expression of UTX, respectively. Inhibition of endogenous UTX in ESCC cells increased cell viability and BrdU incorporation, and decreased the expression of epithelial marker E-cadherin. Immunohistochemically, UTX expression was also positively correlated with E-cadherin expression. High UTX expression is independently associated with a better prognosis in patients with ESCC and downregulation of UTX increases ESCC cell growth and decreases E-cadherin expression. Our results suggest that UTX may be a novel therapeutic target for patients with ESCC.
The Role of Sugar Transporter Genes during Early Infection by Root-Knot Nematodes
Authors: Zhao Dan , You Yang , Fan Haiyan , Zhu Xiaofeng , Wang Yuanyuan , Duan Yuxi , Xuan Yuanhu , Chen Lijie
Published: January 2018

Although pathogens such as nematodes are known to hijack nutrients from host plants, the mechanisms whereby nematodes obtain sugars from plants remain largely unknown. To determine the effects of nematode infection on host plant sugar allocation, soluble sugar (fructose, glucose, sucrose) content was investigated using high-performance liquid chromatography with refractive index detection and was found to increase significantly in tomato (Solanum lycopersicum, Sl) leaves and roots during early infection by root-knot nematodes (RKNs). To further analyze whether sugar transporters played a role in this process, the expression levels of sucrose transporter (SUT/SUC), Sugars Will Eventually be Exported Transporter (SWEET), tonoplast monosaccharide transporter (TMT), and vacuolar glucose transporter (VGT) gene family members were examined by qRT-PCR analysis after RKN infection. The results showed that three SlSUTs, 17 SlSWEETs, three SlTMTs, and SlVGT1 were upregulated in the leaves, whereas three SlSUTs, 17 SlSWEETs, two SlTMTs, and SlVGT1 were induced in the roots. To determine the function of the sugar transporters in the RKN infection process, we examined post-infection responses in the Atsuc2 mutant and pAtSUC2-GUS lines. β-glucuronidase expression was strongly induced at the infection sites, and RKN development was significantly arrested in the Atsuc2 mutant. Taken together, our analyses provide useful information for understanding the sugar transporter responses during early infection by RKNs in tomato.
Erratum: Lydia Visser et al. Characterization of the Microenvironment of Nodular Lymphocyte Predominant Hodgkin Lymphoma, Int. J. Mol. Sci. 2016, 17, 2127
Authors: Sattarzadeh Ahmad , Visser Lydia , Rutgers Bea , Diepstra Arjan , Van den Berg Anke
Published: January 2018

The authors regret to have made a mistake in publishing this paper [1] with an incorrect author list [...]
Effects of Exogenous Melatonin on Methyl Viologen-Mediated Oxidative Stress in Apple Leaf
Authors: Wei Zhiwei , Gao Tengteng , Liang Bowen , Zhao Qi , Ma Fengwang , Li Chao
Published: January 2018

Oxidative stress is a major source of damage of plants exposed to adverse environments. We examined the effect of exogenous melatonin (MT) in limiting of oxidative stress caused by methyl viologen (MV; paraquatin) in apple leaves (Malus domestica Borkh.). When detached leaves were pre-treated with melatonin, their level of stress tolerance increased. Under MV treatment, melatonin effectively alleviated the decrease in chlorophyll concentrations and maximum potential Photosystem II efficiency while also mitigating membrane damage and lipid peroxidation when compared with control leaves that were sprayed only with water prior to the stress experiment. The melatonin-treated leaves also showed higher activities and transcripts of antioxidant enzymes superoxide dismutase, peroxidase, and catalase. In addition, the expression of genes for those enzymes was upregulated. Melatonin-synthesis genes MdTDC1, MdT5H4, MdAANAT2, and MdASMT1 were also upregulated under oxidative stress in leaves but that expression was suppressed in response to 1 mM melatonin pretreatment during the MV treatments. Therefore, we conclude that exogenous melatonin mitigates the detrimental effects of oxidative stress, perhaps by slowing the decline in chlorophyll concentrations, moderating membrane damage and lipid peroxidation, increasing the activities of antioxidant enzymes, and changing the expression of genes for melatonin synthesis.
Heat Shock Proteins and Autophagy Pathways in Neuroprotection: From Molecular Bases to Pharmacological Interventions
Authors: Penke Botond , Bogár Ferenc , Crul Tim , Sántha Miklós , Tóth Melinda E. , Vígh László
Published: January 2018

Neurodegenerative diseases (NDDs) such as Alzheimer’s disease, Parkinson’s disease and Huntington’s disease (HD), amyotrophic lateral sclerosis, and prion diseases are all characterized by the accumulation of protein aggregates (amyloids) into inclusions and/or plaques. The ubiquitous presence of amyloids in NDDs suggests the involvement of disturbed protein homeostasis (proteostasis) in the underlying pathomechanisms. This review summarizes specific mechanisms that maintain proteostasis, including molecular chaperons, the ubiquitin-proteasome system (UPS), endoplasmic reticulum associated degradation (ERAD), and different autophagic pathways (chaperon mediated-, micro-, and macro-autophagy). The role of heat shock proteins (Hsps) in cellular quality control and degradation of pathogenic proteins is reviewed. Finally, putative therapeutic strategies for efficient removal of cytotoxic proteins from neurons and design of new therapeutic targets against the progression of NDDs are discussed.
Influence of Grapevine Cultivar on the Second Generations of Lobesia botrana and Eupoecilia ambiguella
Authors: Pavan Francesco , Stefanelli Giorgio , Villani Alberto , Cargnus Elena
Published: January 2018

