bluuebunny/crossref_metadata_2025 huggingface dataset:
Removal of cobalt ions from aqueous solutions by using poly(N,N‐dimethylaminopropyl methacrylamide/itaconic acid) hydrogels
Authors: Baş Nalan , Yakar Arzu , Bayramgil Nursel Pekel
Published: June 2013

In this study, N,N‐dimethylaminopropyl methacrylamide (DMAPMAm) homopolymer and DMAPMAm/itaconic acid (DMAPMAm/IA) copolymers were obtained from 60Co‐γ radiation polymerization. Gel fraction and percentage of swelling values were calculated through gravimetrical calculations. In order to increase the swelling of the hydrogel, the amount of IA in initial copolymer composition was gradually increased, but it was observed that gelation values were low. The structural and morphological assessments of homopolymer and copolymers were made by means of several techniques including Fourier Transform Infrared Spectroscopy (FT‐IR), Scanning Electron Microscopy (SEM), and Energy‐Dispersive X‐ray Spectroscopy (EDS). The cobalt ion (Co2+) removal capacities of hydrogel were investigated by taking into account of the initial metal ion concentration and pH of aqueous medium. When it came to the maximum capacity of values obtained from adsorption experiments by using Co2+ solutions at pH 5, they changed between 220 and 245 mg Co2+/g dry hydrogel. FT‐IR, SEM, EDS, and XRD analyses were carried out for enlightening the mechanism of Co2+ removal by hydrogels after the completion of adsorption. Also, desorption studies were conducted using ethylenediaminetetraacetic acid (EDTA). Finally, within approximately 5 days, all adsorbed Co2+ ions were released from hydrogels at pH 5 using 0.1M EDTA solution. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 39569.
Behçet's Disease and Pregnancy
Authors: Noel Nicolas , Wechsler Bertrand , Nizard Jacky , Costedoat‐Chalumeau Nathalie , Boutin Du Le Thi Huong , Dommergues Marc , Vauthier‐Brouzes Danièle , Cacoub Patrice , Saadoun David
Published: June 2013

Objective

To describe the interplay between Behçet's disease (BD) and pregnancy.

Methods

This retrospective study included 76 pregnancies in 46 patients fulfilling the international criteria for BD. The median age of the patients at the time of entry into the study was 28.4 years (interquartile range 22.8–30.9 years). Patients were used as their own historical controls to assess the incidence of BD flares during pregnancy and before or after pregnancy. Factors associated with the occurrence of complications during pregnancy were assessed.

Results

Among the 76 pregnancies with BD analyzed, 27 (35.5%) were associated with worsening of the symptoms of BD flare; oral and genital ulcerations (78.4% and 67.6%, respectively) as well as ocular complications (32.4%) were the most frequent. The mean ± SD annual rates of BD flares were 0.49 ± 0.72 during pregnancy and 1.46 ± 2.42 during the nonobstetric period (P = 0.018). The proportion of BD flares tended to be lower in patients treated with colchicine (27.9% versus 45.4% of patients not treated with colchicine; P = 0.11). The overall rate of complications during pregnancy was 15.8%. The complications included miscarriage (5 patients), cesarean delivery (3 patients), medical termination of pregnancy (2 patients), hemolysis, elevated liver enzymes, and low platelets syndrome (1 patient), and immune thrombocytopenia (1 patient). There was a statistically significant association between a history of deep vein thrombosis in BD and the risk of obstetric complications (odds ratio 7.25, 95% confidence interval 1.21–43.46, P = 0.029). Neither gestational age at delivery nor neonatal outcome was influenced by BD.

Conclusion

The disease course in BD seems to improve during pregnancy, mostly in patients who are treated with colchicine. Pregnancy in patients with BD appears not to be associated with an increased rate of pregnancy‐related complications.
KRN633, an Inhibitor of Vascular Endothelial Growth Factor Receptor Tyrosine Kinase, Induces Intrauterine Growth Restriction in Mice
Authors: Abe Naomichi , Nakahara Tsutomu , Morita Akane , Wada Yoshiko , Mori Asami , Sakamoto Kenji , Nagamitsu Tohru , Ishii Kunio
Published: June 2013

We previously reported that treatment with KRN633, a vascular endothelial growth factor receptor tyrosine kinase inhibitor, during mid‐pregnancy caused intrauterine growth restriction resulting from impairment of blood vessel growth in the labyrinthine zone of the placenta and fetal organs. However, the relative sensitivities of blood vessels in the placenta and fetal organs to vascular endothelial growth factor (VEGF) inhibitors have not been determined. In this study, we aimed to examine the effects of KRN633 on the vasculatures of organs in mother mice and their newborn pups by immunohistochemical analysis. Pregnant mice were treated daily with KRN633 (5 mg/kg) either from embryonic day 13.5 (E13.5) to E17.5 or from E13.5 to the day of delivery. The weights of the pups of KRN633‐treated mice were lower than those of the pups of vehicle‐treated mothers. However, no significant difference in body weight was observed between the vehicle‐ and KRN633‐treated mice. The vascular development in the organs (the pancreas, kidney, and intestine) and intestinal lymphatic formation of the pups of KRN633‐treated mothers was markedly impaired. In contrast, the KRN633 treatment showed no significant effect on the vascular beds in the organs, including the labyrinthine zone of the placenta, of the mother mice. These results suggest that blood vessels in fetal organs are likely to be more sensitive to reduced VEGF signaling than those in the mother. A partial loss of VEGF function during pregnancy could suppress vascular growth in the fetus without affecting the vasculature in the mother mouse, thereby increasing the risk of intrauterine growth restriction.
Chameleon: online learning for believable behaviors based on humans imitation in computer games
Authors: Tence F. , Gaubert L. , Soler J. , De Loor P. , Buche C.
Published: June 2013

