bluuebunny/crossref_metadata_2025_split huggingface dataset:
Defining the Potential of Aglycone Modifications for Affinity/Selectivity Enhancement against Medically Relevant Lectins: Synthesis, Activity Screening, and HSQC‐Based NMR Analysis
Authors: Rauthu Subhash R. , Shiao Tze Chieh , André Sabine , Miller Michelle C. , Madej Élodie , Mayo Kevin H. , Gabius Hans‐Joachim , Roy René 
Published: November 2014

AbstractThe emerging significance of lectins for pathophysiological processes provides incentive for the design of potent inhibitors. To this end, systematic assessment of contributions to affinity and selectivity by distinct types of synthetic tailoring of glycosides is a salient step, here taken for the aglyconic modifications of two disaccharide core structures. Firstly we report the synthesis of seven N‐linked‐lactosides and of eight O‐linked N‐acetyllactosamines, each substituted with a 1,2,3‐triazole unit, prepared by copper‐catalyzed azide–alkyne cycloaddition (CuAAC). The totally regioselective β‐D‐(1→4) galactosylation of a 6‐O‐TBDPSi‐protected N‐acetylglucosamine acceptor provided efficient access to the N‐acetyllactosamine precursor. The resulting compounds were then systematically tested for lectin reactivity in two binding assays of increasing biorelevance (inhibition of lectin binding to a surface‐presented glycoprotein and to cell surfaces). As well as a plant toxin, we also screened the relative inhibitory potential with adhesion/growth‐regulatory galectins (total of eight proteins). This type of modification yielded up to 2.5‐fold enhancement for prototype proteins, with further increases for galectins‐3 and ‐4. Moreover, the availability of 15N‐labeled proteins and full assignments enabled 1H,15N HSQC‐based measurements for hu‐ man galectins‐1, ‐3, and ‐7 against p‐nitrophenyl lactopyranoside, a frequently tested standard inhibitor containing an aromatic aglycone. The measurements confirmed the highest affinity against galectin‐3 and detected chemical shift differences in its hydrophobic core upon ligand binding, besides common alterations around the canonical contact site for the lactoside residue. What can be accomplished in terms of affinity/selectivity by this type of core extension having been determined, the applied combined strategy should be instrumental for proceeding with defining structure–activity correlations at other bioinspired sites in glycans and beyond the tested lectin types.
Rigidified Clicked Dimeric Ligands for Studying the Dynamics of the PDZ1‐2 Supramodule of PSD‐95
Authors: Eildal Jonas N. N. , Bach Anders , Dogan Jakob , Ye Fei , Zhang Mingjie , Jemth Per , Strømgaard Kristian 
Published: November 2014

AbstractPSD‐95 is a scaffolding protein of the MAGUK protein family, and engages in several vital protein–protein interactions in the brain with its PDZ domains. It has been suggested that PSD‐95 is composed of two supramodules, one of which is the PDZ1‐2 tandem domain. Here we have developed rigidified high‐affinity dimeric ligands that target the PDZ1‐2 supramodule, and established the biophysical parameters of the dynamic PDZ1‐2/ligand interactions. By employing ITC, protein NMR, and stopped‐flow kinetics this study provides a detailed insight into the overall conformational energetics of the interaction between dimeric ligands and tandem PDZ domains. Our findings expand our understanding of the dynamics of PSD‐95 with potential relevance to its biological role in interacting with multivalent receptor complexes and development of novel drugs.
A Route to Stereochemically Pure Benzyllithium Reagents by Stereocontrolled Epimerisation
Authors: Koller Stephan G. , Kroesen Ulrike , Strohmann Carsten 
Published: November 2014

AbstractAlkyllithium compounds are not generally stable at room temperature, therefore strategies were established to overcome this limitation. We present a systematic approach to obtain a stereochemically enriched benzyllithium compound, starting with the simple addition of a chiral auxiliary and ending by incorporation of the auxiliary in the substrate. Thereby, a very unusual dimer of a lithiated benzylsilane was obtained, which could be split into stereochemically enriched monomers by the addition of Lewis bases. Furthermore, we were able to understand the factors responsible for this stereochemical enrichment by using quantum chemical calculations and clarify the configuration of the lithiated compound and the corresponding trapping product by crystallisation. This enabled us to determine the stereochemical course of the deprotonation and the subsequent metathesis reaction.
ISAC's classification results file format
Authors: Spidlen Josef , Bray Chris ,   ISAC Data Standards Task Force, Brinkman Ryan R. 
Published: November 2014