Grapevine cultivar can affect susceptibility to Lobesia botrana and Eupoecilia ambiguella with important implications on control strategies. A four-year study was carried out in north-eastern Italy on 10 cultivars (Cabernet Sauvignon, Carménère, Chardonnay, Merlot, Refosco dal Peduncolo Rosso, Rhine Riesling, Sauvignon Blanc, Terrano, Tocai Friulano and Verduzzo Friulano) grown in the same vineyard to assess whether the cultivar affects second-generation population levels of the two vine moths and L. botrana larval age composition. The influence of bunch traits measured at the peak of egg hatching on demographic parameters was also evaluated. Over the four years, L. botrana significantly prevailed over E. ambiguella in nine cultivars. Chardonnay and Tocai Friulano were the most infested cultivars and Merlot was the least infested. At the sampling date, the age composition of L. botrana varied with cultivar, with the larvae being significantly older on Chardonnay and younger on Carménère, Merlot and Verduzzo Friulano. Older larval age was significantly associated with higher bunch compactness. Larval infestation was not significantly influenced by either bunch compactness or berry volume, which suggested a more important role for contact and volatile substances mostly originating from the berries. These results allow for the improvement of Integrated Pest Management strategy against vine moths.
Stable Image Registration for In-Vivo Fetoscopic Panorama Reconstruction
Authors: Gaisser Floris , Peeters Suzanne , Lenseigne Boris , Jonker Pieter , Oepkes Dick
Published: January 2018

A Twin-to-Twin Transfusion Syndrome (TTTS) is a condition that occurs in about 10% of pregnancies involving monochorionic twins. This complication can be treated with fetoscopic laser coagulation. The procedure could greatly benefit from panorama reconstruction to gain an overview of the placenta. In previous work we investigated which steps could improve the reconstruction performance for an in-vivo setting. In this work we improved this registration by proposing a stable region detection method as well as extracting matchable features based on a deep-learning approach. Finally, we extracted a measure for the image registration quality and the visibility condition. With experiments we show that the image registration performance is increased and more constant. Using these methods a system can be developed that supports the surgeon during the surgery, by giving feedback and providing a more complete overview of the placenta.
N-(3-Chloro-2-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
Authors: Uwabagira Nadine , Sarojini Balladka , Poojary Boja
Published: January 2018

The two precursors 3-chloro-2-methylphenylthiourea 2 and 4-fluorophenacyl bromide 4 are reacted under Hantzsch thiazole synthesis condition to yield the new compound N-(3-chloro-2-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine 5. The IR, 1H-NMR, 13C-NMR and mass spectral data are presented, along with its in vitro antibacterial activity against Staphylococcus aureus and Chromobacterium violaceum.
A Composite Photocatalyst Based on Hydrothermally-Synthesized Cu2ZnSnS4 Powders
Authors: Lin Shih-Jen , Ting Jyh-Ming , Hsu Kuo-Chin , Fu Yaw-Shyan
Published: January 2018

A novel composite photocatalyst based on Cu2ZnSnS4 (CZTS) powders was synthesized and investigated for use as a photocatalyst. CZTS powders were first made using a conventional hydrothermal method and were then used to grow silver nanoparticles hybridized onto the CZTS under various conditions through a microwave-assisted hydrothermal process. After the obtained samples were subsequently mixed with 1T-2H MoS2, the three synthesized component samples were characterized using X-ray diffractometry (XRD), scanning electron microscopy, transmission electron microscopy (FE-SEM, FE-TEM), UV-visible spectroscopy (UV-Vis), Brunauer-Emmet-Teller (BET), photoluminescence spectroscopy (PL), and X-ray photoelectron spectroscopy (XPS). The resulting samples were also used as photocatalysts for the degradation of methylene blue (MB) under a 300 W halogen lamp simulating sunlight with ~5% UV light. The photodegradation ability was greatly enhanced by the addition of Ag and 1T-2H MoS2. Excellent photodegradation of MB was obtained under visible light. The effects of material characteristics on the photodegradation were investigated and discussed.
Preparation of 1D Hierarchical Material Mesosilica/Pal Composite and Its Performance in the Adsorption of Methyl Orange
Authors: Wu Mei , Han Haifeng , Ni Lingli , Song Daiyun , Li Shuang , Hu Tao , Jiang Jinlong , Chen Jing
Published: January 2018

This paper highlights the synthesis of a one-dimensional (1D) hierarchical material mesosilica/palygorskite (Pal) composite and evaluates its adsorption performance for anionic dye methyl orange (MO) in comparison with Pal and Mobile crystalline material-41 (MCM-41). The Mesosilica/Pal composite is consisted of mesosilica coated Pal nanorods and prepared through a dual template approach using cetyltrimethyl ammonium bromide (CTAB) and Pal as soft and hard templates, respectively. The composition and structure of the resultant material was characterized by a scanning electron microscope (SEM), transmissionelectron microscopy (TEM), N2 adsorption-desorption analysis, small-angle X-Ray powder diffraction (XRD), and zeta potential measurement. Adsorption experiments were carried out with different absorbents at different contact times and pH levels. Compared with Pal and MCM-41, the mesosilica/Pal composite exhibited the best efficiency for MO adsorption. Its adsorption ratio is as high as 70.4%. Its adsorption equilibrium time is as short as 30 min. Results testify that the MO retention is promoted for the micro-mesoporous hierarchical structure and positive surface charge electrostatic interactions of the mesosilica/Pal composite. The regenerability of the mesosilica/Pal composite absorbent was also assessed. 1D morphology makes it facile to separate from aqueous solutions. It can be effortlessly recovered and reused for up to nine cycles.
Microstructure Evolution and Mechanical Properties of Underwater Dry and Local Dry Cavity Welded Joints of 690 MPa Grade High Strength Steel
Authors: Shi Yonghua , Sun Kun , Cui Shuwan , Zeng Min , Yi Jianglong , Shen Xiaoqin , Yi Yaoyong
Published: January 2018