In some video games, humans and computer programs can play together, each one controlling a virtual humanoid. These computer programs usually aim at replacing missing human players; however, they partially miss their goal, as they can be easily spotted by players as being artificial. Our objective is to find a method to create programs whose behaviors cannot be told apart from players when observed playing the game. We call this kind of behavior abelievable behavior. To achieve this goal, we choose models using Markov chains to generate the behaviors by imitation. Such models use probability distributions to find which decision to choose depending on the perceptions of the virtual humanoid. Then, actions are chosen depending on the perceptions and the decision. We propose a new model, calledChameleon, to enhance expressiveness and the associated imitation learning algorithm. We first organize the sensors and motors by semantic refinement and add a focus mechanism in order to improve the believability. Then, we integrate an algorithm to learn the topology of the environment that tries to best represent the use of the environment by the players. Finally, we propose an algorithm to learn parameters of the decision model. Copyright © 2013 John Wiley & Sons, Ltd.
Occurrence of Fatty Acid Short‐Chain‐Alkyl Esters in Fruits of Celastraceae Plants
Authors: Sidorov Roman A. , Zhukov Anatoly V. , Pchelkin Vasily P. , Vereshchagin Andrei G. , Tsydendambaev Vladimir D.
Published: June 2013

Small amounts of a mixture of fatty acid short‐chain‐alkyl esters (FASCAEs) were obtained from the fruits of twelve plant species of Celastraceae family, and in five of them the FASCAEs were present not only in the arils but also in the seeds. These mixtures contained 32 individual FASCAE species, which formed four separate fractions, viz. FA methyl, ethyl, isopropyl, and butyl esters (FAMEs, FAEEs, FAIPEs, and FABEs, resp.). The FASCAE acyl components included the residues of 16 individual C14–C24 saturated, mono‐, di‐, and trienoic FAs. Linoleic, oleic, and palmitic acids, and, in some cases, also α‐linolenic acid predominated in FAMEs and FAEEs, while myristic acid was predominant in FAIPEs. It can be suggested that, in the fruit arils of some plant species, FAMEs and FAEEs were formed at the expense of a same FA pool characteristic of a given species and were strongly different from FAIPEs and FABEs esters regarding the mechanism of their biosynthesis. However, as a whole, the qualitative and quantitative composition of various FASCAE fractions, as well as their FA composition, varied considerably depending on various factors. Therefore, separate FASCAE fractions seem to be synthesized from different FA pools other than those used for triacylglycerol formation.
Development of Colorimetric HTS Assay of Cytochrome P450 for ortho‐Specific Hydroxylation, and Engineering of CYP102D1 with Enhanced Catalytic Activity and Regioselectivity
Authors: Choi Kwon‐Young , Jung Eun‐Ok , Yun Hyungdon , Yang Yung‐Hun , Kazlauskas Romas J. , Kim Byung‐Gee
Published: June 2013

A current challenge in high‐throughput screening (HTS) of hydroxylation reactions by P450 is a fast and sensitive assay for regioselective hydroxylation against millions of mutants. We have developed a solid‐agar plate‐based HTS assay for screening ortho‐specific hydroxylation of daidzein by sensing formaldehyde generated from the O‐dealkylation reaction. This method adopts a colorimetric dye, pararosaniline, which has previously been used as an aldehyde‐specific probe within cells. The rationale for this method lies in the fact that the hydroxylation activity at ortho‐carbon position to COH correlates with a linear relationship to O‐dealkylation activity on chemically introduced methoxy group at the corresponding COH. As a model system, a 4′,7‐dihydroxyisoflavone (daidzein) hydroxylase (CYP102D1 F96V/M246I), which catalyzes hydroxylation at ortho positions of the daidzein A/B‐ring, was examined for O‐dealklyation activity, by using permethylated daidzein as a surrogate substrate. By using the developed indirect bishydroxylation screening assay, the correlation coefficient between O‐dealkylation and bishydroxylation activity for the template enzyme was 0.72. For further application of this assay, saturation mutants at A273/G274/T277 were examined by mutant screening with a permethylated daidzein analogue substrate (A‐ring inactivated in order to find enhanced 3′‐regioselectiviy). The whole‐cell biotransformation of daidzein by final screened mutant G1 (A273H/G274E/T277G) showed fourfold increased conversion yield, with 14.3 mg L−1 production titer and greatly increased 3′‐regioselectiviy (3′/6=11.8). These results show that there is a remarkably high correlation (both in vitro and in vivo), thus suggesting that this assay would be ideal for a primary HTS assay for P450 reactions.
Sulfur Species in Graphene Oxide
Authors: Eigler Siegfried , Dotzer Christoph , Hof Ferdinand , Bauer Walter , Hirsch Andreas
Published: June 2013