AbstractIdentifying homogenous sets of cell populations in flow cytometry is an important process for sorting and selecting populations of interests for further data acquisition and analysis. Many computational methods are now available to automate this process, with several algorithms partitioning cells based on high‐dimensional separation versus the traditional pairwise two‐dimensional visualization approach of manual gating. ISAC's classification results file format was developed to exchange the results of both manual gating and algorithmic classification approaches in a standardized way based on per event based classifications, including the potential for soft classifications expressed as the probability of an event being a member of a class. © 2014 International Society for Advancement of Cytometry
Generation of storm runoff and the role of animals in a small upland headwater stream
Authors: Meijles Erik W. , Dowd John F. , Williams Andrew G. , Heppell Catherine M. 
Published: November 2014

AbstractThis paper illustrates the hillslope storm runoff mechanisms and the effects of livestock in upland areas. The research site was a small upland catchment area on Dartmoor (Southwest England). It was shown that overland flow on the tracks and paths created by animals in the area responded very rapidly to rainfall, in the same order of magnitude as stream runoff. Livestock stocking densities were significantly different in different vegetation compositions. The topsoil bulk density values, moisture content and spatial track densities were significantly higher in areas associated with higher stocking rates. These areas reach a wetness threshold at an earlier state than surrounding, drier areas. When isolated, the wetter areas start discharging water only locally into downslope drier areas, but are not contributing to storm runoff in the stream. In areas with a high density of animal tracks, water is being discharged onto the track directly. The tracks comprised an ephemeral hydrological network contributing storm runoff to the stream quickly after rainfall. They transmit water rapidly downhill, short‐circuiting local areas, reducing runoff lag time and increasing storm stream runoff. The runoff producing mechanism, in which soil conditions, vegetation types and path networks are a complex interplay of contributing factors, may be relevant to other uplands, especially when they act as water reservoir or source area for possible flooding events. Therefore, upland management policies need to take into account that the heterogeneity of hillslopes at local scales has implications for storm runoff at the catchment scale. Copyright © 2014 John Wiley & Sons, Ltd.
Glycine–Nitrate Process for the Elaboration of Eu3+‐Doped Gd2O3 Bimodal Nanoparticles for Biomedical Applications
Authors: Goglio Graziella , Kaur Gaganpreet , Pinho Sonia L. C. , Penin Nicolas , Blandino Alexia , Geraldes Carlos F. G. C. , Garcia Alain , Delville Marie‐Helene 
Published: November 2014

AbstractMonoclinic and cubic europium‐doped Gd2O3 structures were selectively synthesized by the glycine–nitrate process by fine control of the synthesis temperature through the crucial fuel/oxidant ratio. The cubic phase is obtained under fuel‐rich conditions, whereas stoichiometric conditions induce the simultaneous formation of cubic and monoclinic polymorphs. The samples were subjected to appropriate sintering to obtain highly crystalline and carbon‐free materials. The average nanoparticle (NP) size determined by TEM for these nanopowders (23 nm) agrees with the average crystallite sizes obtained from XRD Rietveld analysis; therefore, the particles are monocrystalline. Both electron energy loss spectroscopy (EELS) and photoluminescence studies showed that the europium‐doped NPs are highly luminescent, and the Eu3+ ions are homogeneously distributed over the whole material as well as over the two gadolinium crystallographic sites of the cubic phase. These fluorescent NPs exhibit relaxivities that define them as potential T1 contrast agents for further biomedical applications.
Docosahexaenoic acid purification from fish processing industry by‐products
Authors: Rincón Cervera Miguel Ángel , Venegas Elena , Ramos Bueno Rebeca Pilar , Suárez Medina Maria Dolores , Guil Guerrero José Luis 
Published: November 2014

