bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metabolite changes during natural and lactic acid bacteria fermentations in pastes of soybeans and soybean–maize blends
Authors: Ng'ong'ola‐Manani Tinna Austen , Østlie Hilde Marit , Mwangwela Agnes Mbachi , Wicklund Trude 
Published: September 2014

AbstractThe effect of natural and lactic acid bacteria (LAB) fermentation processes on metabolite changes in pastes of soybeans and soybean–maize blends was studied. Pastes composed of 100% soybeans, 90% soybeans and 10% maize, and 75% soybeans and 25% maize were naturally fermented (NFP), and were fermented by lactic acid bacteria (LFP). LAB fermentation processes were facilitated through back‐slopping using a traditional fermented gruel, thobwa as an inoculum. Naturally fermented pastes were designated 100S, 90S, and 75S, while LFP were designated 100SBS, 90SBS, and 75SBS. All samples, except 75SBS, showed highest increase in soluble protein content at 48 h and this was highest in 100S (49%) followed by 90SBS (15%), while increases in 100SBS, 90S, and 75S were about 12%. Significant (P < 0.05) increases in total amino acids throughout fermentation were attributed to cysteine in 100S and 90S; and methionine in 100S and 90SBS. A 3.2% increase in sum of total amino acids was observed in 75SBS at 72 h, while decreases up to 7.4% in 100SBS at 48 and 72 h, 6.8% in 100S at 48 h and 4.7% in 75S at 72 h were observed. Increases in free amino acids throughout fermentation were observed in glutamate (NFP and 75SBS), GABA and alanine (LFP). Lactic acid was 2.5‐ to 3.5‐fold higher in LFP than in NFP, and other organic acids detected were acetate and succinate. Maltose levels were the highest among the reducing sugars and were two to four times higher in LFP than in NFP at the beginning of the fermentation, but at 72 h, only fructose levels were significantly (P < 0.05) higher in LFP than in NFP. Enzyme activities were higher in LFP at 0 h, but at 72 h, the enzyme activities were higher in NFP. Both fermentation processes improved nutritional quality through increased protein and amino acid solubility and degradation of phytic acid (85% in NFP and 49% in LFP by 72 h).
SeqSIMLA2: Simulating Correlated Quantitative Traits Accounting for Shared Environmental Effects in User‐Specified Pedigree Structure
Authors: Chung Ren‐Hua , Tsai Wei‐Yun , Hsieh Chang‐Hsun , Hung Kuan‐Yi , Hsiung Chao A. , Hauser Elizabeth R. 
Published: September 2014

ABSTRACTSimulation tools that simulate sequence data in unrelated cases and controls or in families with quantitative traits or disease status are important for genetic studies. The simulation tools can be used to evaluate the statistical power for detecting the causal variants when planning a genetic epidemiology study, or to evaluate the statistical properties for new methods. We previously developed SeqSIMLA version 1 (SeqSIMLA1), which simulates family or case‐control data with a disease or quantitative trait model. SeqSIMLA1, and several other tools that simulate quantitative traits, do not specifically model the shared environmental effects among relatives on a trait. However, shared environmental effects are commonly observed for some traits in families, such as body mass index. SeqSIMLA1 simulates a fixed three‐generation family structure. However, it would be ideal to simulate prespecified pedigree structures for studies involving large pedigrees. Thus, we extended SeqSIMLA1 to create SeqSIMLA2, which can simulate correlated traits and considers the shared environmental effects. SeqSIMLA2 can also simulate prespecified large pedigree structures. There are no restrictions on the number of individuals that can be simulated in a pedigree. We used a blood pressure example to demonstrate that SeqSIMLA2 can simulate realistic correlation structures between the systolic and diastolic blood pressure among relatives. We also showed that SeqSIMLA2 can simulate large pedigrees with large chromosomal regions in a reasonable time frame.
Functionalization of 2″‐C‐(Piperazinomethyl)‐2′,3′‐BcNA (Bicyclic Nucleic Acids) with Pyren‐1‐ylcarbonyl Units
Authors: Borre Hansen Morten , Krog Andersen Nicolai , Raunkjær Michael , Trolle Jørgensen Per , Wengel Jesper 
Published: September 2014

