bluuebunny/crossref_metadata_2025_split huggingface dataset:
Functionalization of Hexa‐peri‐hexabenzocoronenes: Investigation of the Substituent Effects on a Superbenzene
Authors: Yamaguchi Ryuichi , Ito Satoru , Lee Byung Sun , Hiroto Satoru , Kim Dongho , Shinokubo Hiroshi 
Published: October 2012

AbstractWe have demonstrated that the iridium‐catalyzed direct borylation of hexa‐peri‐hexabenzocoronene (HBC) enables regioselective introduction of boryl groups to the para‐, ortho‐, and meta‐substituted HBCs in high yields. The boryl groups have been transformed into various functionalities such as hydroxy, cyano, ethynyl, and amino groups. We have elucidated that the substituents significantly influence the photophysical properties of HBCs to enhance fluorescence quantum yields. DFT calculations revealed that the origin of the substituent effect is the lift in degeneracy in the frontier orbitals by an interaction with electron‐donating and electron‐withdrawing substituents at the para‐ and ortho‐positions. The change in molecular orbitals results in an increase of the transition probability from the S0→S1 states. In addition, the two‐photon absorption cross‐section values of para‐substituted HBCs are significantly larger than those of ortho‐ and meta‐substituted HBCs.
Nilotinib preclinical pharmacokinetics and practical application toward clinical projections of oral absorption and systemic availability
Authors: Xia Binfeng , Heimbach Tycho , He Handan , Lin Tsu‐han 
Published: October 2012

ABSTRACTNilotinib is a highly potent and selective bcr‐abl tyrosine kinase inhibitor used for the treatment of patients who are in the chronic and accelerated phases of Philadelphia chromosome‐positive (Ph+) chronic myeloid leukemia (CML). Nilotinib preclinical data and its use for practical predictions of systemic exposure profiles and oral absorption are described. The systemic clearance (CL) of nilotinib was relatively low in rodents with a value of less than 25% of hepatic blood flow (QH), while it was moderate in monkeys and dogs (CL /QH = 32–35%). The steady state volume of distribution (Vss) ranged from 0.55 to 3.9 l/kg across the species tested. The maximum concentration (Cmax) of nilotinib occurred at 0.5–4 h and the bioavailability was moderate (17–44%). The plasma protein binding was high (> 97.5%) in preclinical species and humans. The human CL (~ 0.1 l/h/kg) and Vss (~2.0 l/kg) were best predicted by the rat–dog–human proportionality method and allometric scaling method, respectively. The human intravenous pharmacokinetic profile was projected by the Wajima ‘Css‐MRT’ method. The predicted micro‐constants from human intravenous profiles were incorporated into the advanced compartmental absorption and transit model within the GastroPlus program to simulate the oral concentration–time curves in humans. Overall, the simulated oral human pharmacokinetic profiles showed good agreement with observed clinical data, and the model predicted that the Cmax, AUC, t1/2, Vz/F and CL/F values were within 1.3‐fold of the observed values. The absolute oral bioavailability of nilotinib in healthy humans was predicted to be low (< 25%). Copyright © 2012 John Wiley & Sons, Ltd.
Haptic collision handling for simulation of transnasal surgery
Authors: Neubauer André , Brooks Rupert , Brouwer Iman , Debergue Patricia , Laroche Denis 
Published: October 2012

ABSTRACTSimulation of endoscopic navigation in the narrow nasal cavity poses important challenges to the computation of adequate and near‐realistic collision response and haptic feedback because extensive multidirectional contact and massive tissue deformations are inevitable. We present a virtual coupling algorithm that provides stable collision response as well as intuitive and smooth haptic interaction in all phases of the simulation. In each iteration, continuous collision detection between the point shell representing the surface of the virtual patient anatomy and the endoscope, represented by a cylinder, is performed. This allows for rolling back the instrument movement to the point in time the first collision occurred. Subsequently, a relaxation process locally optimizes the position and orientation of the instrument. A novel method of applying contact forces to colliding tissues and thus triggering appropriate deformations improves the fluency of navigation. This paper describes the algorithm and presents experimental results. © Her Majesty the Queen in Right of Canada 2012. Reproduced with the permission of the Minister of Medical Devices, National Research Council Canada.
A Backup Plan for Self‐Protection: S‐Methylation of Holomycin Biosynthetic Intermediates in Streptomyces clavuligerus
Authors: Li Bo , Forseth Ry R. , Bowers Albert A. , Schroeder Frank C. , Walsh Christopher T. 
Published: October 2012