The structure of graphene oxide (GO) is of crucial importance for its chemical functionalization. However, the sulfur content present in GO prepared by Hummers’ method has only been addressed by a few authors so far. It has been reported that hydrolysis of sulfur species takes place and that stable sulfonic groups are present in graphite oxide. In this manuscript, in contrast to earlier reports, sulfate species are identified that are covalently bound to GO and still present after extensive aqueous work‐up. Additionally, we exclude the possibility that sulfonic groups are present in GO as major species after aqueous work up. Our results are based on bulk characterization of graphene oxide by thermogravimetry and subsequent analysis of the decomposition products using mass spectroscopy and infrared spectroscopy. Up to now, the combustion temperature between 200 and 300 °C remained almost unaddressed. In a temperature dependant experiment we reveal two main decomposition steps that differ in temperature and that are closely related to the sulfur species in GO. While the decomposition, between 200 and 300 °C, is related to the degradation of organosulfate, the other one, between 700 and 800 °C, is assigned to the pyrolysis of inorganic sulfate. Furthermore, organosulfate is to some extent responsible for the reactivity of GO. Therefore, the structural model of GO was extended by adding organosulfate in addition to epoxy and hydroxyl groups, which are predominantly covalently bound above and below the carbon skeleton. Furthermore, the identification of organosulfate groups beneath epoxy groups makes new molecular architectures feasible and can be used to explain the properties of GO in various applications.
Tuning the Dipolar Second‐Order Nonlinear Optical Properties of Cyclometalated Platinum(II) Complexes with Tridentate N^C^N Binding Ligands
Authors: Rossi Ester , Colombo Alessia , Dragonetti Claudia , Righetto Stefania , Roberto Dominique , Ugo Renato , Valore Adriana , Williams J. A. Gareth , Lobello Maria Grazia , De Angelis Filippo , Fantacci Simona , Ledoux‐Rak Isabelle , Singh Anu , Zyss Joseph
Published: June 2013

Appropriate functionalization of the cyclometalated ligand, L, and the choice of the ancillary ligand, X, allows the dipolar second‐order nonlinear optical response of luminescent [PtLX] complexes—in which L is an N^C^N‐coordinated 1,3‐di(2‐pyridyl)benzene ligand and X is a monodentate halide or acetylide ligand—to be controlled. The complementary use of electric‐field‐induced second‐harmonic (EFISH) generation and harmonic light scattering (HLS) measurements demonstrates how the quadratic hyperpolarizability of this appealing family of multifunctional chromophores, characterized by a good transparency throughout much of the visible region, is dominated by an octupolar contribution.
The Structural Basis for Optimal Performance of Oligothiophene‐Based Fluorescent Amyloid Ligands: Conformational Flexibility is Essential for Spectral Assignment of a Diversity of Protein Aggregates
Authors: Klingstedt Therése , Shirani Hamid , Åslund K. O. Andreas , Cairns Nigel J. , Sigurdson Christina J. , Goedert Michel , Nilsson K. Peter R.
Published: June 2013

Protein misfolding diseases are characterized by deposition of protein aggregates, and optical ligands for molecular characterization of these disease‐associated structures are important for understanding their potential role in the pathogenesis of the disease. Luminescent conjugated oligothiophenes (LCOs) have proven useful for optical identification of a broader subset of disease‐associated protein aggregates than conventional ligands, such as thioflavin T and Congo red. Herein, the molecular requirements for achieving LCOs able to detect nonthioflavinophilic Aβ aggregates or non‐congophilic prion aggregates, as well as spectrally discriminate Aβ and tau aggregates, were investigated. An anionic pentameric LCO was subjected to chemical engineering by: 1) replacing thiophene units with selenophene or phenylene moieties, or 2) alternating the anionic substituents along the thiophene backbone. In addition, two asymmetric tetrameric ligands were generated. Overall, the results from this study identified conformational freedom and extended conjugation of the conjugated backbone as crucial determinants for obtaining superior thiophene‐based optical ligands for sensitive detection and spectral assignment of disease‐associated protein aggregates.
A New Chiral Residue Analysis Method for Triazole Fungicides in Water Using Dispersive Liquid‐Liquid Microextraction (DLLME)
Authors: Luo Mai , Liu Donghui , Zhou Zhiqiang , Wang Peng
Published: June 2013

A rapid, simple, reliable, and environment‐friendly method for the residue analysis of the enantiomers of four chiral fungicides including hexaconazole, triadimefon, tebuconazole, and penconazole in water samples was developed by dispersive liquid–liquid microextraction (DLLME) pretreatment followed by chiral high‐performance liquid chromatography (HPLC)‐DAD detection. The enantiomers were separated on a Chiralpak IC column by HPLC applying n‐hexane or petroleum ether as mobile phase and ethanol or isopropanol as modifier. The influences of mobile phase composition and temperature on the resolution were investigated and most of the enantiomers could be completely separated in 20 min under optimized conditions. The thermodynamic parameters indicated that the separation was enthalpy‐driven. The elution orders were detected by both circular dichroism detector (CD) and optical rotatory dispersion detector (ORD). Parameters affecting the DLLME performance for pretreatment of the chiral fungicides residue in water samples, such as the extraction and dispersive solvents and their volume, were studied and optimized. Under the optimum microextraction condition the enrichment factors were over 121 and the linearities were 30–1500 µg L−1 with the correlation coefficients (R2) over 0.9988 and the recoveries were between 88.7% and 103.7% at the spiking levels of 0.5, 0.25, and 0.05 mg L−1(for each enantiomer) with relative standard deviations varying from 1.38% to 6.70% (n = 6) The limits of detection (LODs) ranged from 8.5 to 29.0 µg L−1(S/N = 3). Chirality 25:567‐574, 2013. © 2013 Wiley Periodicals, Inc.
Distribution of particle velocity in a conical cylindrical spouted bed
Authors: Chen Xi , Ren Bing , Chen Yu , Zhong Wenqi , Chen Dailin , Lu Yong , Jin Baosheng
Published: June 2013

Investigations of particle velocities in a 200‐mm diameter conical cylindrical spouted bed were carried out. A direct measurement approach, coupled optical‐fibre endoscope with high‐speed photography, was used to determine the local velocity of glass bead and corn at various spouting velocities. The results showed that the radial particle velocity profiles when spouting of corns are similar to glass beads. The changes of particle velocities with increasing spouting gas velocity were more remarkable in the spout and fountain regions than in the annulus. The velocity of the glass beads is higher than the corns in the spout region, while they appear a reverse trend in the fountain region and annulus region at the same spouting velocity.
Prediction of minimum spouting velocity of spouted bed by CFD‐TFM: Scale‐up
Authors: Zhong Wenqi , Liu Xuejiao , Grace John R. , Epstein Norman , Ren Bing , Jin Baosheng
Published: June 2013