AbstractHerein, we describe the incorporation of 2″‐C‐(piperazinomethyl)‐2′,3′‐BcNA (Bicyclic Nucleic Acids) into oligonucleotides via phosphoramidite chemistry and their subsequent solid‐phase functionalization with pyren‐1‐ylcarbonyl units after oligonucleotide synthesis. Thermal denaturation measurements showed that one modification led to increased thermal stability of the resulting duplex, and that two modifications could be incorporated in close proximity without decreasing the duplex stability (compared to the duplex stability of unmodified RNA). Fluorescence studies of the modified duplexes revealed that the structure and intensity of the fluorescence spectra were largely sequence‐dependent. Furthermore, molecular‐modeling studies showed that the pyrene moieties are placed in the major groove, and that the configuration at C(2″) is important for the thermal stability of the duplex.
Synthesis of Enantiomerically Pure Bis‐Sulfinyl Substituted Phenylene Ethynylenes
Authors: Barattucci Anna , Chiara Aversa Maria , Deni Elisa , Papalia Teresa , Bonaccorsi Paola 
Published: September 2014

AbstractThe stereoselective and efficient monoaddition of transient [(1S,2R,4R)‐2‐hydroxy‐7,7‐dimethylbicyclo[2.2.1]hept‐1‐yl]methanesulfenic (=(1S)‐isoborneol‐10‐sulfenic) acid to isomeric diethynylbenzenes affords {1‐[(1S)‐isoborneol‐10‐sulfinyl]ethenyl}ethynylbenzenes. Their enantiomerically pure (RS)‐epimers are involved in a Cu‐free Sonogashira coupling with 1,4‐diiodo‐2,5‐dimethoxybenzene to give C2‐symmetric bis‐sulfinyl phenylene ethynylenes, stimulating prototypes of new sulfurated chiral architectures that can find application as chelating agents.
Organocatalyzed and Uncatalyzed CC/CC and CC/CN Exchange Processes between Knoevenagel and Imine Compounds in Dynamic Covalent Chemistry
Authors: Kulchat Sirinan , Meguellati Kamel , Lehn Jean‐Marie 
Published: September 2014

AbstractMolecular diversity generation through reversible component exchange has acquired great importance in the last decade with the development of dynamic covalent chemistry. We explore here the recombination of components linked by CC and CN bonds through reversible double‐bond formation, and cleavage in CC/CC and CC/CN exchange processes. The reversibility of the Knoevenagel reaction has been explored, and CC/CC C/C exchanges have been achieved among different benzylidenes, under organocatalysis by secondary amines such as L‐proline. The substituents of these benzylidenes were shown to play a very important role in the kinetics of the exchange reactions. L‐Proline is also used to catalyze the reversible CC/CC exchange between Knoevenagel derivatives of barbituric acid and malononitrile. Finally, the interconversion between Knoevenagel derivatives of dimethylbarbituric acid and imines (CC/CN exchange) has been studied and was found to occur rapidly in the absence of catalyst. The results of this study pave the way for the extension of dynamic combinatorial chemistry based on CC/CC and CC/CN exchange systems.
Evaluation of irrigation water use efficiency using remote sensing in the middle reach of the Heihe river, in the semi‐arid Northwestern China
Authors: Wu Xuejiao , Zhou Jian , Wang Haijing , Li Yan , Zhong Bo 
Published: September 2014