Q690E high strength low alloy (HSLA) steel plays an important role in offshore structures. In addition, underwater local cavity welding (ULCW) technique was widely used to repair important offshore constructions. However, the high cooling rate of ULCW joints results in bad welding quality compared with underwater dry welding (UDW) joints. Q690E high strength low alloy steels were welded by multi-pass UDW and ULCW techniques, to study the microstructural evolution and mechanical properties of underwater welded joints. The microstructure and fracture morphology of welded joints were observed by scanning electron microscope and optical microscope. The elemental distribution in the microstructure was determined with an Electron Probe Microanalyzer. The results indicated that the microstructure of both two welded joints was similar. However, martensite and martensite-austenite components were significantly different with different underwater welding methods such that the micro-hardness of the HAZ and FZ in the ULCW specimen was higher than that of the corresponding regions in UDW joint. The yield strength and ultimate tensile strength of the ULCW specimen are 109 MPa lower and 77 MPa lower, respectively, than those of the UDW joint. The impact toughness of the UDW joint was superior to those of the ULCW joint.
One-Step Preparation of Large Area Films of Oriented MoS2 Nanoparticles on Multilayer Graphene and Its Electrocatalytic Activity for Hydrogen Evolution
Authors: He Jinbao , Fernández Cristina , Primo Ana , Garcia Hermenegildo
Published: January 2018

MoS2 is a promising material to replace Pt-based catalysts for the hydrogen evolution reaction (HER), due to its excellent stability and high activity. In this work, MoS2 nanoparticles supported on graphitic carbon (about 20 nm) with a preferential 002 facet orientation have been prepared by pyrolysis of alginic acid films on quartz containing adsorbed (NH4)2MoS4 at 900 °C under Ar atmosphere. Although some variation of the electrocatalytic activity has been observed from batch to batch, the MoS2 sample exhibited activity for HER (a potential onset between 0.2 and 0.3 V vs. SCE), depending on the concentrations of (NH4)2MoS4 precursor used in the preparation process. The loading and particle size of MoS2, which correlate with the amount of exposed active sites in the sample, are the main factors influencing the electrocatalytic activity.
Effect of Aspect Ratio on the Permittivity of Graphite Fiber in Microwave Heating
Authors: Fukushima Jun , Tsubaki Shuntaro , Matsuzawa Tomoki , Kashimura Keiichiro , Mitani Tomohiko , Namioka Tomoaki , Fujii Satoshi , Shinohara Naoki , Takizawa Hirotsugu , Wada Yuji
Published: January 2018

Microwave (MW) heating has received attention as a new heating source for various industrial processes. Some materials are expected to be a more effective absorber of MW, and graphite is observed as a possible candidate for high-temperature application. We investigated the dependence of the aspect ratio of graphite fibers on both their heating behavior and permittivity under a 2.45 GHz MW electric field. In these experiments, both loss tangent and MW heating behavior indicated that the MW absorption of conductive fibers increases with their aspect ratio. The MW absorption was found to be well accounted for by the application of a spheroidal model for a single fiber. The absorption of graphite fibers decreases with increasing aspect ratio when the long axis of the ellipsoid is perpendicular to the electric field, whereas it increases with the aspect ratio when the long axis is parallel to the electric field. The analytical model indicated that MW heating of the conductive fibers is expected to depend on both the shape and arrangement of the fibers in the electric field.
Electrochemical Behaviour and Galvanic Effects of Titanium Implants Coupled to Metallic Suprastructures in Artificial Saliva
Authors: Mellado-Valero Ana , Muñoz Anna , Pina Virginia , Sola-Ruiz Ma
Published: January 2018

The aim of the present study is to analyze the electrochemical behavior of five different dental alloys: two cobalt-chromium alloys (CoCr and CoCr-c), one nickel-chromium-titanium alloy (NiCrTi), one gold-palladium alloy (Au), and one titanium alloy (Ti6Al4V), and the galvanic effect when they are coupled to titanium implants (TiG2). It was carried out by electrochemical techniques (open circuit measurements, potentiodynamic curves and Zero-Resistance Ammetry) in artificial saliva (AS), with and without fluorides in different acidic conditions. The studied alloys are spontaneously passivated, but NiCrTi alloy has a very narrow passive domain and losses its passivity in presence of fluorides, so is not considered as a good option for implant superstructures. Variations of pH from 6.5 to 3 in artificial saliva do not change the electrochemical behavior of Ti, Ti6Al4V, and CoCr alloys, and couples, but when the pH of the artificial saliva is below 3.5 and the fluoride content is 1000 ppm Ti and Ti6Al4V starts actively dissolving, and CoCr-c superstructures coupled to Ti show acceleration of corrosion due to galvanic effects. Thus, NiCrTi is not recommended for implant superstructures because of risk of Ni ion release to the body, and fluorides should be avoided in acidic media because Ti, Ti6Al4V, and CoCr-c superstructures show galvanic corrosion. The best combinations are Ti/Ti6Al4V and Ti/CoCr as alternative of noble gold alloys.
The Enhanced Catalytic Performance and Stability of Rh/γ-Al2O3 Catalyst Synthesized by Atomic Layer Deposition (ALD) for Methane Dry Reforming
Authors: Li Yunlin , Jiang Jing , Zhu Chaosheng , Li Lili , Li Quanliang , Ding Yongjie , Yang Weijie
Published: January 2018