Numerical simulations based on a three‐dimensional (3D) Eulerian–Eulerian multiphase model (two‐fluid model, TFM) were carried out to study the minimum spouting velocities of scaled up spouted beds. The spouted bed with a diameter of 0.152 m from the experiments of He et al. was scaled up by factors from 2 to 8, resulting in diameters from 0.304 to 1.216 m. The effects of the static bed height, particle diameter, particle density and fluid inlet diameter on the minimum spouting velocity in different size beds were numerically investigated. A new empirical correlation is proposed for predicting the minimum spouting velocity in both small and large beds.
Osteocytes are not only mechanoreceptive cells
Authors: Rochefort Gaël Y. , Benhamou Claude‐Laurent
Published: June 2013

Osteocytes represent 95% of all bone cells. These cells are old osteoblasts occupying the lacunar space surrounded by the bone matrix. They possess cytoplasmic dendrites that form a canalicular network for communication between osteocytes and the bone surface. They have a mechanosensing role that is dependent upon the frequency, the intensity, and the duration of strain. The mechanical information transmitted into the cytoplasm also triggers a biological cascade, starting with nitric oxide and prostaglandin E 2 and followed by Wnt/ β‐catenin signaling. This information is transmitted to the bone surface through the canalicular network, particularly to the lining cells, and is able to trigger bone remodeling by directing the osteoblast activity and the osteoclastic resorption. Furthermore, the osteocyte death seems to play an important role. The outcome of microcracks in the vicinity of osteocytes may interrupt the canalicular network and trigger cell apoptosis in the immediate surrounding environment thus transmitting a message to the bone surface and activate remodeling. This network also plays a recognized endocrine role, particularly concerning phosphate regulation and vitamin D metabolism. Copyright © 2013 John Wiley & Sons, Ltd.
Color change of white spot lesions after resin infiltration
Authors: Bak So‐Yeon , Kim Young‐Jae , Hyun Hong‐Keun
Published: June 2013

This study evaluates color change of the enamel lesion before and after resin infiltration and after thermocycling (TC) in order to assess clinical usefulness of resin infiltrant in restoring esthetics of incipient enamel caries lesions. Twenty‐five healthy premolars were prepared and crown portions were vertically cut. Specimens were emerged in acryl blocks with relatively flat proximal surface facing outside. Specimens were put in decalcification solution (50 mM acetic acid solution, 3 mM CaCl2·H2O, 3 mM KH2PO4, 6 µM methylhydroxydiphosphonate, pH 4.95, 37°C), and were kept for 160 h, in order to make white spot lesions on the exposed enamel. Degree of decalcification was observed with microscope and nine specimens were excluded because of inadequate decalcification (n = 41). L*, a*, and b* were measured with colorimeter at the baseline (T1), after production of white spot lesions (T2), after infiltration of resin infiltrants (ICON®, DMG, Hamburg, Germany) (T3), after 3000 (T4), 6000 (T5), and 10,000 cycles (T6) of TC. L* was highest at T2, but significantly decreased until T6 which was the closest value to T1 (P < 0.05). a* was highest at T2 and decreased gradually until T6, whereas b* was lowest at T2 and was highest at T3 and decreased gradually until T6. Δ
less than 3.7 showed between T1 and T4, between T1 and T5, and between T1 and T6, which suggested that it was hard to differentiate one from the other clinically. Resin infiltrated lesions showed recovery of CIE value close to that of healthy enamel over time. © 2013 Wiley Periodicals, Inc. Col Res Appl, 39, 506–510, 2014
Avoiding Bias Effects in NMR Experiments for Heteronuclear Dipole–Dipole Coupling Determinations: Principles and Application to Organic Semiconductor Materials
Authors: Kurz Ricardo , Cobo Marcio Fernando , Ribeiro de Azevedo Eduardo , Sommer Michael , Wicklein André , Thelakkat Mukundan , Hempel Günter , Saalwächter Kay
Published: June 2013

Carbon–proton dipole–dipole couplings between bonded atoms represent a popular probe of molecular dynamics in soft materials or biomolecules. Their site‐resolved determination, for example, by using the popular DIPSHIFT experiment, can be challenged by spectral overlap with nonbonded carbon atoms. The problem can be solved by using very short cross‐polarization (CP) contact times, however, the measured modulation curves then deviate strongly from the theoretically predicted shape, which is caused by the dependence of the CP efficiency on the orientation of the CH vector, leading to an anisotropic magnetization distribution even for isotropic samples. Herein, we present a detailed demonstration and explanation of this problem, as well as providing a solution. We combine DIPSHIFT experiments with the rotor‐directed exchange of orientations (RODEO) method, and modifications of it, to redistribute the magnetization and obtain undistorted modulation curves. Our strategy is general in that it can also be applied to other types of experiments for heteronuclear dipole–dipole coupling determinations that rely on dipolar polarization transfer. It is demonstrated with perylene‐bisimide‐based organic semiconductor materials, as an example, in which measurements of dynamic order parameters reveal correlations of the molecular dynamics with the phase structure and functional properties.
A buffer‐aware fleet‐based cooperative H.264/SVC streaming over vehicular networks
Authors: Lee C‐H. , Huang C‐M. , Yang C‐C. , Tsai W‐P.
Published: June 2013