AbstractBiosynthesis of the dithiolopyrrolone antibiotic holomycin in Streptomyces clavuligerus involves the closure of a pair of enethiols to a cyclic disulfide. We have shown that the dithiol oxidase HlmI is responsible for the disulfide formation and this enzyme also plays a role in self‐protection. In the present study, we examine how S. clavuligerus deals with the proposed toxic dithiol intermediates when hlmI is deleted. We used differential NMR spectroscopy and mass spectrometry to profile the metabolomes of hlmI deletion mutants along with the wild‐type strain and a holomycin‐overproducing strain. A number of metabolites unique to ΔhlmI strains were identified. In these metabolites the enethiols have been incapacitated by a combination of mono‐ and di‐S‐methylation. We also observed an intriguing dimeric thioether adduct in low quantities in the wild‐type strain and at much higher levels in the ΔhlmI strains. The structures of these novel metabolites highlight the reactivity of the dihydrodithiolopyrrolone scaffold. Furthermore, bioassays suggest that modification of the enethiol warhead by S‐alkylation provides a host strategy for detoxification, one that is shared amongst multiple species producing such bioactive disulfide natural products.
Promotional Effect of Ni on a CrOx Catalyst Supported on Silica in the Oxidative Dehydrogenation of Propane with CO2
Authors: Yun Danim , Baek Jayeon , Choi Youngbo , Kim Wooyoung , Lee Hee Jong , Yi Jongheop 
Published: October 2012

AbstractAs CrOx catalysts supported on the SBA‐15 support (Cr/Si) are highly active, they represent potentially promising catalysts for the oxidative dehydrogenation of propane with CO2 (ODHP). However, reduction of the active sites (Cr3+) during the reaction is known to lead to severe deactivation. The findings reported herein indicate that after the addition of 0.5 wt % Ni to 10 wt % Cr/Si (0.5 Ni‐Cr/Si), the catalytic activity was stable and the selectivity was high. Reduced CrOx was easily regenerated by the addition of Ni, as evidenced by a three‐step H2‐temperature programmed reduction analysis. In addition, ex situ XPS results revealed that Cr3+ was maintained only in the Ni‐promoted catalyst whereas Cr3+ was easily reduced to Cr2+ in the non‐promoted catalyst during the reaction. The role of the Ni added to the catalyst elucidates that Ni induces the dissociation of CO2 to CO and activated O (O*ads). Then, the generated O*ads regenerates the reduced CrOx. Consequently, the Ni‐promoted Cr/Si catalyst enhances the catalytic stability of propylene in the ODHP reaction.
A geomorphic perspective on terrain‐modulated organization of vegetation productivity: analysis in two semiarid grassland ecosystems in Southwestern United States
Authors: Flores Cervantes Javier H. , Istanbulluoglu Erkan , Vivoni Enrique R. , Holifield Collins Chandra D. , Bras Rafael L. 
Published: October 2012

ABSTRACTSpatial patterns of ecosystem productivity arise from the terrain‐modulated wetting and drying of the landscape. Using a daily relative greenness (rG) index, we explore the relations between spatial variability of plant productivity and landscape morphology, and how these relations change over time. The rG index is defined as a measure of local vegetation greenness relative to the site's mean greenness, calculated from remotely sensed normalized difference vegetation index. We analyse two semiarid grasslands with pronounced topography, one located in southeastern Arizona, with a mean annual precipitation of 350 mm, and the other in central New Mexico, with a mean annual precipitation of 250 mm. Our results indicate that (1) rG is spatially more uniform after wet conditions (higher biomass) than after dry conditions (lower biomass); (2) differences in the relative frequency distribution of rG among different landscape morphologies (ridges, unchanneled valleys and channels) indicate higher productivity in channels, similar coefficient of variation in all process domains, and higher skewness in the ridges; (3) relatively high correlations between the binned average rG with respect to upstream area, curvature, and annual insolation in more than 80% of the terrain indicate a clear dependence between ecosystem productivity and topography; (4) rG is more sensitive to changes in topographic indices at the wetter Arizona study site. Such improved understanding of vegetation‐topography dependence is critical for ecosystem management, testing ecohydrologic models, and offers ideas for the downscaling of coarse‐scale satellite‐derived vegetation indices. Copyright © 2012 John Wiley & Sons, Ltd.
The Facial and Subjective Emotional Reaction in Response to a Video Game Designed to Train Emotional Regulation (Playmancer)
Authors: Claes Laurence , Jiménez‐Murcia Susana , Santamaría Juan J. , Moussa Maher B. , Sánchez Isabel , Forcano Laura , Magnenat‐Thalmann Nadia , Konstantas Dimitri , Overby Mikkel L. , Nielsen Jeppe , Bults Richard G. A. , Granero Roser , Lam Tony , Kalapanidas Elias , Treasure Janet , Fernández‐Aranda Fernando 
Published: October 2012