AbstractIrrigation of agricultural oases is the main water consumer in semi‐arid and arid regions of Northwestern China. The accurate estimation of evapotranspiration (ET) on the oases is extremely important for evaluating water use efficiency so as to reasonably allocate water resources, particularly in semi‐arid and arid areas. In this study, we integrated the soil moisture information into surface energy balance system (SEBS) for improving irrigated crop water consumption estimation. The new approach fed with the moderate resolution imaging spectro‐radiometer images mapped spatiotemporal ET on the oasis in the middle reach of the Heihe river. The daily ET outputs of the new approach were compared with those of the original SEBS using the eddy correlation observations, and the results demonstrate that the modified SEBS remedied the shortcoming of general overestimating ET without regard to soil water stress. Meanwhile, the crop planting structure and leaf area index spatiotemporal distribution in the studied region were derived from the high‐resolution Chinese satellite HJ‐1/CCD images for helping analyse the pattern of the monthly ET (ETmonthly). The results show that the spatiotemporal variation of ETmonthly is closely related to artificial irrigation and crop growth. Further evaluation of current irrigation water use efficiency was conducted on both irrigation district scale and the whole middle reach of the Heihe river. The results reveal that the average fraction of consumed water on irrigation district scale is 57% in 2012. The current irrigation water system is irrational because only 52% of the total irrigated amount was used to fulfil plant ET requirement and the rest of the irrigation water recharged into groundwater in the oasis in 2012. However, in view of the whole middle reach of the Heihe river, the irrigation water use efficiency could reach to 66% in 2012. But pumping groundwater for reused irrigation wastes mostly energy instead of water. An improved irrigation water allocation system according to actual ET requirement is needed to increase irrigation efficiency per cubic meter water resource in an effort to save both water and energy. Copyright © 2014 John Wiley & Sons, Ltd.
On the Empirical Failure of Purchasing Power Parity Tests
Authors: Pelagatti Matteo , Colombo Emilio 
Published: September 2014

SummaryEmpirical research on the validity of the purchasing power parity (PPP) condition is generally based on real exchange rates built using the consumer price index (CPI), but fails to provide clear support to PPP. In this paper we show theoretically that, even if the law of one price (LOP) holds for traded goods, CPI‐based real exchange rates are not mean reverting, and are neither stationary nor integrated. Therefore, both unit root and stationarity tests should reject their null. Our theoretical results are validated both by simulations and an empirical application. Copyright © 2014 John Wiley & Sons, Ltd.
Effect of plasma treatment on the performance of two drug‐loaded hydrogel formulations for therapeutic contact lenses
Authors: Paradiso Patrizia , Chu Virginia , Santos Luís , Serro Ana Paula , Colaço Rogério , Saramago Benilde 
Published: September 2014

AbstractAlthough the plasma technology has long been applied to treat contact lenses, the effect of this treatment on the performance of drug‐loaded contact lenses is still unclear. The objective of this work is to study the effect of nitrogen plasma treatment on two drug‐loaded polymeric formulations which previously demonstrated to be suitable for therapeutic contact lenses: a poly‐hydroxyethylmethacrylate (pHEMA) based hydrogel loaded with levofloxacin and a silicone‐based hydrogel loaded with chlorhexidine. Modifications of the surface and the optical properties, and alterations in the drug release profiles and possible losses of the antimicrobial activities of the drugs induced by the plasma treatment were assessed. The results showed that, depending on the system and on the processing conditions, the plasma treatment may be beneficial for increasing wettability and refractive index, without degrading the lens surface. From the point of view of drug delivery, plasma irradiation at moderate power (200 W) decreased the initial release rate and the amount of released drug, maintaining the drug activity. For lower (100 W) and higher powers (300 W), almost no effect was detected because the treatment was, respectively, too soft and too aggressive for the lens materials. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 103B: 1059–1068, 2015.
Evaluation of Combustion Mechanisms Using Global Uncertainty and Sensitivity Analyses: A Case Study for Low‐Temperature Dimethyl Ether Oxidation
Authors: Tomlin Alison S. , Agbro Edirin , Nevrlý Václav , Dlabka Jakub , Vašinek Michal 
Published: September 2014