Because of of the characteristics of high mobility, time varying and dynamic topology, how to provide multimedia streaming service for connected vehicles becomes one emerging and popular technical research. The motivation of this paper is to utilize cooperation among neighboring vehicles for video streaming's quality improvement over vehicular networks. In the proposed cooperative streaming scenario, a connected vehicle requests a video stream from the Internet by using its 3G/3.5G interface, which may not have enough bandwidth to receive good quality of video. Thus, the vehicle is suggested to ask neighboring members belonging to the same fleet to download the requested video data by using their 3G/3.5G interfaces. Then, neighboring members should forward video data to the requested vehicle by using another wireless technique, for example, dedicated short range communication (DSRC). Regarding the differentiation between the two access networks, that is, 3G/3.5G network and DSRC network, a buffer‐aware scheduling mechanism based on layered streaming is designed in this paper to adapt to the networking situation of the vehicular networks. Two selection algorithms are proposed to select neighboring vehicles from the fleet. According to our simulation results, the 3G/3.5G‐based selection algorithm is suitable to improve video quality for vehicles at low speeds. On the other hand, the DSRC‐based selection algorithm can get better performance when vehicles move at high speeds or too many data are transmitted among vehicles.Copyright © 2013 John Wiley & Sons, Ltd.
MicroRNA‐132 suppresses autoimmune encephalomyelitis by inducing cholinergic anti‐inflammation: A new Ahr‐based exploration
Authors: Hamza Hanieh , Abdullah Alzahrani
Published: June 2013

MicroRNAs (miRNAs) are a small group of RNAs that are emerging as a new avenue by which autoimmune diseases may be modulated. Accumulating evidence shows that miRNAs are involved in the pathogenesis of MS; however, the interaction of miRNAs with environmentally responsive transcription factors that play prominent roles in MS is unexplored. The activation of aryl hydrocarbon receptor by 2,3,7,8‐tetrachlorodibenzo‐p‐dioxin (TCDD) alleviates inflammation in experimental autoimmune encephalomyelitis (EAE), the best available model of MS. Therefore, we predicted that TCDD could attenuate EAE by inducing miRNA(s) targeting inflammatory mediators. Here, we show that TCDD induces cholinergic anti‐inflammation in EAE mice by upregulating acetylcholinesterase‐targeting miR‐132. The expression of miR‐132 was downregulated in CD4+ cells and associated with EAE severity, while TCDD treatment attenuated EAE by inducing the miR‐132/acetylcholinesterase module. Silencing miR‐132 in vivo abolished TCDD‐induced cholinergic anti‐inflammation and aggravated EAE. Overexpression of miR‐132 in encephalitogenic CD4+ cells decreased IL‐17 and IFN‐γ and suppressed T‐cell proliferation. In conclusion, our findings identify a new miRNA‐based mechanism through which miR‐132 mediates TCDD‐induced EAE attenuation, suggesting that miR‐132 could be a promising therapeutic target for anti‐inflammatory treatment of MS.
Self‐Assembly of Four Helical Metal–Organic Frameworks Based on 3‐[4‐(Carboxymethoxy)phenyl]propanoic Acid Ligands: Syntheses, Crystal Structures, and Properties
Authors: Ji Jun , Zhang You , Yang Yuan‐Fa , Xu Hai , Wen Yi‐Hang
Published: June 2013

Four new helical metal–organic frameworks (MOFs), namely [ZnL(bpp)]n·4nH2O {1, H2L = 3‐[4‐(carboxymethoxy)phenyl]propanoic acid, bpp = 1,3‐di‐4‐pyridylpropane}, [CdL(bpp)]n (2), [CoL(bpp)(H2O)0.5]n (3), and [NiL(bpp)(H2O)0.5]n (4), have been synthesized and characterized. X‐ray crystallographic analyses show that 1 exhibits a 3D supramolecular framework, which is composed of 2D layers further linked by π–π stacking interactions. Compound 2 displays a 2D framework structure consisting of (Cd–L)n and (Cd–bpp)n double helices with right‐ or left‐handed helical chains, in which the right‐ and left‐handed homochiral layers are alternatively arrayed though π–π stacking interactions to finally form a racemic 3D structure. Compound 3 features a 3D architecture with right‐ and left‐handed helical chains, in which 1D (Co–bpp)n and 2D (Co–L)n achiral layers are observed. The structure of 4 is very similar to that of 3, and its most notable characteristic is the tetraflexural [Ni–L]n helical chains in the [010] plane. Compounds 1 and 2 exhibit strong violet and blue photoluminescence emissions, respectively. The magnetic properties for 3 and 4 have been investigated at 2–300 K, and they exhibit antiferromagnetic and ferromagnetic interactions, respectively.
Synthesis of Na2{trans‐[PdCl2(mTPPMS‐κP)2]}: Interaction with DNA and Reactivity with 8‐Thiotheophylline
Authors: Serrano‐Ruiz Manuel , Romerosa Antonio , García‐Maroto Federico
Published: June 2013

The new water‐soluble palladium(II) complexes Na2{trans‐[PdCl2(mTPPMS‐κP)2]} (1), (CN4H7)Na{trans‐[PdCl2(mTPPMS‐κP)2]} (2) and the 2D polymer trans‐{Pd‐μ‐[mTPPMS‐1κP:2κO‐Na1/2(H2O)]‐μ‐[mTPPMS‐1κP:2κO′‐Na′1/2(H2O)]‐μ‐[8TTH‐1κS:2κO6–Na1/2(H2O)]‐μ‐[8TTH‐1κS:2κO6‐Na′1/2(H2O)]}n (3) {mTPPMS = Ph2P[3‐OS(O)2C6H4]–; 8‐TTH = 8‐thiotheophyllinate} have been synthesized and characterised by NMR and IR spectroscopy as well as elemental analysis. The crystal structures of 2 and 3 were determined by X‐ray diffraction. The binding properties of the new hydrosoluble palladium complexes towards DNA were studied by the mobility shift assay, which showed that complex 1 is more active than cisplatin towards DNA.
Functionalized Gold Nanoparticles as an Approach to the Direct Colorimetric Detection of DCNP Nerve Agent Simulant
Authors: Martí Almudena , Costero Ana M. , Gaviña Pablo , Gil Salvador , Parra Margarita , Brotons‐Gisbert Mauro , Sánchez‐Royo Juan Francisco
Published: June 2013

