bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spreading rate‐dependent variations in crystallization along the global mid‐ocean ridge system
Authors: Wanless V. Dorsey , Behn Mark D. 
Published: July 2017

AbstractWe investigate crustal accretion at mid‐ocean ridges by combining crystallization pressures calculated from major element contents in mid‐ocean ridge basalt (MORB) glasses and vapor‐saturation pressures from melt inclusions and MORB glasses. Specifically, we use established major element barometers and pressures estimated from 192 fractional crystallization trends to calculate crystallization pressures from >9000 MORB glasses across the global range of mid‐ocean ridge spreading rates. Additionally, we estimate vapor‐saturation pressures from >400 MORB glasses from PETDB and >400 olivine‐hosted melt inclusions compiled from five ridges with variable spreading rates. Both major element and vapor‐saturation pressures increase and become more variable with decreasing spreading rate. Vapor saturation pressures indicate that crystallization occurs in the lower crust and upper mantle at all ridges, even when a melt lens is present. We suggest that the broad peaks in major element crystallization pressures at all spreading rates reflects significant crystallization of on and off‐axis magmas along the base of a sloping lithosphere. Combining our observations with ridge thermal models we show that crystallization occurs over a range of pressures at all ridges, but it is enhanced at thermal/rheologic boundaries, such as the melt lens and the base of the lithosphere. Finally, we suggest that the remarkable similarity in the maximum vapor‐saturation pressures (∼3 kbars) recorded in melt inclusions from a wide range of spreading rates reflects a relatively uniform CO2 content of 50–85 ppm for the depleted upper mantle feeding the global mid‐ocean ridge system.
Temperature dependence of stable carbon kinetic isotope effect for the oxidation reaction of ethane by OH radicals: Experimental and theoretical studies
Authors: Piansawan T. , Saccon M. , Vereecken L. , Gensch I. , Kiendler‐Scharr A. 
Published: July 2017

AbstractThe stable carbon kinetic isotope effect (KIE) of ethane photooxidation by OH radicals was deduced by employing both laboratory measurements and theoretical calculations. The investigations were designed to elucidate the temperature dependence of KIE within atmospherically relevant temperature range. The experimental KIE was derived from laboratory compound‐specific isotope analyses of ethane with natural isotopic abundance exposed to OH at constant temperature, showing ε values of 7.16 ± 0.54‰ (303 K), 7.45 ± 0.48‰ (288 K), 7.36 ± 0.28‰ (273 K), 7.61 ± 0.28‰ (263 K), 8.89 ± 0.90‰ (253 K), and 9.42 ± 2.19‰ (243 K). Compared to previous studies, a significant improvement of the measurement precision was reached at the high end of the investigated temperature range. The KIE was theoretically determined as well, in the temperature range of 150 K to 400 K, by calculating the reaction rate coefficients of 12C and singly 13C substituted ethane isotopologues applying chemical quantum mechanics together with transition state theory. Tunneling effect and internal rotations were also considered. The agreement between experimental and theoretical results for rate coefficients and KIE in an atmospherically relevant temperature range is discussed. However, both laboratory observations and computational predictions show no significant temperature dependence of the KIE for the ethane oxidation by OH radicals.
Predictive performance of rainfall thresholds for shallow landslides in Switzerland from gridded daily data
Authors: Leonarduzzi Elena , Molnar Peter , McArdell Brian W. 
Published: July 2017

AbstractA high‐resolution gridded daily precipitation data set was combined with a landslide inventory containing over 2000 events in the period 1972–2012 to analyze rainfall thresholds which lead to landsliding in Switzerland. We colocated triggering rainfall to landslides, developed distributions of triggering and nontriggering rainfall event properties, and determined rainfall thresholds and intensity‐duration ID curves and validated their performance. The best predictive performance was obtained by the intensity‐duration ID threshold curve, followed by peak daily intensity Imax and mean event intensity Imean. Event duration by itself had very low predictive power. A single country‐wide threshold of Imax = 28 mm/d was extended into space by regionalization based on surface erodibility and local climate (mean daily precipitation). It was found that wetter local climate and lower erodibility led to significantly higher rainfall thresholds required to trigger landslides. However, we showed that the improvement in model performance due to regionalization was marginal and much lower than what can be achieved by having a high‐quality landslide database. Reference cases in which the landslide locations and timing were randomized and the landslide sample size was reduced showed the sensitivity of the Imax rainfall threshold model. Jack‐knife and cross‐validation experiments demonstrated that the model was robust. The results reported here highlight the potential of using rainfall ID threshold curves and rainfall threshold values for predicting the occurrence of landslides on a country or regional scale with possible applications in landslide warning systems, even with daily data.
Copper(I)‐Catalyzed Synthesis of 4,5‐Dihydropyrazolo[1,5‐a]pyrimidines via Cascade Transformation of N‐Propargylic Sulfonylhydrazones with Sulfonyl Azides
Authors: Ding Zong‐Cang , An Xiao‐Ming , Zeng Jia‐Hao , Tang Zhao‐Ning , Zhan Zhuang‐Ping 
Published: July 2017