ABSTRACTA global uncertainty analysis is performed for three current mechanisms describing the low‐temperature oxidation of dimethyl ether (Aramco Mech 1.3, Metcalfe et al., Int J Chem Kinet 2013, 45, 638–675; Zheng et al., Proc Combust Inst 2005, 30, 1101–1109; Liu et al., Combust Flame 2013, 160, 2654–2668) with application to simulations of species concentrations (CH2O, H2O2, CH3OCHO) corresponding to existing data from an atmospheric pressure flow reactor and high‐pressure ignition delays. When incorporating uncertainties in reaction rates within a global sampling approach, the distributions of predicted targets can span several orders of magnitude. The experimental profiles, however, fall within the predictive uncertainty limits. A variance‐based sensitivity analysis is then undertaken using high dimensional model representations. The main contributions to predictive uncertainties come from the CH3OCH2 + O2 system, with isomerization, propagation, chain‐branching, secondary OH formation, and peroxy–peroxy reactions all playing a role. The response surface describing the relationship between sampled reaction rates and predicted outputs is complex in all cases. Higher order interactions between parameters contribute significantly to output variance, and no single reaction channel dominates for any of the conditions studied. Sensitivity scatter plots illustrate that many different parameter combinations could lead to good agreement with specific sets of experimental data. The Aramco scheme is then updated based on data from a recent study by Eskola et al. (J Phys Chem A, in press), which presents quite different temperature and pressure dependencies for the rates of CH3OCH2O2 → CH2OCH2O2H and CH2OCH2O2H → OH+2CH2O compared with currently used values and includes well skipping channels. The updates from Eskola worsen the agreement with experiments when used in isolation. However, if the rate of the CH2OCH2O2H + O2 channel is subsequently reduced, very good agreement can be achieved. Owing to the complex nature of the response surface, the tuning of this channel remains speculative. Further detailed studies of the temperature and pressure dependence of the CH3OCH2O2 + O2, CH2OCH2O2H + O2 system are recommended to reduce uncertainties within current dimethyl ether mechanisms for low‐temperature conditions.
Insights into the Relationship of Catalytic Activity and Structure: A Comparison Study of Three Carbonic Anhydrase Mimics
Authors: MA RENHU , SCHUETTE GEORGE F. , BROADBELT LINDA J. 
Published: September 2014

ABSTRACTDensity functional theory (DFT) calculations were used to study the mechanism of CO2 hydrolysis by Zn‐(1,5,9‐triazacyclododecane) and Zn‐cyclam and evaluate the associated thermodynamic and kinetic parameters. Microkinetic models were then built based on the kinetics and thermodynamics derived from first principles. Both catalysts showed very similar behavior to Zn‐cyclen, which we have reported previously, but with multiple distinctions. The intrinsic reaction rate constants for Zn‐(1,5,9‐triazacyclododecane) and Zn‐cyclam were calculated to be 2693 and 4623 M−1 s−1, respectively, which is in reasonable agreement with experimental values reported or estimated. The CO2 adsorption step was found to be a rate‐limiting step for all three catalysts. Zn‐cyclam has the lowest barrier for this step due to the highest pKa or nucleophilicity of the Zn‐OH− form, and, therefore, the highest intrinsic activity. However, the observed reaction rate constant also depends on the availability of the catalyst. The decrease in the observed reaction rate constant over 0–12 ms was ascribed to the decrease in the concentration of the catalytic form, Zn‐OH−, which was primarily converted to Zn‐HCO3−. The reaction rate constant of Zn‐cyclam dropped much faster than those of Zn‐cyclen and Zn‐(1,5,9‐triazacyclododecane) due to lower energy of the Zn‐HCO3− form. The conversion of CO2 at 1000 ms as a function of pH was calculated to compare the relative activity of these catalysts, and Zn‐cyclen was found to be the best catalyst.
A systematic review and meta‐analysis evaluating completeness and outcomes of robotic thyroidectomy
Authors: Lang Brian Hung‐Hin , Wong Carlos K. H. , Tsang Julian S. , Wong Kai P. , Wan Koon Y. 
Published: September 2014