Rh/γ-Al2O3 catalysts were synthesized by both incipient wetness impregnation (IWI) and atomic layer deposition (ALD). The TEM images of the two catalysts showed that the catalyst from ALD had smaller particle size, and narrower size distribution. The surface chemical states of both catalysts were investigated by both XPS and X-ray Absorption Near Edge Structure (XANES), and the catalyst from IWI had higher concentration of Rh3+ than that from ALD. The catalytic performance of both catalysts was tested in the dry reforming of methane reaction. The catalyst from ALD showed a higher conversion and selectivity than that from IWI. The stability testing results indicated that the catalyst from ALD showed similar stability to that from IWI at 500 °C, but higher stability at 800 °C.
Fe-Doped Sol-Gel Glasses and Glass-Ceramics for Magnetic Hyperthermia
Authors: Baino Francesco , Fiume Elisa , Miola Marta , Leone Federica , Onida Barbara , Laviano Francesco , Gerbaldo Roberto , Verné Enrica
Published: January 2018

This work deals with the synthesis and characterization of novel Fe-containing sol-gel materials obtained by modifying the composition of a binary SiO2-CaO parent glass with the addition of Fe2O3. The effect of different processing conditions (calcination in air vs. argon flowing) on the formation of magnetic crystalline phases was investigated. The produced materials were analyzed from thermal (hot-stage microscopy, differential thermal analysis, and differential thermal calorimetry) and microstructural (X-ray diffraction) viewpoints to assess both the behavior upon heating and the development of crystalline phases. N2 adsorption–desorption measurements allowed determining that these materials have high surface area (40–120 m2/g) and mesoporous texture with mesopore size in the range of 18 to 30 nm. It was assessed that the magnetic properties can actually be tailored by controlling the Fe content and the environmental conditions (oxidant vs. inert atmosphere) during calcination. The glasses and glass-ceramics developed in this work show promise for applications in bone tissue healing which require the use of biocompatible magnetic implants able to elicit therapeutic actions, such as hyperthermia for bone cancer treatment.
Investigation on the Quality Factor Limit of the (111) Silicon Based Disk Resonator
Authors: Zhou Xin , Xiao Dingbang , Li Qingsong , Hu Qian , Hou Zhanqiang , He Kaixuan , Chen Zhihua , Zhao Chun , Wu Yulie , Wu Xuezhong , Seshia Ashwin
Published: January 2018

Quality factor is one of the most important parameters for a MEMS resonator. Most MEMS resonators are dominated by thermoelastic dissipation (TED). This paper demonstrates that the TED in a disk resonator that is made of (111) single-crystal silicon is surpassed by clamping loss. The stiffness-mass decoupling design method, combined with reducing the beam width, was used to engineer high QTED. Experiments show that Q of the (111) disk resonator have an upper boundary that is determined by the clamping loss caused by the unbalanced out-of-plane displacement. The origin of the out-of-plane displacement is explained by theory and simulation.
In Vivo Experimental Study of Noninvasive Insulin Microinjection through Hollow Si Microneedle Array
Authors: Resnik Drago , Možek Matej , Pečar Borut , Janež Andrej , Urbančič Vilma , Iliescu Ciprian , Vrtačnik Danilo
Published: January 2018

An experimental study of in vivo insulin delivery through microinjection by using hollow silicon microneedle array is presented. A case study was carried out on a healthy human subject in vivo to determine the influence of delivery parameters on drug transfer efficiency. As a microinjection device, a hollow microneedle array (13 × 13 mm2) having 100 microneedles (220 µm high, 130 µm-outer diameter and 50 µm-inner diameter) was designed and fabricated using classical microfabrication techniques. The efficiency of the delivery process was first characterized using methylene blue and a saline solution. Based on these results, the transfer efficiency was found to be predominantly limited by the inability of viable epidermis to absorb and allow higher drug transport toward the capillary-rich region. Two types of fast-acting insulin were used to provide evidence of efficient delivery by hollow MNA to a human subject. By performing blood analyses, infusion of more-concentrated insulin (200 IU/mL, international units (IU)) exhibited similar blood glucose level drop (5–7%) compared to insulin of standard concentration (100 IU/mL), however, significant increase of serum insulin (40–50%) with respect to the preinfusion values was determined. This was additionally confirmed by a distinctive increase of insulin to C-peptide ratio as compared to preinfusion ratio. Moreover, we noticed that this route of administration mimics a multiple dose regimen, able to get a “steady state” for insulin plasma concentration.
Investigating Potential Chromosomal Rearrangements during Laboratory Culture of Neisseria gonorrhoeae
Authors: Spencer-Smith Russell , Gould Simon , Pulijala Madhuri , Snyder Lori
Published: January 2018