AbstractSeveral aspects of social and emotional functioning are abnormal in people with eating disorders. The aim of the present study was to measure facial emotional expression in patients with eating disorders and healthy controls whilst playing a therapeutic video game (Playmancer) designed to train individuals in emotional regulation. Participants were 23 ED patients (11 AN, 12 BN) and 11 HCs. ED patients self reported more anger at baseline but expressed less facial expression of anger during the Playmancer game. The discrepancy between self‐report and non‐verbal expression may lead to problems in social communication. Copyright © 2012 John Wiley & Sons, Ltd and Eating Disorders Association.
Frequency domain multi‐user receivers for IEEE 802.15.4a short‐range communication network
Authors: Morosi Simone , Bianchi Tiziano , Gei Francesco 
Published: October 2012

ABSTRACTIn this letter, we propose frequency domain receivers for an IEEE 802.15.4a short‐range communication network: the uplink case is taken into account, considering a scenario where several devices communicate with a coordinator node. The channel model has been also derived according to the IEEE 802.15.4a recommendations. Results show that the proposed approach can be beneficial in short‐range systems under severe conditions of multipath propagation and interference. An interesting novelty of the proposed approach is that both single‐user and multi‐user FD receivers based on the minimum mean square error criterion can be derived by exploiting the zero padding technique which is intrinsic in the symbol structure of the standard. Copyright © 2012 John Wiley & Sons, Ltd.
Incompressible Roe‐like scheme for turbulent flows
Authors: Orang Ali Atashbar , Razavi Seyed Esmail 
Published: October 2012

SUMMARYIn the current study, numerical investigation of incompressible turbulent flow is presented. By the artificial compressibility method, momentum and continuity equations are coupled. Considering Reynolds averaged Navier–Stokes equations, the Spalart–Allmaras turbulence model, which has accurate results in two‐dimensional problems, is used to calculate Reynolds stresses. For convective fluxes a Roe‐like scheme is proposed for the steady Reynolds averaged Navier–Stokes equations. Also, Jameson averaging method was implemented. In comparison, the proposed characteristics‐based upwind incompressible turbulent Roe‐like scheme, demonstrated very accurate results, high stability, and fast convergence. The fifth‐order Runge–Kutta scheme is used for time discretization. The local time stepping and implicit residual smoothing were applied as the convergence acceleration techniques. Suitable boundary conditions have been implemented considering flow behavior. The problem has been studied at high Reynolds numbers for cross flow around the horizontal circular cylinder and NACA0012 hydrofoil. Results were compared with those of others and a good agreement has been observed. Copyright © 2012 John Wiley & Sons, Ltd.
Degradation of tetracyclines in different water matrices by advanced oxidation/reduction processes based on gamma radiation
Authors: López Peñalver Jesús J. , Gómez Pacheco Carla V. , Sánchez Polo Manuel , Rivera Utrilla José 
Published: October 2012