Docosahexaenoic acid (DHA) is a well‐known dietary n‐3 polyunsaturated fatty acid (PUFA) found in marine fish and organisms whose beneficial effects for human health are widely reported. However, the supply of food containing DHA is currently becoming critical due to the overexploitation of fisheries worldwide. Consequently, searching for alternative sources of DHA is a relevant issue nowadays. Viscera from cultured fishes is considered a by‐product by the fishery industry and therefore discarded after fish processing. In this work, viscera from farmed marine fish (Sparus aurata and Dicentrarchus labrax) and also oil extracted from such by‐products have been studied to assess their suitability as DHA sources by obtaining their fatty acid profiles. Viscera oil was used as a source for DHA purification by a simple and easily scalable chromatographic method. As a result, a highly purified DHA fraction (>99.0% DHA on total fatty acids) was obtained.Practical applications: This DHA concentrate obtained from viscera oil could be potentially used for alimentary or pharmaceutical purposes due to its lower cholesterol content compared with other known marine sources and also because only safe and legally allowed food‐grade solvents have been used throughout the whole process. This way, by obtaining a high added‐value product, a revaluation is given to fish by‐products which are usually discarded.Fatty acid profile of whole viscera oil (11.1% DHA of total FA) (left) and chromatogram of the DHA fraction after chromatographic purification (>99.0% DHA of total FA) (right) by using food‐grade solvents as the mobile phase.
Iterative process acceleration of calculation of unsteady, viscous, compressible, and heat‐conductive gas flows
Authors: Shterev K. S. 
Published: November 2014

SUMMARYIn this paper, extrapolation technique is introduced in the Semi‐Implicit Method for Pressure‐Linked Equations ‐ Time Step (SIMPLE‐TS) finite volume iterative algorithm for calculation of compressible Navier–Stokes–Fourier equations subject of slip and jump boundary conditions. The initial state, required by the iterative solver in simulation of unsteady flow problems, is approximated in time by Lagrange polynomial extrapolation in each node. The approach is applicable to a parallel code in a straightforward way due to algorithmic independence of the neighboring nodes in the computational grid. A criterion is proposed to determine the order of extrapolation polynomial and stop the extrapolation execution, when the local steady state is reached. The approach is tested on different microflow problems: Couette flow, flow past a square in a microchannel at subsonic and supersonic speeds, and convective Rayleigh–Bénard flow of a rarefied gas. The acceleration varies from 1.14‐fold to 2.8‐fold. Copyright © 2014 John Wiley & Sons, Ltd.
Synthesis of Furo[2,3‐d]pyridazin‐4(5H)‐one and Its N(5)‐Substituted Derivatives
Authors: Karahan Emrah , Koza Gani , Balci Metin 
Published: November 2014

AbstractWe report the efficient preparation of furo[2,3‐d]pyridazin‐4(5H)‐one and its N‐substituted derivatives starting from methyl 2‐methylfuran‐3‐carboxylate. The Me group was converted to the aldehyde group, which was then condensed with hydrazine derivatives. Then, the ester functionalities were hydrolyzed to the corresponding acids, followed by treatment with SOCl2 to give N‐substituted furopyridazinone derivatives.
Synthesis of ortho‐Phenylenebis(guanidine) Derivatives with Potential Chirality
Authors: Fukuzumi Masahiro , Nakanishi Waka , Ishikawa Tsutomu , Kumamoto Takuya 
Published: November 2014

AbstractWe report the synthesis and potential chirality of ortho‐phenylenebisguanidines (BGs) with substituents at C(3) and C(6). Guanidinylation of 3,6‐disubstituted benzene‐1,2‐diamines with 2‐chloro‐4,5‐dihydro‐1,3‐dimethyl‐1H‐imidazolium chloride gave the corresponding BGs. X‐Ray crystallography showed that the two guanidine moieties occupy different faces of the benzene ring, creating potential chirality, although optical resolution of tBu‐substituted BG by chiral HPLC failed. However, a methylated acyclic bisguanidinium salt (BGms) was obtained as a chiral crystal with a space group of P212121.
A complete automated algorithm for segmentation of tissues and identification of tumor region in T1, T2, and FLAIR brain images using optimization and clustering techniques
Authors: Govindaraj Vishnuvarthanan , Murugan Pallikonda Rajasekaran 
Published: November 2014

ABSTRACTTissues in brain are the most complicated parts of our body, a clear examination and study are therefore required by a radiologist to identify the pathologies. Normal magnetic resonance (MR) scanner is capable of producing brain images with bounded tissues, where unique and segregated views of the tissues are required. A distinguished view upon the images is manually impossible and can be subjected to operator errors. With the assistance of a soft computing technique, an automated unique segmentation upon the brain tissues along with the identification of the tumor region can be effectively done. These functionalities assist the radiologist extensively. Several soft computing techniques have been proposed and one such technique which is being proposed is PSO‐based FCM algorithm. The results of the proposed algorithm is compared with fuzzy C‐means (FCM) and particle swarm optimization (PSO) algorithms using comparison factors such as mean square error (MSE), peak signal to noise ratio (PSNR), entropy (energy function), Jaccard (Tanimoto Coefficient) index, dice overlap index and memory requirement for processing the algorithm. The efficiency of the PSO‐FCM algorithm is verified using the comparison factors.
POSTERIOR‐PREDICTIVE EVIDENCE ON US INFLATION USING EXTENDED NEW KEYNESIAN PHILLIPS CURVE MODELS WITH NON‐FILTERED DATA
Authors: Baştürk Nalan , Çakmakli Cem , Ceyhan S. Pinar , Van Dijk Herman K. 
Published: November 2014