AbstractA rapid and effective approach to 4‐tosyl‐4,5‐dihydropyrazolo[1,5‐a]pyrimidines via copper‐catalyzed one‐pot cascade transformation of N‐propargylic sulfonylhydrazones with sulfonyl azides under mild conditions has been developed. This process relies on the copper‐catalyzed azide‐alkyne cycloaddition (CuAAC) and intramolecular [4+2] cycloaddition of α,β‐unsaturated hydrazone with the in situ generated ketenimine intermediate, affording the useful bicyclization products with high efficiency.magnified image
Individuals with sickle cell disease have a significantly greater vasoconstriction response to thermal pain than controls and have significant vasoconstriction in response to anticipation of pain
Authors: Khaleel Maha , Puliyel Mammen , Shah Payal , Sunwoo John , Kato Roberta M. , Chalacheva Patjanaporn , Thuptimdang Wanwara , Detterich Jon , Wood John C. , Tsao Jennie , Zeltzer Lonnie , Sposto Richard , Khoo Michael C. K. , Coates Thomas D. 
Published: July 2017

AbstractThe painful vaso‐occlusive crises (VOC) that characterize sickle cell disease (SCD) progress over hours from the asymptomatic steady‐state. SCD patients report that VOC can be triggered by stress, cold exposure, and, pain itself. We anticipated that pain could cause neural‐mediated vasoconstriction, decreasing regional blood flow and promoting entrapment of sickle cells in the microvasculature. Therefore, we measured microvascular blood flow in the fingers of both hands using plethysmography and laser‐Doppler flowmetry while applying a series of painful thermal stimuli on the right forearm in 23 SCD patients and 25 controls. Heat pain applied to one arm caused bilateral decrease in microvascular perfusion. The vasoconstriction response started before administration of the thermal pain stimulus in all subjects, suggesting that pain anticipation also causes significant vasoconstriction. The time delay between thermal pain application and global vasoconstriction ranged from 5 to 15.5 seconds and increased with age (P < .01). Although subjective measures, pain threshold and pain tolerance were not different between SCD subjects and controls, but the vaso‐reactivity index characterizing the microvascular blood flow response to painful stimuli was significantly higher in SCD patients (P = .0028). This global vasoconstriction increases microvascular transit time, and may promote entrapment of sickle cells in the microvasculature, making vaso‐occlusion more likely. The rapidity of the global vasoconstriction response indicates a neural origin that may play a part in the transition from steady‐state to VOC, and may also contribute to the variability in VOC frequency observed in SCD patients.
Fine Tuning of MOF‐505 Analogues To Reduce Low‐Pressure Methane Uptake and Enhance Methane Working Capacity
Authors: Zhang Mingxing , Zhou Wei , Pham Tony , Forrest Katherine A. , Liu Wenlong , He Yabing , Wu Hui , Yildirim Taner , Chen Banglin , Space Brian , Pan Yi , Zaworotko Michael J. , Bai Junfeng 
Published: July 2017

AbstractWe present a crystal engineering strategy to fine tune the pore chemistry and CH4‐storage performance of a family of isomorphic MOFs based upon PCN‐14. These MOFs exhibit similar pore size, pore surface, and surface area (around 3000 m2 g−1) and were prepared with the goal to enhance CH4 working capacity. [Cu2(L2)(H2O)2]n (NJU‐Bai 41: NJU‐Bai for Nanjing University Bai's group), [Cu2(L3)(H2O)2]n (NJU‐Bai 42), and [Cu2(L4)(DMF)2]n (NJU‐Bai 43) were prepared and we observed that the CH4 volumetric working capacity and volumetric uptake values are influenced by subtle changes in structure and chemistry. In particular, the CH4 working capacity of NJU‐Bai 43 reaches 198 cm3 (STP: 273.15 K, 1 atm) cm−3 at 298 K and 65 bar, which is amongst the highest reported for MOFs under these conditions and is much higher than the corresponding value for PCN‐14 (157 cm3 (STP) cm−3).
Colloidal Synthesis of Silicon–Carbon Composite Material for Lithium‐Ion Batteries
Authors: Su Haiping , Barragan Alejandro A. , Geng Linxiao , Long Donghui , Ling Licheng , Bozhilov Krassimir N. , Mangolini Lorenzo , Guo Juchen 
Published: July 2017