Objectives/HypothesisDespite immense interest, robotic‐assisted thyroidectomy (RT) remains controversial in differentiated thyroid carcinoma (DTC). This systematic review and meta‐analysis compared surgical completeness and/or oncological outcomes between RT and open thyroidectomy (OT) in low‐risk DTC.Study DesignSystematic review.MethodsA systematic review was performed to identify studies that compared surgical completeness and/or oncological outcomes between RT and OT in DTC. Any study that compared at least one parameter relating to surgical completeness and/or oncological outcome for DTC was considered. Number of central lymph nodes (CLNs) retrieved during central neck dissection (CND), preablation stimulated thyroglobulin (sTg) level, radioiodine uptake on post‐therapy scan, and locoregional recurrence (LRR) were examined. Meta‐analysis was performed using a fixed or random‐effects model depending on heterogeneity between studies.ResultsTen studies were eligible. Of the 2,205 DTCs, 752 (34.1%) had RT, whereas 1,453 (65.9%) had OT. Relative to OT, RT had signif icantly fewer CLNs retrieved during CND (4.7 ± 3.2 vs. 5.5 ± 3.8, standardized mean difference [SMD] = −0.240, 95% confidence interval [CI]: −0.364 to −0.116, P < .001) and higher preablation sTg level (3.6 ± 6.7 ng/mL vs. 2.0 ± 5.0 ng/mL, SMD = 0.272, 95% CI: 0.022 to 0.522, P = .033). Interestingly, these differences were more evident in the robotic transaxillary approach (RTAA) than the robotic bilateral axillo‐breast approach. After a mean follow‐up of 17.7 months, no LRR was found in RT, whereas after 18.6 months, one LRR was found in OT.ConclusionsRelative to OT, total thyroidectomy by RTAA was associated with fewer CLNs retrieved and less‐complete thyroid resection. However, using RTAA is unlikely to compromise the outcomes of low‐risk DTC because of its inherently good prognosis. Laryngoscope, 125:509–518, 2015
Comparison of brain gray and white matter macromolecule resonances at 3 and 7 Tesla
Authors: Snoussi Karim , Gillen Joseph S. , Horska Alena , Puts Nicolaas A. J. , Pradhan Subechhya , Edden Richard A. E. , Barker Peter B. 
Published: September 2014

PurposeIn proton MR spectra of the human brain, relatively broad macromolecule (MM) resonances underlie the narrower signals from metabolites. The purpose of this study was to quantify the MM profile in healthy human brain at 3T and 7T, both in gray matter (anterior cingulate cortex [ACC]) and white matter (centrum semiovale [CSO]).MethodsA water‐suppressed, inversion‐recovery pulse sequence was used to null metabolite signals and acquire MM spectra in 20 healthy volunteers using very similar methodology at both field strengths (n = 5 per region and field). The MM spectra were fitted with multiple Gaussian functions and quantified relative to the unsuppressed water signal from the same volume.ResultsMM proton concentration values were in the range of 5–20 mmol/kg. No significant differences were found between the MM proton concentration measurements by region (P ≈ 0.8) nor by field strength (P ≈ 0.5). Linewidths of the well‐resolved M1 peak were slightly more than double at 7T (43.0 ± 4.7 Hz in ACC, 45.6 ± 4.1 Hz in CSO) compared with 3T (19.8 ± 3.5 Hz in ACC, 20.0 ± 4.3 Hz in CSO).ConclusionThe absence of differences in MM concentrations between white and gray matter implies that a single MM “baseline” may be adequate for spectral fitting of multiple brain regions when determining metabolite concentrations. Visibility of MM signals is similar at 3T and 7T. Magn Reson Med 74:607–613, 2015. © 2014 Wiley Periodicals, Inc.
Etoposide and carbo‐or cisplatin combination therapy in refractory or relapsed Ewing sarcoma: A large retrospective study
Authors: van Maldegem Annemiek M. , Benson Charlotte , Rutkowski Piotr , Blay Jean‐Yves , van den Berg Henk , Placzke Joanna , Rasper Meybrit , Judson Ian , Juergens Heribert , Dirksen Uta , Gelderblom Hans 
Published: September 2014