AbstractBackgroundThis study analyzes the efficacy of a gamma radiation advanced oxidation/reduction process (AORP) to treat waters contaminated with the antibiotics tetracycline (TC), chlortetracycline (CTC), and oxytetracycline (OTC).ResultsStudy results indicate that: (1) radiolysis of the three TCs fits a pseudo‐first‐order kinetic model in which the radiation‐chemical yield decreases with higher absorbed dose; (2) the value of the dose constant depended on the dose rate, which ranged from 3.83 to 1.66 Gy min–1, and depended to a small extent on the medium pH between pH values of 2.0 and 10.0, since aqueous electrons and hydroxyl radicals both act in TC degradation; (3) the effectiveness of the process was slightly increased at low concentrations of H2O2; (4) the presence of Cl−, , , and humic acid influenced TCs degradation, which was higher at low concentrations of Cl−, and HA and markedly decreased at low concentrations of of and ; (5) the dose constant is lower in natural waters; (6) TOC values for ultrapure water, surface water, groundwater and wastewater showed that it is not possible to obtain complete TC mineralization at the absorbed doses; (7) the toxicity of byproducts formed during the radiolytic process was lower.ConclusionsGamma radiation, an oxidation/reduction procedure, is an effective treatment for removing TC, CTC and OTC from aqueous solutions. TC degradation takes place by both oxidation and reduction pathways, with a predominance of the latter, as demonstrated by the markedly reduced dose constant in the presence of aqueous electron scavengers.
Microfiltration applied to dairy streams: removal of bacteria
Authors: Fernández García Leticia , Álvarez Blanco Silvia , Riera Rodríguez Francisco A 
Published: October 2012

AbstractMicrofiltration applied in the dairy industry for bacteria removal is an important technology for extending the shelf life of milk while maintaining or even improving its organoleptic and nutritional properties. This article reviews the evolution of this technique over recent years and the advances currently being made in the field. The cited literature indicates the strategies used to overcome the main drawbacks of this type of operation, the most common operating conditions employed and the reduction degree of bacteria obtained. Copyright © 2012 Society of Chemical Industry
A review of chemical composition and nutritional value of wild‐growing and cultivated mushrooms
Authors: Kalač Pavel 
Published: October 2012

AbstractFruit bodies of about 200 mushroom species are consumed throughout the world, preferably as a delicacy. Knowledge of their chemical composition, nutritional value and health‐promoting effects has expanded dynamically during the last few years. Dry matter (DM) is low: commonly about 100 g kg−1. The usual contents of protein, lipids and ash are 200–250, 20–30 and 80–120 g kg−1 DM, respectively. Various carbohydrates form the remaining DM. Nevertheless, great variations occur both among and within species. Energy is low, usually 350–400 kcal kg−1 of fresh fruit bodies. The nutritional contribution of mushroom protein derived from earlier data seems to be overestimated. Fat content is low with markedly prevailing in linoleic acid and oleic acid, while the proportion of n‐3 fatty acids is nutritionally marginal. The main carbohydrates are chitin, glycogen, trehalose and mannitol. Information on fibre content and composition is limited. Health‐promoting β‐glucans are an auspicious group of polysaccharides. High potassium content is characteristic of mushrooms. Several species can accumulate very high levels of both detrimental trace elements, particularly cadmium and mercury, and radiocaesium isotopes if growing on heavily polluted substrates. Mushrooms seem to be a considerable source of ergosterol, provitamin D2, and phenolids with antioxidative properties. Hundreds of flavour constituents have been identified, particularly with eight‐carbon aliphatic chains. Data on changes of mushroom components under various preservation conditions and culinary treatments have been fragmentary. Even more limited is knowledge of nutrient bioavailability. Copyright © 2012 Society of Chemical Industry
Molecular cloning and functional expression of allergenic sarcoplasmic calcium‐binding proteins from Penaeus shrimps
Authors: Mita Hajime , Koketsu Aiko , Ishizaki Shoichiro , Shiomi Kazuo 
Published: October 2012

AbstractBACKGROUNDSarcoplasmic calcium‐binding proteins (SCPs) have recently been identified as crustacean allergens. However, information on their primary structures is very limited and no recombinant SCP (rSCP) as an alternative of natural SCP (nSCP) is available. This study was aimed to elucidate primary structures of SCPs from two species of Penaeus shrimp (black tiger shrimp and kuruma shrimp) by cDNA cloning and to produce a black tiger shrimp rSCP preparation that is comparable in IgE reactivity to nSCP.RESULTSThe full‐length cDNAs encoding black tiger shrimp and kuruma shrimp SCPs were successfully cloned. Both SCPs are composed of 193 amino acid residues and share more than 80% sequence identity with the known crustacean SCPs. The black tiger shrimp SCP was then expressed in Escherichia coli using the pFN6A (HQ) Flexi vector system. Enzyme‐linked immunosorbent assay (ELISA) and inhibition ELISA experiments demonstrated that rSCP has the same IgE reactivity as nSCP.CONCLUSIONOur results provide further evidence for the high sequence identity among crustacean SCPs. In addition, rSCP will be a useful tool in studying crustacean allergens and also in the diagnosis of crustacean allergy. © 2012 Society of Chemical Industry
Protective effects of resveratrol on salivary gland damage induced by total body irradiation in rats
Authors: Şimşek Gökçe , Gürocak Şimay , Karadaǧ Neşe , Karabulut Aysun Bay , Demirtaş Erol , Karataş Erkan , Pepele Eda 
Published: October 2012