AbstractWe report colloidal routes to synthesize silicon@carbon composites for the first time. Surface‐functionalized Si nanoparticles (SiNPs) dissolved in styrene and hexadecane are used as the dispersed phase in oil‐in‐water emulsions, from which yolk–shell and dual‐shell hollow SiNPs@C composites are produced via polymerization and subsequent carbonization. As anode materials for Li‐ion batteries, the SiNPs@C composites demonstrate excellent cycling stability and rate performance, which is ascribed to the uniform distribution of SiNPs within the carbon hosts. The Li‐ion anodes composed of 46 wt % of dual‐shell SiNPs@C, 46 wt % of graphite, 5 wt % of acetylene black, and 3 wt % of carboxymethyl cellulose with an areal loading higher than 3 mg cm−2 achieve an overall specific capacity higher than 600 mAh g−1, which is an improvement of more than 100 % compared to the pure graphite anode. These new colloidal routes present a promising general method to produce viable Si–C composites for Li‐ion batteries.
Selective Palladium(II)‐Catalyzed Carbonylation of Methylene β‐C−H Bonds in Aliphatic Amines
Authors: Cabrera‐Pardo Jaime R. , Trowbridge Aaron , Nappi Manuel , Ozaki Kyohei , Gaunt Matthew J. 
Published: July 2017

AbstractPalladium(II)‐catalyzed C−H carbonylation reactions of methylene C−H bonds in secondary aliphatic amines lead to the formation of trans‐disubstituted β‐lactams in excellent yields and selectivities. The generality of the C−H carbonylation process is aided by the action of xantphos‐based ligands and is important in securing good yields for the β‐lactam products.
Palladium‐Catalyzed Suzuki–Miyaura Cross‐Coupling of Secondary α‐(Trifluoromethyl)benzyl Tosylates
Authors: Brambilla Marta , Tredwell Matthew 
Published: July 2017

AbstractA palladium‐catalyzed C(sp3)−C(sp2) Suzuki–Miyaura cross‐coupling of aryl boronic acids and α‐(trifluoromethyl)benzyl tosylates is reported. A readily available, air‐stable palladium catalyst was employed to access a wide range of functionalized 1,1‐diaryl‐2,2,2‐trifluoroethanes. Enantioenriched α‐(trifluoromethyl)benzyl tosylates were found to undergo cross‐coupling to give the corresponding enantioenriched cross‐coupled products with an overall inversion in configuration. The crucial role of the CF3 group in promoting this transformation is demonstrated by comparison with non‐fluorinated derivatives.
Drug transport in stimuli responsive acrylic and methacrylic interpenetrating polymer networks
Authors: Simeonov Marin , Monova Antonia , Kostova Bistra , Vassileva Elena 
Published: July 2017

ABSTRACTThe interpenetrating polymer networks (IPNs) are recently gaining attention as sustained drug delivery systems because they could ensure a proper combination of functionality and network density to control the drug release profiles. This study aims to reveal how the functionality of two IPNs based on polyacrylamide and respectively poly(acrylic acid) (PAA) and poly(methacrylic acid) (PMAA) influences their smart behavior as well as their properties as delivery systems of the cationic drug verapamil hydrochloride (VPM). The “extra” α‐methyl group of PMAA results into a loss of the temperature sensitivity in the studied region and changes the pH responsivity of the PMAA/PAAM IPNs as compared to the PAA/PAAM IPNs. Moreover, the VPM diffusion in both IPNs depends on their composition due to the change in their functionality as well as of their network density. The “extra” α‐methyl group of PMAA defines its enhanced hydrophobicity and hence influences the VPM diffusion mechanism. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45380.
A statistical approach to evaluate the oxidative process of electrospun polyacrylonitrile ultrathin fibers
Authors: Santos de Oliveira Junior Mauro , Manzolli Rodrigues Bruno Vinícius , Marcuzzo Jossano Saldanha , Guerrini Lília Müller , Baldan Maurício Ribeiro , Rezende Mirabel Cerqueira 
Published: July 2017

