bluuebunny/crossref_metadata_2025_split huggingface dataset:
On Factors Influencing Air‐Water Gas Exchange in Emergent Wetlands
Authors: Ho David T. , Engel Victor C. , Ferrón Sara , Hickman Benjamin , Choi Jay , Harvey Judson W. 
Published: January 2018

AbstractKnowledge of gas exchange in wetlands is important in order to determine fluxes of climatically and biogeochemically important trace gases and to conduct mass balances for metabolism studies. Very few studies have been conducted to quantify gas transfer velocities in wetlands, and many wind speed/gas exchange parameterizations used in oceanographic or limnological settings are inappropriate under conditions found in wetlands. Here six measurements of gas transfer velocities are made with SF6 tracer release experiments in three different years in the Everglades, a subtropical peatland with surface water flowing through emergent vegetation. The experiments were conducted under different flow conditions and with different amounts of emergent vegetation to determine the influence of wind, rain, water flow, waterside thermal convection, and vegetation on air‐water gas exchange in wetlands. Measured gas transfer velocities under the different conditions ranged from 1.1 cm h−1 during baseline conditions to 3.2 cm h−1 when rain and water flow rates were high. Commonly used wind speed/gas exchange relationships would overestimate the gas transfer velocity by a factor of 1.2 to 6.8. Gas exchange due to thermal convection was relatively constant and accounted for 14 to 51% of the total measured gas exchange. Differences in rain and water flow among the different years were responsible for the variability in gas exchange, with flow accounting for 37 to 77% of the gas exchange, and rain responsible for up to 40%.
Contrasting Patterns in Abrupt Asian Summer Monsoon Changes in the Last Glacial Period and the Holocene
Authors: Liu Dianbing , Wang Yongjin , Cheng Hai , Edwards R. L. , Kong Xinggong , Chen Shitao , Liu Shushuang 
Published: January 2018

AbstractDetailed Asian summer monsoon (ASM) variability across Heinrich stadials (HSs) 5 to 2 was reconstructed from four stalagmite oxygen isotopic (δ18O) records in central and southern China. For the last glacial period, these speleothem records, combined with previous cave records, reveal a rapid ASM decline at the onset of each HS. During this time, ASM intensity decreases immediately to the weakest level within approximately 50 years, which is followed by a gradual intensification in the mid‐HS. Typically, this process of ASM weakening is synchronous with peak ice‐rafted debris deposition and large freshwater outbursts into the North Atlantic, implying a tight link between the two. During the Holocene, however, a relatively gradual ASM decrease occurred at the start of the Bond events. Comparatively, the ASM decrease during the Bond events is generally accomplished within 110 years, and the weakest ASM occurs near the end. This difference implicates a further southward displacement of the Intertropical Convergence Zone and a stronger impact from the Atlantic meridional overturning circulation on the ASM in the early HS. Moreover, contrasting expressions of the ASM during HSs and Bond events suggest that a fixed phase relationship during bipolar climate changes cannot be expected.
Synthesis and Analysis of Substituted Bullvalenes
Authors: Yahiaoui Oussama , Pašteka Lukáš F. , Judeel Bernadette , Fallon Thomas 
Published: January 2018

AbstractHerein we detail a practical synthesis of bullvalene and a variety of mono‐ and disubstituted analogues through cobalt‐catalysed [6+2] cycloaddition of cyclooctatetraene to alkynes, followed by photochemical di‐π‐methane rearrangement. The application of isomer‐network analysis, coupled with quantum‐chemical calculations, provides a powerful automated tool for predicting the properties of bullvalene isomer networks.
Orientation Control of Molecularly Functionalized Surfaces Applied to the Simultaneous Alignment and Sorting of Carbon Nanotubes
Authors: Selmani Serxho , Schipper Derek J. 
Published: January 2018