New functionalized gold nanoparticles have been synthesized and their ability to act as colorimetric molecular probes for the naked‐eye detection of nerve agent simulant DCNP has been studied. The detection process is based on the compensation of charges at the surfaces of the functionalized AuNPs, which triggers their aggregation with the resulting change in the color of the solution.
From numbers to a biological sense: How the strategy chosen for metabolomics data treatment may affect final results. A practical example based on urine fingerprints obtained by LC‐MS
Authors: Godzien Joanna , Ciborowski Michal , Angulo Santiago , Barbas Coral
Published: June 2013

Application of high‐throughput technologies in metabolomics studies increases the quantity of data obtained, which in turn imposes several problems during data analysis. Correctly and clearly addressed biological question and comprehensive knowledge about data structure and properties are definitely necessary to select proper chemometric tools. However, there is a broad range of chemometric tools available for use with metabolomics data, which makes this choice challenging. Precisely performed data treatment enables valuable extraction of information and its proper interpretation. The effect of an error made at an early stage will be enhanced throughout the later stages, which in combination with other errors made at each step can accumulate and significantly affect the data interpretation. Moreover, adequate application of these tools may help not only to detect, but sometimes also to correct, biological, analytical, or methodological errors, which may affect truthfulness of obtained results. This report presents steps and tools used for LC‐MS based metabolomics data extraction, reduction, and visualization. Following such steps as data reprocessing, data pretreatment, data treatment, and data revision, authors want to show how to extract valuable information and how to avoid misinterpretation of results obtained. The purpose of this work was to emphasize problematic characteristics of metabolomics data and the necessity for their attentive and precise treatment. The dataset used to illustrate metabolomics data properties and to illustrate major data treatment challenges was obtained utilizing an animal model of control and diabetic rats, both with and without rosemary treatment. Urine samples were fingerprinted employing LC‐QTOF‐MS.
Stereospecific micellar electrokinetic chromatography assay of methionine sulfoxide reductase activity employing a multiple layer coated capillary
Authors: Zhu Qingfu , El‐Mergawy Rabab G. , Heinemann Stefan H. , Schönherr Roland , Jáč Pavel , Scriba Gerhard K. E.
Published: June 2013

A micellar electrokinetic chromatography method for the analysis of the l‐methionine sulfoxide diastereomers employing a successive multiple ionic‐polymer layer coated fused‐silica capillary was developed and validated in order to investigate the stereospecificity of methionine sulfoxide reductases. The capillary coating consisted of a first layer of hexadimethrine and a second layer of dextran sulfate providing a stable strong cathodic EOF and consequently highly repeatable analyte migration times. The methionine sulfoxide diastereomers, methionine as product as well as β‐alanine as internal standard were derivatized by dabsyl chloride and separated using a 35 mM sodium phosphate buffer, pH 8.0, containing 25 mM SDS as BGE and a separation voltage of 25 kV. The method was validated in the range of 0.15–2.0 mM with respect to linearity and precision. The LODs of the analytes ranged between 0.04 and 0.10 mM. The assay was subsequently applied to determine the stereospecificity of methionine sulfoxide reductases as well as the enzyme kinetics of human methionine sulfoxide reductase A. Monitoring the decrease of the l‐methionine‐(S)‐sulfoxide Km = 411.8 ± 33.8 μM and Vmax = 307.5 ± 10.8 μM/min were determined.
Enantiomeric separation of amlodipine and its two chiral impurities by nano‐liquid chromatography and capillary electrochromatography using a chiral stationary phase based on cellulose tris(4‐chloro‐3‐methylphenylcarbamate)
Authors: Auditore Roberta , Santagati Natale A. , Aturki Zeineb , Fanali Salvatore
Published: June 2013

In this work, a novel polysaccharide‐based chiral stationary phase, cellulose tris(4‐chloro‐3‐methylphenylcarbamate), also called Sepapak 4 has been evaluated for the chiral separation of amlodipine (AML) and its two impurities. AML is a powerful vasodilatator drug used for the treatment of hypertension. Capillary columns of 100 μm id packed with the chiral stationary phase were used for both nano‐LC and CEC experiments. The optimization of the mobile phase composed of ACN/water, (90:10, v/v) containing 15 mM ammonium borate pH 10.0 in nano‐LC allowed the chiral separation of AML and the two impurities, but not in a single run. With the purpose to obtain the separation of the three pairs of enantiomers simultaneously, CEC analyses were performed in the same conditions achieving better enantioresolution and higher separation efficiencies for each compound. To fully resolve the mixture of six enantiomers, parameters such as buffer pH and concentration sample injection have been then investigated. A mixture of ACN/water (90:10, v/v) containing 5 mM ammonium borate buffer pH 9.0 enabled the complete separation of the three couples of enantiomers in less than 30 min. The optimized CEC method was therefore validated and applied to the analysis of pharmaceutical formulation declared to contain only AML racemate.
Comparative sensory and proximate evaluation of spontaneously fermenting kunu‐zaki made from germinated and ungerminated composite cereal grains
Authors: Oluwajoba Solakunmi O. , Akinyosoye Felix A. , Oyetayo Olusegun V.
Published: June 2013