SUMMARYChanging time series properties of US inflation and economic activity, measured as marginal costs, are modeled within a set of extended New Keynesian Phillips curve (NKPC) models. It is shown that mechanical removal or modeling of simple low‐frequency movements in the data may yield poor predictive results which depend on the model specification used. Basic NKPC models are extended to include structural time series models that describe typical time‐varying patterns in levels and volatilities. Forward‐ and backward‐looking expectation components for inflation are incorporated and their relative importance is evaluated. Survey data on expected inflation are introduced to strengthen the information in the likelihood. Use is made of simulation‐based Bayesian techniques for the empirical analysis. No credible evidence is found on endogeneity and long‐run stability between inflation and marginal costs. Backward‐looking inflation appears stronger than forward‐looking inflation. Levels and volatilities of inflation are estimated more precisely using rich NKPC models. The extended NKPC structures compare favorably with existing basic Bayesian vector autoregressive and stochastic volatility models in terms of fit and prediction. Tails of the complete predictive distributions indicate an increase in the probability of deflation in recent years. Copyright © 2014 John Wiley & Sons, Ltd.
Development and steroidogenic properties of the Bidder's organ of the tadpole of Rhinella arenarum (Amphibia, Anura)
Authors: Sassone Alina Grisel , Regueira Eleonora , Scaia Maria Florencia , Volonteri Maria Clara , Ceballos Nora Raquel 
Published: November 2014

ABSTRACTSeveral studies suggested that in anuran amphibians steroidogenic enzymes are critical for gonadal differentiation, proposing that the amount of sex steroids would adjust this differentiation. Among anurans, bufonids are important for the study of sex differentiation due to the presence of Bidder's organ (BO) that differentiates as a rudimentary ovary in the cephalic portion of the genital ridge. Considering that in adult males of Rhinella arenarum, the BO synthesizes estradiol, the main purpose of this work is to examine, in this species, the morphogenesis of BO and the steroidogenic capacity of this organ during larval development. BO and the proper gonads are distinguished from Gosner stage 26. During metamorphosis, BO primary oogonia develop in oogonia in nests, early previtellogenic oocytes and late previtellogenic oocytes in follicles while proper gonads remain undifferentiated. Aromatase was detected by immunohistochemistry in almost all the largest follicles of the BOs while the cytochrome P450 side‐chain cleavage was observed in only few oocytes. The proper gonad was not immunoreactive in any stage. The determination of aromatase and 5α‐reductase activities showed that the population of tadpoles between stages 36–41 is not homogeneous in terms of aromatase activity. In addition, from stage 26 to the end of metamorphosis, all the stages were able to produce estradiol from endogenous substrate but stages 40–41, corresponding to the end of pro‐metamorphosis, produced the highest values. In conclusion, BO is able to synthesize estradiol from endogenous precursors and proper gonad remains undifferentiated at least until the end of the metamorphosis. J. Exp. Zool. 323A: 137–145, 2015. © 2014 Wiley Periodicals, Inc.
Long‐term loss of osteoclasts and unopposed cortical mineral apposition following limited field irradiation
Authors: Oest Megan E. , Franken Veerle , Kuchera Timothy , Strauss Judy , Damron Timothy A. 
Published: November 2014

ABSTRACTLate‐onset fragility fractures are a common complication following radiotherapy for metastatic disease and soft tissue sarcomas. Using a murine hindlimb focal irradiation model (RTx), we quantified time‐dependent changes in osteoclasts and mineral apposition rate (MAR). Mice received either a single, unilateral 5 Gy exposure or four fractionated doses (4 × 5 Gy). Osteoclast numbers and MAR were evaluated histologically at 1, 2, 4, 8, 12, and 26 weeks post‐RTx. Radiation induced an early, transient increase in osteoclasts followed by long‐term depletion. Increased osteoclast numbers correlated temporally with trabecular resorption; the resorbed trabeculae were not later restored. Radiotherapy did not attenuate MAR at any time point. A transient, early increase in MAR was noted in both RTx groups, however, the 4 × 5 Gy group exhibited an unexpected spike in MAR eight weeks. Persistent depletion of osteoclasts permitted anabolic activity to continue unopposed, resulting in cortical thickening. These biological responses likely contribute to post‐radiotherapy bone fragility via microdamage accumulation and matrix embrittlement in the absence of osteoclastic remodeling, and trabecular resorption‐induced decrease in bone strength. The temporal distribution of osteoclast numbers suggests that anti‐resorptive therapies may be of clinical benefit only if started prior to radiotherapy and continued through the following period of increased osteoclastic remodeling. © 2014 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 33:???–???, 2015.
Radiation and absorption properties of gold nanodipoles in transmitting mode
Authors: da Costa Karlo Q. , Dmitriev Victor 
Published: November 2014