AbstractSelf‐assembly has been relied upon for molecular alignment in many advanced technological applications. However, although effective, it is inherently limited in its capability for optimization. Despite the potential benefits, the seemingly fundamental strategy of external orientation control has yet to be realized. Herein we demonstrate an approach that allows control of the orientation of small molecules covalently bound to a surface. The method exploits an alignment relay technique, passing alignment information through a liquid‐crystal medium to small molecules to control surface functionalization events. The method is technically simple and can be carried out on a bench top without the need for specialized equipment. Moreover, we demonstrate the utility of the resulting surfaces to address two long‐standing problems in nanoscience: the sorting and alignment of single‐walled carbon nanotubes. This new method enabled significant alignment of the nanotubes as well as length and diameter sorting.
Synthesis and characterization of poly(aminobismaleimide)s obtained from solvent‐free mixtures
Authors: Soisson Arnaud , Chikh Linda , Banet Philippe , Morelle Jean‐Michel , Fichet Odile 
Published: January 2018

ABSTRACTA series of eight poly(aminobismaleimide)s containing aromatic units have been synthesized from a one‐step nucleophilic addition reaction between diamine and bismaleimide, without exogeneous solvent, to provide encapsulant withstanding high temperature suitable for power electronics. To have a homogeneous medium at room temperature, the solid aromatic diamines are first mixed with different liquid aliphatic ones, and then mixed with bismaleimide. The syntheses were then carried out at 175 °C for 15 min. Thus, according to their composition, these obtained thermosetting resins are characterized by a relaxation temperature between 98 and 190 °C and a coefficient of thermal expansion between 20 and 150 ppm/K. All material surfaces are hydrophobic and their moisture uptake is lower than 2–3 wt %. Finally, as expected, the substitution of a part of the aliphatic diamine by an aromatic one improves the thermal stability under air atmosphere of the resulting materials (Td = 280–300 °C increased to Td = 315–340 °C). Their use as power module encapsulant can therefore be considered. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46105.
Effect of block copolymer containing ionic liquid moiety on interfacial polarization in PLA/PCL blends
Authors: Wang Ping , Xu Pei , Wei Haibing , Fang Huagao , Ding Yunsheng 
Published: January 2018

ABSTRACTCompared with poly(ɛ‐caprolactone)‐b‐poly(ethylene glycol) block copolymer (BC), a systematic study of the effect of the concentration of the compatibilizer, poly(ɛ‐caprolactone)‐b‐poly(ethylene glycol) BC containing ionic liquid moiety (BCIL), on the interfacial properties of a phase separating blend of poly(l‐lactic acid)/poly(ɛ‐caprolactone) (PLA/PCL) was performed. BCIL copolymer as a compatibilizer for immiscible PLA/PCL blend can reinforce the interactions between the two polymeric phases by the IL electrostatic interaction at interphase, and the particle size of PCL decreases because of interfacial reinforced‐compatibilization of IL moiety. Ion mobility of IL moiety at interphase and PCL phase for PLA/PCL/BCIL blend can induce interfacial blocking of charge carriers, and IL moiety segregating mainly at the interface can decrease the relaxation rate and increase the dielectric strength of interfacial polarization. Our results provide a methodology to characterize and tune the morphology and blocking of charge carriers with the aim of tailoring the dielectric interfacial properties of blends. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46161.
Preparation of silica/poly(styrene‐co‐butyl acrylate) core/shell composite particles for absorption of toluene
Authors: Dong Xiaojie , Li Xiao , Xie Zhenpeng , Weng Sen , Zhang Weiying , Ying Xiaoguang 
Published: January 2018