Comparisons of genome sequence data between different strains and isolates of Neisseria spp., such as Neisseria gonorrhoeae, reveal that over the evolutionary history of these organisms, large scale chromosomal rearrangements have occurred. Factors within the genomes, such as repetitive sequences and prophage, are believed to have contributed to these observations. However, the timescale in which rearrangements occur is not clear, nor whether it might be expected for them to happen in the laboratory. In this study, N. gonorrhoeae was repeatedly passaged in the laboratory and assessed for large scale chromosomal rearrangements. Using gonococcal strain NCCP11945, for which there is a complete genome sequence, cultures were passaged for eight weeks in the laboratory. The resulting genomic DNA was assessed using Pulsed Field Gel Electrophoresis, comparing the results to the predicted results from the genome sequence data. Three cultures generated Pulsed Field Gel Electrophoresis patterns that varied from the genomic data and were further investigated for potential chromosomal rearrangements.
Thermal Stability of Woolly Erionite-K and Considerations about the Heat-Induced Behaviour of the Erionite Group
Authors: Ballirano Paolo , Pacella Alessandro , Bloise Andrea , Giordani Matteo , Mattioli Michele
Published: January 2018

The thermal behavior of a woolly erionite-K sample (Lander County, NV, USA), chemical formula (Ca2.03Na0.73K2.52Mg0.26)[Al8.22Si27.78O71.80]·35.94H2O, was investigated in the 303–1173 K thermal range by in situ X-ray powder diffraction. Present data suggest a general thermally-induced volume contraction whose magnitude increases as S i S i + A l ratio becomes smaller. An inverse correlation between S i S i + A l ratio and Tdehydr is observed because higher S i S i + A l ratio values are associated to lower dehydration temperatures. A positive dependence exists between S i S i + A l ratio and Tbreak. A higher Si content results in a greater thermal stability, in agreement with the general trend observed in zeolites. On the contrary, no correlation has been found between Tbreak and weighted ionic potential (Z/r)wt as suggested by reference data. Heating produces a general depletion of the Ca1, Ca2, Ca3, and K1 sites, which is counterbalanced by an increase of the K2 site scattering, even though the latter is not populated at RT. No “internal ion exchange” mechanism was apparently acting in the present sample differently from other erionite samples analysed in the past. At 303 K approximately 20 e− allocated at the OW H2O sites might be assigned to (extra-framework) EF cations. Such fraction increases due to their migration from the extra-framework cation sites following the same mechanism reported in reference data.
Anionic Water Cluster Polymers [(H2O)18(OH)2]n2n− Is Stabilized by Bis(2,2′-bipyridine) Cupric Chloride [Cu(bipy)2Cl]−
Authors: Liu E , Jian Fangfang
Published: January 2018

Anionic water clusters have long been studied to infer properties of the bulk hydrated electron. In particular, the question of whether the excess electron is on the surface of the cluster or in the interior of the clusters has been the subject of much speculation. The successes of solid-state physics are built on exploiting the regularity of atomic arrangements in crystal. Describing the crystalline order of solids is relatively straightforward. Here we report the crystal structure of an anionic water cluster polymer [(H2O)18(OH)2]n2n− moiety that is stabilized by bis(2,2′-bipyridine) cupric chloride [Cu(bipy)2Cl]− host.
icMRCI+Q Study of the Spectroscopic Properties of the 14 Λ-S and 49 Ω States of the SiN− Anion in the Gas Phase
Authors: Xing Wei , Sun Jinfeng , Shi Deheng , Zhu Zunlue
Published: January 2018

This paper calculates the potential energy curves of the 14 Λ-S and 49 Ω states, which come from the first three dissociation channels of the SiN− anion. These calculations are conducted using the valence internally contracted multireference configuration interaction and the Davidson correction approach. Core-valence correlation and scalar relativistic corrections are taken into account. The potential energies are extrapolated to the complete basis set limit. The spin-orbit coupling is computed using the state interaction approach with the Breit–Pauli Hamiltonian. We found that the X1Σ+ (υ′′ = 0–23) and a3Σ+ (υ′ = 0–2) states of SiN− are stable at the computed adiabatic electron affinity value of 23,262.27 cm−1 for SiN. Based on the calculated potential energy curves, the spectroscopic parameters and vibrational levels were determined for all stable and metastable Λ-S and Ω states. The computed adiabatic electron affinity of SiN and the spectroscopic constants of SiN− (X1Σ+) are all in agreement with the available experimental data. The d3Σ+, 25Σ+, 15Δ, and 15Σ− quasi-bound states caused by avoided crossings were found. Calculations of the transition dipole moment of a3Σ+1 to X1Σ+0+ are shown. Franck-Condon factors, Einstein coefficients, and radiative lifetimes of the transition from the a3Σ+1 (υ′ = 0–2) to the X1Σ+0+ state are evaluated.
Single, 14-Day, and 13-Week Repeated Dose Toxicity Studies of Daily Oral Gelidium elegans Extract Administration to Rats
Authors: Choi Jia , Ryu Su-Jung , Kim Kui-Jin , Kim Hyung-Min , Chung Hee-Chul , Lee Boo-Yong
Published: January 2018