This study evaluated the sensory properties, proximate composition, and overall consumer acceptability of kunu‐zaki using germinated and ungerminated Sorghum bicolor (sorghum), Pennisetum americanum (millet), and Digitaria exilis (acha) cereal grains. The three cereal grains were used in nongerminated and germinated composite and noncomposite proportions coded A (Acha), S (Sorghum), M (Millet), AS (Acha–Sorghum), AM (Acha–Millet), SM (Sorghum–Millet), ASG (Acha–Sorghum Germinated), AMG (Acha–Millet Germinated), and SMG (Sorghum–Millet Germinated). Proximate analysis determined the moisture content, ash, crude fiber, fat, and crude protein content of the fermented grains. The 9‐point hedonic scale was used to judge the sensory parameters of taste, color, and aroma. The paired comparison test was used to judge consumer preference between kunu‐zaki made from germinated grains and the ungerminated counterpart. Scores were statistically analyzed using the Kruskal–Wallis test in the SPSS analytical software package. Panelists ranked the ASG‐coded drink highest in terms of taste and aroma, the AMG‐coded drink highest in terms of color. SM ranked least in terms of taste; SMG ranked least in terms of aroma; and AM ranked the least in terms of color. Preference for each parameter was significantly different (P < 0.001). Panelists ranked overall preference for the drinks from the most liked to the least liked in the order ASG>AMG>A>AS>S>M>SMG>AM>SM. The overall preference for the drinks was also significantly different (P < 0.001). Panelists pairing both ungerminated drinks with the germinated drinks ranked the ungerminated drink AS as most preferred in terms of taste, color, and aroma above its germinated counterpart ASG with preference not significantly dependent on the parameters (P = 0.065 > 0.05). Ungerminated AM was also preferred above the germinated counterpart AMG in terms of taste, color, and aroma with preference not significantly dependent on parameters (P = 0.055 > 0.05). However, panelists showed preference for the taste and aroma of the germinated drink SMG but more preference for the color of the ungerminated drink SM with preference significantly dependent on the parameters (P = 0.028 < 0.05). Crude fiber values were higher – 11.3%, 13.1%, and 17.37% for SMG, AMG and ASG, respectively. Germination increased %Fat values slightly but the %Ash was relatively stable in both germinated and ungerminated drinks. Addition of germinated acha cereal grains to either sorghum or millet prior to fermentation offers desirable sensory and nutritional quality attributes in kunu‐zaki.
Directions of seismic anisotropy in laboratory models of mantle plumes
Authors: Druken K. A. , Kincaid C. , Griffiths R. W.
Published: June 2013

A recent expansion in global seismic anisotropy data provides important new insights about the style of mantle convection. Interpretations of these geophysical measurements rely on complex relationships between mineral physics, seismology, and mantle dynamics. We report on 3‐D laboratory experiments using finite strain markers evolving in time‐dependent, viscous flow fields to quantify the range in expected anisotropy patterns within buoyant plumes surfacing in a variety of tectonic settings. A surprising result is that laboratory proxies for the olivine fast axis overwhelmingly align tangential to radial outflow in plumes well before reaching the surface. These remarkably robust, and ancient, anisotropy patterns evolve differently in stagnant, translational, and divergent plate tectonic settings and are essentially orthogonal to patterns typically referenced when prospecting for plume signals in seismic data. Results suggest a fundamental change in the mineral physics‐seismology‐circulation relationship used in accepting or rejecting a plume model.
Risk of developing sudden sensorineural hearing loss in patients with nasopharyngeal carcinoma: A population‐based cohort study
Authors: Lin Charlene , Lin Shih‐Wei , Weng Shih‐Feng , Lin Yung‐Song
Published: June 2013

Background

The purpose of this study was to explore the risk of developing of sudden sensorineural hearing loss (SSHL) in patients with nasopharyngeal carcinoma (NPC).

Methods

A population‐based, retrospective cohort study using the Taiwan National Health Insurance Research Database was conducted. From 2001 to 2006, 9121 patients with newly diagnosed NPC and 45,605 comparison subjects without NPC were selected. The incidence of SSHL at the end of 2009 was determined.

Results

The incidence of SSHL was 6.53‐fold higher in the NPC group compared to the non‐NPC group (p < .001). Using Cox proportional hazard regressions, the risk of developing SSHL increased with an adjusted hazard ratio (HR) of 6.747 (95% confidence interval [CI] = 5.366–8.484) in patients with NPC compared with patients without NPC.

Conclusion

NPC was significantly associated with an increased risk of developing SSHL. The risk of developing SSHL increased over follow‐up time. © 2013 Wiley Periodicals, Inc. Head Neck 36: 203–208, 2014
Human papillomavirus and Epstein–Barr virus in nasopharyngeal carcinoma in a low‐incidence population
Authors: Dogan Snjezana , Hedberg Matthew L. , Ferris Robert L. , Rath Tanya J. , Assaad Adel M. , Chiosea Simion I.
Published: June 2013

Background

The significance of human papillomavirus (HPV) in nasopharyngeal carcinomas (NPCs) in a low‐incidence population remains unknown.

Methods

Samples from 90 patients with NPC (years, 1957–2012) were analyzed for Epstein–Barr virus (EBV). Clinical data, EBV, HPV, and p16 status were correlated with overall survival (OS; 63 cases; years, 1981–2012).

Results

Of 9 HPV‐positive cases, 3 extended from extra‐nasopharyngeal sites. Nasopharyngeal origin was confirmed in 6 cases. HPV‐positive NPC had OS similar to EBV‐positive NPC (85 vs 141 months;p> .05). The OS of patients with EBV/HPV‐negative NPC was worse (34 months;p= .004). Nonkeratinizing histology was associated with better outcome than keratinizing (115 vs 25 months;p= .001). Over the last several decades, the proportion of keratinizing NPC decreased from 34.5% to 14.3% (p= .026).