ABSTRACTAn absorbent for benzene series with silica/poly(styrene‐co‐butyl acrylate) core/shell structure was prepared via emulsion polymerization. The effects of emulsifier dosage, monomer concentration, and crosslinker dosage on the absorption of the core/shell composite particles were investigated. The composite particles with good absorbency could be obtained when the emulsifier concentration was 2.5 g/L, monomer concentration was 40 g/L, crosslinker dosage was 2.0% (based on the total mass of the monomer), and the initiator dosage was 1.0%. The composite particles exhibited a rapid absorption and the absorption process conformed to the quasi‐second order kinetics. Fourier‐transform infrared spectroscopy, scanning electron microscope, and energy dispersive spectrometer (EDS) showed the presence of copolymer layer on the surface of silica. The work provided a new path to fabricate novel composite absorbent particles for a wide range of applications. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46172.
Effect of triazole‐tryptophan hybrid on the conformation stability of bovine serum albumin
Authors: Aneja Babita , Kumari Meena , Azam Amir , Kumar Amit , Abid Mohammad , Patel Rajan 
Published: January 2018

AbstractThe effect of a potent antimicrobial compound bearing 1,2,3‐triazole core and a tryptophan tail, triazole‐tryptophan hybrid (TTH), with bovine serum albumin (BSA) have been explored using various spectroscopic and molecular docking methods. Studies revealed that TTH strongly quenches the intrinsic fluorophore of BSA by a static quenching mechanism. Time‐resolved fluorescence spectra further confirmed the involvement of static quenching for TTH–BSA system. The calculated thermodynamic parameters; ΔH, ΔS, and ΔG showed that the binding process was spontaneous, exothermic and entropy driven. Synchronous fluorescence, three‐dimensional (3D) fluorescence and circular dichroism data revealed that TTH induces the structural alteration in BSA and enhances its stability. In silico study of TTH–BSA system showed that it binds with BSA at the site I of subdomain IIA. Both the experimental and in silico study showed that the hydrophobic and electrostatic interactions play a major role in TTH–BSA binding.
Progressive multiple sclerosis, cognitive function, and quality of life
Authors: Højsgaard Chow Helene , Schreiber Karen , Magyari Melinda , Ammitzbøll Cecilie , Börnsen Lars , Romme Christensen Jeppe , Ratzer Rikke , Soelberg Sørensen Per , Sellebjerg Finn 
Published: January 2018

AbstractBackgroundPatients with progressive multiple sclerosis (MS) often have cognitive impairment in addition to physical impairment. The burden of cognitive and physical impairment progresses over time, and may be major determinants of quality of life. The aim of this study was to assess to which degree quality of life correlates with physical and cognitive function in progressive MS.MethodsThis is a retrospective study of 52 patients with primary progressive (N = 18) and secondary progressive MS (N = 34). Physical disability was assessed using the Expanded Disability Status Scale, Timed 25 Foot Walk (T25FW) test and 9‐Hole Peg Test (9HPT). Cognitive function was assessed using Symbol Digit Modalities Test (SDMT), Paced Auditory Serial Addition Test, and Trail Making Test B (TRAIL‐B). In addition, quality of life was assessed by the Short Form 36 (SF‐36) questionnaire.ResultsOnly measures of cognitive function correlated with the overall SF‐36 quality of life score and the Mental Component Summary score from the SF‐36. The only physical measure that correlated with a measure of quality of life was T25FW test, which correlated with the Physical Component Summary from the SF‐36. We found no other significant correlations between the measures of cognitive function and the overall physical measures but interestingly, we found a possible relationship between the 9HPT score for the nondominant hand and the SDMT and TRAIL‐B.ConclusionOur findings support inclusion of measures of cognitive function in the assessment of patients with progressive MS as these correlated closer with quality of life than measures of physical impairment.
A Thiolactone Strategy for Straightforward Synthesis of Disulfide‐Linked Side‐Chain‐to‐Tail Cyclic Peptides Featuring an N‐Terminal Modification Handle
Authors: Van Lysebetten Dorien , Felissati Stefania , Antonatou Eirini , Carrette Lieselot L. G. , Espeel Pieter , Focquet Evelien , Du Prez Filip E. , Madder Annemieke 
Published: January 2018