Gelidium elegans extract (GEE) is derived from a red alga from the Asia–Pacific region, which has antioxidant, anti-adipogenic, and anti-hyperglycemic effects. However, detailed studies of the toxicology of GEE have not been performed. We evaluated the single oral dose toxicity of GEE in male and female Sprague-Dawley (CD) rats. GEE did not cause deaths or have toxic effects at dosages of 5000 mg/kg/day, although compound-colored stools and diarrhea were observed in both sexes, which lasted <2 days. Therefore, the LD50 of GEE is likely to be >5000 mg/kg. We next evaluated the repeated oral dose toxicity of GEE in CD rats over 14 days and 13 weeks. GEE did not induce any significant toxicological changes in either sex at 2000 mg/kg/day. Repeated oral dose toxicity studies showed no adverse effects, in terms of clinical signs, mortality, body mass, food consumption, ophthalmic examination, urinalysis, hematology, serum biochemistry, necropsy, organ masses, or histopathology, at dosages of 500, 1000, or 2000 mg/kg/day. The no observed adverse effect level (NOAEL) for GEE is thus likely to be >2000 mg/kg/day, and no pathology was identified in potential target organs. Therefore, this study indicates that repeated oral dosing with GEE is safe in CD rats.
Modifications in the Consumption of Energy, Sugar, and Saturated Fat among the Mexican Adult Population: Simulation of the Effect When Replacing Processed Foods that Comply with a Front of Package Labeling System
Authors: Mendoza Rosario , Tolentino-Mayo Lizbeth , Hernández-Barrera Lucia , Nieto Claudia , Monterrubio-Flores Eric , Barquera Simón
Published: January 2018

A Mexican Committee of Nutrition Experts (MCNE) from the National Institute of Public Health (INSP), free from conflict of interest, established food content standards to place the front-of-package (FOP) logo on foods that meet these nutrition criteria. The objectives were to simulate the effect on nutrient intake in the Mexican adult population (20–59 years old) after replacing commonly consumed processed foods with those that meet the FOP nutrition-labeling criteria. Twenty-four hour dietary recalls were collected from the 2012 Mexican National Health and Nutrition Survey (n = 2164 adults). A food database from the INSP was used. Weighted medians and 25–75 inter-quartile ranges (IQR) of energy and nutrient intake were calculated for all subjects by sociodemographic characteristics before and after replacing foods. Significant decreases were observed in energy (−5.4%), saturated fatty acids (−18.9%), trans-fatty acids (−20%), total sugar (−36.8%) and sodium (−10.7%) intake and a significant increase in fiber intake (+15.5%) after replacing foods, using the MCNE nutrition criteria. Replacing commonly consumed processed foods in the diet with foods that meet the FOP nutrition-labeling criteria set by the MCNE can lead to improvements in energy and nutrient intake in the Mexican adult population.
Pharmacy Practice and Education in Latvia
Authors: Muceniece Ruta , Riekstina Una , Maurina Baiba , Enina Vija , Atkinson Jeffrey
Published: January 2018

The PHARMINE (“Pharmacy Education in Europe”) project studied the organisation of pharmacy practice and education in the member states of the European Union (EU). The work was carried out using an electronic survey sent to chosen pharmacy representatives. The surveys of the individual member states are now being published as reference documents. This paper presents the results of the PHARMINE survey on pharmacy practice and education in Latvia. In the light of this, we examine the harmonisation of practice and education in Latvia with EU norms.
High Throughput AOTF Hyperspectral Imager for Randomly Polarized Light
Authors: Abdlaty Ramy , Orepoulos John , Sinclair Peter , Berman Richard , Fang Qiyin
Published: January 2018

The acousto-optic tunable filter (AOTF) is one of the most used techniques for hyperspectral imaging (HSI), and is capable of fast and random wavelength access, high diffraction efficiency, and good spectral resolution. Typical AOTF-HSI works with linearly polarized light; hence, its throughput is limited for randomly polarized applications such as fluorescence imaging. We report an AOTF-based imager design using both polarized components of the input light. The imager is designed to operate in the 450 to 800 nm region with resolutions in the range of 1.5–4 nm. The performance characterization results show that this design leads to 68% improvement in throughput for randomly polarized light. We also compared its performance against a liquid crystal tunable filter (LCTF)-based imager.
Thermo-Responsive Starch-g-(PAM-co-PNIPAM): Controlled Synthesis and Effect of Molecular Components on Solution Rheology
Authors: Fan Yifei , Boulif Nadia , Picchioni Francesco
Published: January 2018

A series of highly branched random copolymers of acrylamide (AM) and N-isopropylacrylamide (NIPAM) have been prepared from a waxy potato starch-based macroinitiator by aqueous Cu0-mediated living radical polymerization (Cu0-mediated LRP). The NIPAM intake in the copolymer was varied between 0% and 50 mol % to evaluate the influence of chain composition on the aqueous rheological properties as well as their low critical solution temperature (LCST). The viscosity of the copolymer was found to increase with the NIPAM intake and an LCST can be observed when the NIPAM content is high enough (e.g., 50 mol %). In addition, thermo-thickening behavior was observed at a low shear rate (γ ≤ 10 s−1) and higher NIPAM content was found to shift the onset of thermo-thickening behavior to a lower temperature. However, the absolute increase in viscosity values is reduced with the NIPAM intake. Besides this, an interesting significant thermo-thickening behavior was also observed on highly branched starch-g-polyacrylamide at high temperatures (>80 °C), which has not been previously reported. Rheology tests also revealed a good salt-resistant property in copolymers with low NIPAM content (e.g., <25 mol %). Considering the viscosity profile in saline as compared to that in pure water, this NIPAM intake seems to represent an optimum balance of viscosity and salt-resistance performance.
Aggregation of Cationic Amphiphilic Block and Random Copoly(vinyl ether)s with Antimicrobial Activity
Authors: Oda Yukari , Yasuhara Kazuma , Kanaoka Shokyoku , Sato Takahiro , Aoshima Sadahito , Kuroda Kenichi
Published: January 2018