Conclusion

The etiologic role of HPV in NPC is confirmed. The favorable prognostic significance of HPV positivity is similar to that of EBV positivity. © 2013 Wiley Periodicals, Inc.Head Neck36: 511–516, 2014
Tumor volume reduction rate measured during adaptive definitive radiation therapy as a potential prognosticator of locoregional control in patients with oropharyngeal cancer
Authors: Lee Hyebin , Ahn Yong Chan , Oh Dongryul , Nam Heerim , Kim Young Il , Park Su Yeon
Published: June 2013

Background

The purpose of this study was to evaluate the prognostic significance of the tumor volume reduction rate (TVRR) measured during adaptive definitive radiation therapy (RT) in patients with oropharyngeal cancer.

Methods

We reviewed the RT records of 59 patients with oropharyngeal cancer who were treated with definitive RT with or without concurrent chemotherapy between January 2006 and October 2010. Adaptive replanning was performed in all patients during RT. The pre‐RT and mid‐RT gross tumor volumes (GTVs) of the primary and the metastatic lymph nodes were measured and analyzed for their possible impacts on locoregional control.

Results

After the median follow‐up period of 41.3 months (range, 9.3–73.5 months) for survivors, there were 10 treatment failures (8 locoregional recurrences and 2 distant metastases). The locoregional control rate at 3 years in all the patients was 84.1%. The mean pre‐RT and mid‐RT total GTVs were 27.5 cm3 (±17.9 cm3) and 16.9 cm3 (±12.1 cm3), and the mean GTV reduction rate was 37.9% (±22.6%), respectively. The patients who achieved locoregional control had a higher TVRR than those with locoregional failure (p = .010), and those with the TVRR >35% achieved significantly higher locoregional control at 3 years (94.4% vs 72.4%; p = .018). On multivariate analysis when adjusted with other clinical prognostic factors, the TVRR was found to be a significant factor affecting the locoregional control (hazard ratio = 0.136; 95% confidence interval = 0.022–0.852; p = .033).

Conclusion

The TVRR measured during adaptive RT proved a significant prognosticator on locoregional disease control in patients with oropharyngeal cancer, based on which a few therapeutic modifications may be considered. © 2013 Wiley Periodicals, Inc. Head Neck 36: 499–504, 2014
Spatial explicit soil moisture analysis: pattern and its stability at small catchment scale in the loess hilly region of China
Authors: Sun Feixiang , Lü Yihe , Fu Bojie , Ma Zhimin , Yao Xueling
Published: June 2013

Soil moisture is essential for plant growth and terrestrial ecosystems, especially in arid and semi‐arid regions. This study aims to quantify the variation of soil moisture content and its spatial pattern as well as the influencing factors. The experiment is conducted in a small catchment named Yangjuangou in the loess hilly region of China. Soil moisture to a depth of 1 m has been obtained by in situ sampling at 149 sites with different vegetation types before and after the rainy season. Elevation, slope position, slope aspect, slope gradient and vegetation properties are investigated synchronously. With the rainy season coming, soil moisture content increases and then reaches the highest value after the rainy season. Fluctuation range and standard deviation of soil moisture decrease after a 4‐month rainy season. Standard deviation of soil moisture increases with depth before the rainy season; after the rainy season, it decreases within the 0‐ to 40‐cm soil depth but then increases with depths below 40 cm. The stability of the soil moisture pattern at the small catchment scale increases with depth. The geographical position determines the framework of soil moisture pattern. Soil moisture content with different land‐use types is significantly increased after the rainy season, but the variances of land‐use types are significantly different. Landform and land‐use types can explain most of the soil moisture spatial variations. Soil moisture at all sample sites increases after the rainy season, but the spatial patterns of soil moisture are not significantly changed and display temporal stability despite the influence of the rainy season. Copyright © 2013 John Wiley & Sons, Ltd.
Assessment of the adequacy of the regional relationships between catchment attributes and catchment response dynamics, calibrated by a multi‐objective approach
Authors: Kim H. S. , Lee S.
Published: June 2013

This study aimed to evaluate the effectiveness of the regionalization method on the basis of a combination of a parsimonious model structure and a multi‐objective calibration technique. For this study, 12 gauged catchments in the Republic of Korea were used. The parsimonious model structure, requiring minimal input data, was used to avoid adverse effects arising from model complexity, over‐parameterization and data requirements. The IHACRES rainfall‐runoff model was applied to represent the dynamic response characteristics of catchments in Korea. A multi‐objective approach was adopted to reduce the predictive uncertainty arising from the calibration of a rainfall‐runoff model, by increasing the amount of information retrieved from the available data. The regional relationships (or models) between the model parameters and the catchment attributes were established via a multiple regression approach, incorporating correlation analysis and stepwise regression on linear and logarithmic scales. The impacts of the parameters, calibrated by the multi‐objective approach, on the adequacy of regional relationships were assessed by comparison with impacts obtained by the single‐objective approach. The regional relationships were well defined, despite limited available data. The drainage area, the effective soil depth, the mean catchment slope and the catchment gradient appeared to be the main factors for describing the hydrologic response characteristics in the areas studied. The overall model performance of the regional models based on the multi‐objective approach was good, producing reasonable results for high and low flows and for the overall water balance, simultaneously. The regional models based on the single‐objective approach yielded accurate predictions in high flows but showed limited predictive capability for low flows and the overall water balance. This was due to the optimal model parameter estimates when using a single‐objective measure. The parameters calibrated by the single‐objective approach decreased the predictability of the regional models. Copyright © 2013 John Wiley & Sons, Ltd.