AbstractObjectives/Hypothesis:One of the most common acute side effects of irradiation is xerostomia, which results from damage to the salivary gland cells by direct ionization. Resveratrol is a natural compound with profound anti‐inflammatory and antioxidant properties. The purpose of the present study was to investigate the potential protective effects of resveratrol on injury to the salivary glands of rats that were exposed to total body irradiation.Study Design:An experimental study at the Inonu University School of Medicine.Methods:Twenty‐nine female rats were randomized into four groups: group 1, high‐dose (100 mg/kg) resveratrol group (n = 7); group 2, low‐dose (10 mg/kg) resveratrol group (n = 7); group 3, control (vehicle) rats (n = 7); and group 4, sham‐irradiation group (n = 8). The medications were administered as single doses, and the rats were exposed to total body irradiation 24 hours after the treatment. The animals were sacrificed the following day, and the parotid and submandibular glands were excised. Salivary gland histology and the tissue levels of glutathione (GSH), nitric oxide (NO), and malondialdehyde (MDA) were investigated.Results:The rats in group 1 showed significantly decreased acinar loss and less ductal damage and cell necrosis than those of the control group (P < .05). Antioxidant GSH levels were significantly increased by high doses of resveratrol treatment. The tissue activities of MDA in both the parotid and submandibular glands were significantly reduced in group 1. Low‐dose resveratrol treatment did not significantly alter the tissue levels of MDA.Conclusions:Resveratrol at relatively high doses can reduce the irradiation‐dependent salivary gland damage, suggesting that this natural antioxidant may be effectively used to lessen the side effects related to salivary gland dysfunction that is induced by irradiation. Laryngoscope, 2012
Opportunities for wavelength conversion with on‐chip diamond ring resonators
Authors: Vermeulen Nathalie , Sipe J.E. , Helt Lukas G. , Thienpont Hugo 
Published: October 2012

AbstractRecent progress in the fabrication of high‐quality synthetic diamond and of diamond waveguide structures has enabled photonics researchers to start exploiting the unique optical properties of diamond for various applications. In this article the promise of on‐chip diamond ring resonators for wavelength conversion based on Kerr and Raman‐resonant four‐wave mixing is numerically demonstrated. After examining to what extent both dispersion‐engineered phase‐matching and “automatic” quasi‐phase‐matching can be established in diamond ring converters, it is shown that such a “double‐matching” approach can yield high conversion efficiencies for a wide range of wavelengths in the near‐infrared/mid‐infrared domain, as well as in the ultraviolet/visible domain.
Maternal supplementation with an excess of different fat sources during pregnancy and lactation differentially affects feeding behavior in offspring: Putative role of the leptin system
Authors: Sánchez Juana , Priego Teresa , García Ana Paula , Llopis Marina , Palou Mariona , Picó Catalina , Palou Andreu 
Published: October 2012

ScopeThis study investigates the lasting effects of maternal supplementation with different fat sources during pregnancy and lactation on feeding behavior and energy homeostasis of their offspring, and its relation to hypothetical effects in the development of main central structures involved in leptin signaling.Methods and resultsOffspring of dams supplemented with olive oil, butter, or margarine during late pregnancy and lactation were fed with normal fat (NF) diet until 4‐month‐old, and then with NF or high fat (HF) diet until 6‐month‐old. Results showed that 21‐day‐old margarine group pups presented a higher cell number in the arcuate nucleus (ARC) (females) and higher hypothalamic ObRb/SOCS3 mRNA ratio (males). In adulthood, and under HF diet, they displayed a lower body weight (both genders) and body fat (males) than the butter group, a lower preference for fat food (both genders), and lower leptin levels than the olive oil (both genders) and butter (males) groups.ConclusionsMaternal supplementation with different fat sources during the perinatal period may affect the development of hypothalamic structures and hence predisposition to obesity. Margarine, compared with other fats, may program the offspring for increased leptin sensitivity and a lower preference for fat food, thus providing relative protection against body weight gain in adulthood, particularly under an obesogenic environment.