ABSTRACTA systematic study using design of experiments was applied in order to map out the thermal stabilization of electrospun polyacrylonitrile mats and to investigate how oxidation and cyclization reactions are affected by rate, temperature, and time in an oxidative environment. Cyclization indexes were estimated by a simple methodology based on differential scanning calorimetry (DSC) and Fourier transform infrared spectroscopy data. Values of enthalpy and relative intensities of bands assigned to CN and CN bonds were used on calculation. The statistical planning applied in this study was important to show that not always longest treatment is effective to stabilize polyacrylonitrile, but also samples obtained in less than 3 h presented low values of exothermic peak on DSC, values of cyclization indexes near to 90%, both from DSC and Fourier transform infrared spectroscopy techniques, reduced weight loss in thermogravimetric analysis and O/C ratio higher than 10% by X‐ray photoelectron spectroscopy, that are appreciated characteristics to a precursor of high‐performance carbon materials. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45458.
Fluorine containing self‐crosslinking acrylic latexes with reduced flammability and their application as polymer binders for heterogeneous cation‐exchange membranes
Authors: Machotova Jana , Stranska Eliska , Skornok Jiri , Zarybnicka Lucie , Melanova Klara , Rychly Jozef , Ruckerova Adela 
Published: July 2017

ABSTRACTIn this study, self‐crosslinking core–shell latexes comprising copolymerized perfluorethyl groups and a novel flame retardant based on phosphazene derivative were prepared by the semi‐continuous non‐seeded emulsion polymerization of 2,2,2‐trifluorethyl methacrylate, methyl methacrylate, butyl acrylate, methacrylic acid, and hexaallylamino‐cyclo‐triphosphazene as main monomers. For interfacial crosslinking, diacetone acrylamide was copolymerized into the shell layer of latex particles to provide sites for subsequent reaction with adipic acid dihydrazide. The heterogeneous cation‐exchange membranes were obtained by dispersing commercial strong acid cation‐exchange resin powder in the latex binder and casting the mixture followed by keto‐hydrazide crosslinking reaction. It was found that the increased concentration of fluorine atoms and phosphazene units in the macromolecular structure of interfacially crosslinked emulsion polymers resulted in a significant enhancement of their flame resistance and shape stability in aqueous environment. Moreover, the easily prepared heterogeneous cation‐exchange membranes based on latexes with higher amounts of fluorine and phosphazene units were shown to exhibit satisfactory physicochemical and electrochemical properties. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45467.
Opportunities and challenges of real‐time release testing in biopharmaceutical manufacturing
Authors: Jiang Mo , Severson Kristen A. , Love John Christopher , Madden Helena , Swann Patrick , Zang Li , Braatz Richard D. 
Published: July 2017

AbstractReal‐time release testing (RTRT) is defined as “the ability to evaluate and ensure the quality of in‐process and/or final drug product based on process data, which typically includes a valid combination of measured material attributes and process controls” (ICH Q8[R2]). This article discusses sensors (process analytical technology, PAT) and control strategies that enable RTRT for the spectrum of critical quality attributes (CQAs) in biopharmaceutical manufacturing. Case studies from the small‐molecule and biologic pharmaceutical industry are described to demonstrate how RTRT can be facilitated by integrated manufacturing and multivariable control strategies to ensure the quality of products. RTRT can enable increased assurance of product safety, efficacy, and quality—with improved productivity including faster release and potentially decreased costs—all of which improve the value to patients. To implement a complete RTRT solution, biologic drug manufacturers need to consider the special attributes of their industry, particularly sterility and the measurement of viral and microbial contamination. Continued advances in on‐line and in‐line sensor technologies are key for the biopharmaceutical manufacturing industry to achieve the potential of RTRT.Related article: http://onlinelibrary.wiley.com/doi/10.1002/bit.26378/full
Coupling the pretreatment and hydrolysis of lignocellulosic biomass by the expression of beta‐xylosidases
Authors: Martín Pérez Lucía , Benítez Casanova Laura , Moreno Pérez Antonio J. , Pérez Gómez Dolores , Gavaldá Martín Sandra , Ledesma‐García Laura , Valbuena Crespo Noelia , Díez García Bruno , Reyes‐Sosa Francisco M. 
Published: July 2017