AbstractBackgroundPatients with Ewing sarcoma (EWS) who develop refractory or relapsed disease have limited treatment options. In some sarcoma centres in Europe the combination of etoposide with carbo‐ or cisplatin is being used for these patients, however, there are no published data available yet. Here we investigated the outcome of the combination treatment for patients with advanced Ewing sarcoma in progression after standard treatment.ProcedureAll patients diagnosed with EWS between 1980 and 2012 in one of six major sarcoma centres in Europe and treated with either carboplatin and etoposide or cisplatin and etoposide were included and data were retrospectively collected for analysis.ResultsA total of 107 patients enrolled in this study of which 61 received the combination of etoposide and carboplatin and 46 received etoposide and cisplatin. The median overall survival (OS) was 23 months for both patient groups and the 5‐year OS was 24.5% for the patients who received carboplatin and etoposide and 20% for those who received cisplatin and etoposide. The progression free survival was better in patients treated with the combination of carboplatin and etoposide (14.5 vs. 6.3 months P = 0.023).ConclusionThis is a retrospective study on the combination treatment of etoposide and carbo‐ or cisplatin in refractory Ewing sarcoma. The results justify exploring the combination in a prospective study with relapsed patients. Pediatr Blood Cancer 2015;62:40–44. © 2014 Wiley Periodicals, Inc.
Nuclear magnetic resonance analysis of some deuterated polypropenes
Authors: Lombardi E. , Segre A. , Zambelli A. , Marinangeli A. , Natta G. 
Published: September 2014

AbstractHigh resolution 60 and 100 Mc. NMR spectra have been obtained for a series of deuterated polypropenes with compounds of the highest sterical purity used. The fundamental parameters of the spectra (chemical shifts and coupling constants) have been accurately determined and compared with previous results available in the literature. The results may be applied to quantitative estimates of the stereoregularity of polymers not deuterated by the NMR method.
Étude de la Compatibilité des Copolymères avec les Homopolymères Correspondants. Système: Polystyrène—Polyméthacrylate de Méthyle
Authors: Banderet Albert , Tournut Claude , Riess GÉRard 
Published: September 2014

AbstractL'incompatibilité entre deux homopolymères étant de règle générale, il est intéressant d'examiner si on peut rendre compatible un mélange de deux homopolymères incompatibles en y adjoignant un des copolymères correspondant, copolymère à séquences ou copolymère statistique. Nous nous bornons ici à l'étude du système styrène–méthacrylate de méthyle, polymères atactiques, essentiellement parce qu'on n'observe pas de phénomène de cristallisadans ces systèmes. L'étude du système à l'état solide et notamment l'observation des films obtenus par évaporation des solutions, permet de situer assez bien les domaines de compatibilité. Les paramètres essentiels de la compatibilité des mélanges copolymères–homopolymères sont leur composition et, par ailleurs, les masses moléculaires et la structure du copolymère. Les diagrammes ternaires, pour les mélanges de deux homopolymères et d'un copolymère, montrent nettement que les copolymères séquencés sont les seuls à assurer une certaine compatibilité, surtout si ce copolymère a une composition avoisinant 50–50 et si les homopolymères ont des masses moléculaires inféireures à celles des séquences. Les autres copolymères greffés ou statistiques sont pratiquement sans effet.