In this study, we investigated the aggregation behaviors of amphiphilic poly(vinyl ether)s with antimicrobial activity. We synthesized a di-block poly(vinyl ether), B3826, composed of cationic primary amine and hydrophobic isobutyl (iBu) side chains, which previously showed antimicrobial activity against Escherichia coli. B3826 showed similar uptake behaviors as those for a hydrophobic fluorescent dye, 1,6-diphenyl-1,3,5-hexatriene, to counterpart polymers including homopolymer H44 and random copolymer R4025, indicating that the iBu block does not form strong hydrophobic domains. The cryo-TEM observations also indicated that the polymer aggregate of B3826 appears to have low-density polymer chains without any defined microscopic structures. We speculate that B3826 formed large aggregates by liquid-liquid separation due to the weak association of polymer chains. The fluorescence microscopy images showed that B3826 bonds to E. coli cell surfaces, and these bacterial cells were stained by propidium iodide, indicating that the cell membranes were significantly damaged. The results suggest that block copolymers may provide a new platform to design and develop antimicrobial materials that can utilize assembled structures and properties.
Temperature Scanning Stress Relaxation of an Autonomous Self-Healing Elastomer Containing Non-Covalent Reversible Network Junctions
Authors: Das Amit , Sallat Aladdin , Böhme Frank , Sarlin Essi , Vuorinen Jyrki , Vennemann Norbert , Heinrich Gert , Stöckelhuber Klaus
Published: January 2018

In this work, we report about the mechanical relaxation characteristics of an intrinsically self-healable imidazole modified commercial rubber. This kind of self-healing rubber was prepared by melt mixing of 1-butyl imidazole with bromo-butyl rubber (bromine modified isoprene-isobutylene copolymer, BIIR). By this melt mixing process, the reactive allylic bromine of bromo-butyl rubber was converted into imidazole bromide salt. The resulting development of an ionic character to the polymer backbone leads to an ionic association of the groups which ultimately results to the formation of a network structure of the rubber chains. The modified BIIR thus behaves like a robust crosslinked rubber and shows unusual self-healing properties. The non-covalent reversible network has been studied in detail with respect to stress relaxation experiments, scanning electron microscopic and X-ray scattering.
Toughening of Poly(lactic acid) and Thermoplastic Cassava Starch Reactive Blends Using Graphene Nanoplatelets
Authors: Bher Anibal , Uysal Unalan Ilke , Auras Rafael , Rubino Maria , Schvezov Carlos
Published: January 2018

Poly(lactic acid) (PLA) was reactively blended with thermoplastic cassava starch (TPCS) and functionalized with commercial graphene (GRH) nanoplatelets in a twin-screw extruder, and films were produced by cast-film extrusion. Reactive compatibilization between PLA and TPCS phases was reached by introducing maleic anhydride and a peroxide radical during the reactive blending extrusion process. Films with improved elongation at break and toughness for neat PLA and PLA-g-TPCS reactive blends were obtained by an addition of GRH nanoplatelets. Toughness of the PLA-g-TPCS-GRH was improved by ~900% and ~500% when compared to neat PLA and PLA-g-TPCS, respectively. Crack bridging was established as the primary mechanism responsible for the improvement in the mechanical properties of PLA and PLA-g-TPCS in the presence of the nanofiller due to the high aspect ratio of GRH. Scanning electron microscopy images showed a non-uniform distribution of GRH nanoplatelets in the matrix. Transmittance of the reactive blend films decreased due to the TPCS phase. Values obtained for the reactive blends showed ~20% transmittance. PLA-GRH and PLA-g-TPCS-GRH showed a reduction of the oxygen permeability coefficient with respect to PLA of around 35% and 50%, respectively. Thermal properties, molecular structure, surface roughness, XRD pattern, electrical resistivity, and color of the films were also evaluated. Biobased and compostable reactive blend films of PLA-g-TPCS compounded with GRH nanoplatelets could be suitable for food packaging and agricultural applications.
Novel Antibacterial Polyglycidols: Relationship between Structure and Properties
Authors: Marquardt Fabian , Stöcker Cornelia , Gartzen Rita , Heine Elisabeth , Keul Helmut , Möller Martin
Published: January 2018

Antimicrobial polymers are an attractive alternative to low molecular weight biocides, because they are non-volatile, chemically stable, and can be used as non-releasing additives. Polymers with pendant quaternary ammonium groups and hydrophobic chains exhibit antimicrobial properties due to the electrostatic interaction between polymer and cell wall, and the membrane disruptive capabilities of the hydrophobic moiety. Herein, the synthesis of cationic–hydrophobic polyglycidols with varying structures by post-polymerization modification is presented. The antimicrobial properties of the prepared polyglycidols against E. coli and S. aureus are examined. Polyglycidol with statistically distributed cationic and hydrophobic groups (cationic–hydrophobic balance of 1:1) is compared to (i) polyglycidol with a hydrophilic modification at the cationic functionality; (ii) polyglycidol with both—cationic and hydrophobic groups—at every repeating unit; and (iii) polyglycidol with a cationic–hydrophobic balance of 1:2. A relationship between structure and properties is presented.
Synthesis of Molecularly Imprinted Cryogels to Deplete Abundant Proteins from Bovine Serum
Authors: Yang Chun , Zhang Yan , Cao Wei-Qin , Ji Xiao-Feng , Wang Jian , Yan Ya-Nan , Zhong Tao-Lin , Wang Yu
Published: January 2018