AbstractThermochemical pretreatment and enzymatic hydrolysis are the areas contributing most to the operational costs of second generation ethanol in lignocellulosic biorefineries. The improvement of lignocellulosic enzyme cocktails has been significant in the recent years. Although the needs for the reduction of the energy intensity and chemical consumption in the pretreatment step are well known, the reduction of the severity of the process strongly affects the enzymatic hydrolysis yield. To explore the formulation requirements of the well known cellulolytic cocktail from Myceliophthora thermophila on mild pretreated raw materials, this cocktail was tested on steam exploded corn stover without acid impregnation. The low hemicellulose yield and significant accumulation of xylobiose compared with the standard pretreated material obtained with dilute acid impregnation evidenced a clear limitation in the conversion of xylan to xylose. In order to complement the beta‐xylosidase limitation, a selection of enzymes was expressed and tested in this fungus. A controlled expression of xylosidases from Aspergillus nidulans, Aspergillus fumigatus, and Fusarium oxysporum allowed recovering hemicellulose yields reached with standard acid treated material. The results underline the need of parallel development of the pretreatment process with the optimization of the formulation of the enzymatic cocktails.
Mechanisms of breast cancer risk in shift workers: association of telomere shortening with the duration and intensity of night work
Authors: Samulin Erdem Johanna , Notø Heidi Ødegaard , Skare Øivind , Lie Jenny‐Anne S. , Petersen‐Øverleir Marte , Reszka Edyta , Pepłońska Beata , Zienolddiny Shanbeh 
Published: July 2017

AbstractOccupational factors such as shiftwork and especially night work that involves disruption of the circadian rhythm may contribute to increased breast cancer risk. Circadian disruption may also affect telomere length (TL). While short TL generally is associated with increased cancer risk, its association with breast cancer risk is inconclusive. We suggest that working schedules might be an important factor in assessment of effects of TL on breast cancer risk. Moreover, telomere shortening might be a potential mechanism for night work‐related breast cancer. In this study, effects of shift work on TL and its association with breast cancer risk were investigated in a nested breast cancer case–control study of Norwegian nurses. TL was assessed by qPCR in DNA from 563 breast cancer patients and 619 controls. Here, we demonstrate that TL is affected by intensive night work schedules, as work with six consecutive night for a period of more than 5 years was associated with decreased telomere lengths (−3.18, 95% CI: −6.46 to −0.58, P = 0.016). Furthermore, telomere shortening is associated with increased breast cancer risk in workers with long periods of consecutive night shifts. Thus, nurses with longer telomere lengths had a lower risk for breast cancer if they had worked more than four (OR: 0.37, 95% CI: 0.16–0.79, P = 0.014) or five (OR: 0.31, 95% CI: 0.10–0.83, P = 0.029) consecutive night shifts for a period of 5 years or more. These data suggest that telomere shortening is associated with the duration and intensity of night work and may be a contributing factor for breast cancer risk among female shift workers.
Hormone factors play a favorable role in female head and neck cancer risk
Authors: Hashim Dana , Sartori Samantha , Vecchia Carlo La , Serraino Diego , Maso Luigino Dal , Negri Eva , Smith Elaine , Levi Fabio , Boccia Stefania , Cadoni Gabriella , Luu Hung N. , Lee Yuan‐Chin Amy , Hashibe Mia , Boffetta Paolo 
Published: July 2017

AbstractDue to lower female incidence, estimates of exogenous and endogenous hormonal factors in head and neck cancers (HNCs, comprising cancers of the oral cavity, oropharynx, hypopharynx, and larynx) among women have been inconsistent and unable to account for key HNC risk factors. We pooled data from 11 studies from Europe, North America, and Japan. Analysis included 1572 HNC female cases and 4343 controls. Pooled odds ratios (ORs) estimates and their 95% confidence intervals (CIs) were calculated using multivariate logistic regression models adjusting for tobacco smoking and alcohol drinking. Lower risk was observed in women who used hormone replacement therapy (HRT) (OR = 0.58; 95% CI: 0.34–0.77). Pregnancy (OR = 0.61; 95% CI: 0.42–0.90) and giving birth (OR = 0.59; 95% CI: 0.38–0.90) at <35 years of age were inversely associated with HNCs. An inverse association with HNC was observed with age at start of HRT use (OR = 0.59; 95% CI: 0.39–0.90) for each additional 10 years and with duration of use (OR = 0.87; 95% CI: 0.76–0.99 for every 3 years). Exogenous female hormone use is associated with a nearly twofold risk reduction in female HNCs. The lower female HNC incidence may, in part, be explained by endogenous and exogenous estrogen exposures.