ABSTRACTThis article presents an analysis of radiation and absorption properties of cylindrical gold nanodipoles in the transmitting mode. The conventional antenna theory and the linear method of moments are used for theoretical analysis of these antennas in the near‐infrared and lower optical frequencies (100−500 THz). Frequency dependence of radiation and absorption parameters such as input impedance, efficiency, radiation, and loss resistance is calculated for different dipole's lengths and radii. The presented results can be useful to design efficient nanodipoles and to perform the input impedance matching of these antennas with plasmonic optical transmission lines. © 2015 Wiley Periodicals, Inc. Microwave Opt Technol Lett 57:1–6, 2015
Fiber‐wireless integration for 80 Gbps polarization division multiplexing −16QAM signal transmission at W‐band without RF down conversion
Authors: Yang Chao , Li Xinying , Xiao Jiangnan , Chi Nan , Yu Jianjun 
Published: November 2014

ABSTRACTWe propose and experimentally demonstrate a fiber‐wireless integration system at W‐band (75–100 GHz), and 80‐Gbps polarization division multiplexing 16‐ary quadrature amplitude modulation (QAM) signal is transmitted in an optical‐wireless‐optical system for the first time. After 50‐km single‐mode fiber‐28 (single‐mode fiber (SMF)‐28) transmission, the millimeter‐wave signal at 84‐GHz is delivered over a 4‐m 2 × 2 multiple‐input multiple‐output wireless link, and finally up‐converted to optical signal for another 50‐km SMF‐28 transmission. With the optical signal‐to‐noise ratio of 30 dB, the bit error rate is below the forward‐error‐correction threshold of 3.8 × 10−3 using cascaded multimodulus algorithm equalization at the receiver. The experimental results indicate that high‐order QAM signal can be well suitable for long‐haul large‐capacity optical‐wireless‐optical transmission in the proposed system. © 2015 Wiley Periodicals, Inc. Microwave Opt Technol Lett 57:9–13, 2015
High gain 60 GHz antipodal fermi tapered slot antenna with sine corrugation
Authors: Briqech Z. , Sebak A. , Denidni T. A. 
Published: November 2014

ABSTRACTA millimeter‐wave antipodal Fermi tapered slot antenna configured with a new corrugation is presented. The corrugation has a sine wave profile for improved design flexibility and radiation performance. The effect of the sine‐corrugation parameters is presented in detail, and the optimized design is compared with the measured prototype. The antenna is fabricated using a low‐cost printed circuit board process. The measured bandwidth of the antenna covers a wide band (55–65 GHz) with a measured gain of 18.75 dB at 60 GHz. With these features, the antenna is suitable for short‐range wireless communications and imaging applications. © 2015 Wiley Periodicals, Inc. Microwave Opt Technol Lett 57:6–9, 2015
A 5 GHz linear laser diode driver for ROF transmission systems
Authors: Chen Yingmei , Zheng Yilin , Zhang Li 
Published: November 2014

ABSTRACTThe design of a 42 mA laser diode (LD) driver for 5 GHz radio‐over‐fiber transmission systems is presented in this article. The proposed linear LD driver adopted a single‐ended two‐stage amplifier structure with the operating voltages of 1.8 and 3.3 V, respectively. The technique of self‐biased cascade amplifier is used to increase the gain and alleviate the danger of gate oxide breakdown. The measurement results show that the linear amplifier achieves the power gain of 15.3 dB and the output 1 dB compression point of 16.4 dBm at 5.58 GHz. The corresponding output modulation current is up to 42 mA at the 1 dB compression point. The total chip area is only 710 × 580 μm2 with the all on chip input and output matching network, and the power consumption is 128 mW. © 2015 Wiley Periodicals, Inc. Microwave Opt Technol Lett 57:41–45, 2015