Molecularly imprinted polyacrylamide cryogels were synthesized with pending templates (bovine serums of different concentrations). As the serum concentrations increased in the monomer solutions, the resulting cryogels could adsorb and deplete more proteins from serum samples. Due to the addition of vinyltriethoxysilane (VTEOS) in the prepolymerizing solutions, the polymers came as organic–inorganic hybrid materials. It endued the silica-modified amphoteric polyacrylamide cryogels with improved mechanical strengths. Scanning electron micrography (SEM), Infrared (IR) spectrometry, thermogravimetry-differential thermal analysis (TG-DTA), and X-ray photoelectron spectroscopy (XPS) were carried out to characterize these macroporous polymers. Amphoteric cryogels proved to be favorable materials recognizing and binding proteins. When used as liquid chromatography stationary phases, they were capable of simultaneously adsorbing various serum proteins. Electrophoresis showed that abundant proteins were gradually depleted by the cryogels prepared from increased ratios of bovine serums in the monomer solutions. As abundant proteins are always imprinted first, this sample per se imprinting method provides an effective and convenient way to deplete abundant proteins from complex samples such as serums, meanwhile concentrating and collecting scarce species therein.
Temperature-Responsive Polymer Microgel-Gold Nanorods Composite Particles: Physicochemical Characterization and Cytocompatibility
Authors: Khan Aslam , Khan Tajdar , Ahamed Maqusood , El-Toni Ahmed , Aldalbahi Ali , Alam Javed , Ahamad Tansir
Published: January 2018

In this paper, we report an easy route for preparing new metal nanorod-polymer composites consisting of gold nanorods, Au NRs, and temperature responsive copolymer “microgel” particles. The microgel particles of ~200 nm in size, which contain carboxylic acid groups, were prepared by surfactant-free emulsion polymerization of a selected mixture made of N-isopropylacylamide and acrylic acid in the presence of a cross-linker N,N′-methylenebisacrylamide. The electrostatic interactions between the cationic cetyltrimethylammonium bromide (CTAB) stabilized Au NRs and anionic microgel particles were expected to occur in order to prepare stable Au NRs-microgel composite particles. The optical and structural characterization of the composite was achieved using UV-Vis spectroscopy, Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM) and dynamic light scattering (DLS). TEM image shows that Au NRs are attached on the surface of the microgel particles. Dynamic light scattering measurements prove that the composite particles are temperature responsive, which means the particles undergo a decrease in size as the temperature increases above its phase transition temperature. In vitro cytotoxicity of the composite materials were tested by 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT), Lactate dehydrogenase (LDH), and hemolysis assay, which showed non-toxicity (biocompatibility).
A Combined Self-Consistent Method to Estimate the Effective Properties of Polypropylene/Calcium Carbonate Composites
Authors: Xiong Zhongqiang , Lu Shaorong , Liu Junkun , Lv Guangsheng , Li Yuqi , Yu Jinhong
Published: January 2018

In this work, trying to avoid difficulty of application due to the irregular filler shapes in experiments, self-consistent and differential self-consistent methods were combined to obtain a decoupled equation. The combined method suggests a tenor γ independent of filler-contents being an important connection between high and low filler-contents. On one hand, the constant parameter can be calculated by Eshelby’s inclusion theory or the Mori–Tanaka method to predict effective properties of composites coinciding with its hypothesis. On the other hand, the parameter can be calculated with several experimental results to estimate the effective properties of prepared composites of other different contents. In addition, an evaluation index σ f ′ of the interactional strength between matrix and fillers is proposed based on experiments. In experiments, a hyper-dispersant was synthesized to prepare polypropylene/calcium carbonate (PP/CaCO3) composites up to 70 wt % of filler-content with dispersion, whose dosage was only 5 wt % of the CaCO3 contents. Based on several verifications, it is hoped that the combined self-consistent method is valid for other two-phase composites in experiments with the same application progress as in this work.
Designing High-Refractive Index Polymers Using Materials Informatics
Authors: Venkatraman Vishwesh , Alsberg Bjørn
Published: January 2018

A machine learning strategy is presented for the rapid discovery of new polymeric materials satisfying multiple desirable properties. Of particular interest is the design of high refractive index polymers. Our in silico approach employs a series of quantitative structure–property relationship models that facilitate rapid virtual screening of polymers based on relevant properties such as the refractive index, glass transition and thermal decomposition temperatures, and solubility in standard solvents. Exploration of the chemical space is carried out using an evolutionary algorithm that assembles synthetically tractable monomers from a database of existing fragments. Selected monomer structures that were further evaluated using density functional theory calculations agree well with model predictions.
Magnetically Tunable Vibration Transmissibility for Polyurethane Magnetic Elastomers
Authors: Endo Hiroyuki , Kato Shunsuke , Watanebe Mayuko , Kikuchi Takehito , Kawai Mika , Mitsumata Tetsu
Published: January 2018

The effect of a weak magnetic field on vibration transmissibility was investigated for magnetic elastomers with various volume fractions of magnetic particles. Polyurethane elastomers without magnetic particles exhibited a natural frequency at 53 Hz and were insensitive to a magnetic field of 60 mT. The natural frequency for magnetic elastomers with a volume fraction of 0.23 was 115 Hz at 0 mT, and increased to 134 Hz at 60 mT. The vibration transmissibility was independent of the magnetic field. A linear relation between the natural frequency and (G/m)1/2 was observed (G: storage modulus, m: mass), indicating that the observed vibration is basically described by a simple harmonic oscillation.