AbstractThe development of straightforward and versatile peptide cyclisation methods is highly desired to meet the demand for more stable peptide‐based drugs. Herein, a new method for the synthesis of side‐chain‐to‐tail cyclic peptides with the simultaneous introduction of an N‐terminal handle, based on the introduction of an N‐terminal thiolactone building block, is described. A primary amine liberates a homocysteine analogue from the thiolactone building block, which further enables cyclisation of the peptide through disulfide‐bond formation with a C‐terminal cysteamine. Postcyclisation modification can be achieved by using small bifunctional amines. Alternatively, the synthesis of lipopeptides is demonstrated through direct thiolactone opening with long‐chain alkyl amines.
Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate
Authors: Judge Russell A. , Vasudevan Anil , Scott Victoria E. , Simler Gricelda H. , Pratt Steve D. , Namovic Marian T. , Putman C. Brent , Aguirre Ana , Stoll Vincent S. , Mamo Mulugeta , Swann Steven I. , Cassar Steven C. , Faltynek Connie R. , Kage Karen L. , Boyce‐Rustay Janel M. , Hobson Adrian D. 
Published: January 2018

AbstractWe describe the design, synthesis, and structure–activity relationships (SARs) of a series of 2‐aminobenzothiazole inhibitors of Rho kinases (ROCKs) 1 and 2, which were optimized to low nanomolar potencies by use of protein kinase A (PKA) as a structure surrogate to guide compound design. A subset of these molecules also showed robust activity in a cell‐based myosin phosphatase assay and in a mechanical hyperalgesia in vivo pain model.
In situ Formed Co(TCNQ)2 Metal‐Organic Framework Array as a High‐Efficiency Catalyst for Oxygen Evolution Reactions
Authors: Wei Yicheng , Ren Xiang , Ma Hongmin , Sun Xu , Zhang Yong , Kuang Xuan , Yan Tao , Wu Dan , Wei Qin 
Published: January 2018

AbstractEnergy conversion and storage systems such as water splitting devices and metal‐air batteries need excellent and energy‐efficiency oxygen evolution reaction (OER) catalysts. This work reports the in situ development of sawtooth‐like Co(TCNQ)2 (TCNQ=tetracyanoquinodimethane) metal–organic framework array on Co foil (Co(TCNQ)2/Co) by means of a solution immersion method at room temperature. As an oxygen‐evolving catalyst, the resulting Co(TCNQ)2/Co demonstrates superior OER activity with overpotential of 310 mV to drive a geometrical catalytic current density of 15 mA cm−2 in 1.0 M KOH. Notably, it also shows good long‐term electrochemical durability with its activity being retained for at least 20 h and achieves a high turnover frequency of 0.66 mol O2 s−1 at overpotential of 380 mV.
A Solution‐Processed Transparent NiO Hole‐Extraction Layer for High‐Performance Inverted Perovskite Solar Cells
Authors: Tang Li Juan , Chen Xiao , Wen Tian Yu , Yang Shuang , Zhao Jun Jie , Qiao Hong Wei , Hou Yu , Yang Hua Gui 
Published: January 2018

AbstractA highly transparent NiO layer was prepared by a solution processing method with nickel(II) 2‐ethylhexanoate in non‐polar solvent and utilized as HTM in perovskite solar cells. Excellent optical transmittance and the matched energy level lead to the enhanced power conversion efficiency (PCE, 18.15 %) than that of conventional sol–gel‐processed NiO‐based device (12.98 %).
Real‐Time Visualization of Lysosome Destruction Using a Photosensitive Toluidine Blue Nanogel
Authors: Zhang Weiqi , Tung Ching‐Hsuan 
Published: January 2018

AbstractBreaking the lysosome helps its sequestered payloads access their molecular targets in cells and thus enhances the intracellular drug delivery. Current strategies for lysosomal escape involve direct physical interactions with the lipid membrane. These interactions pose a systemic toxicity and uncontrolled membrane rupture risk. Here, we report a light‐detonated lysosome disruption using a hyaluronan (HA) nanogel packed with toludine blue (TB). The HA/TB nanogel is concentrated within the lysosomes. The applied light assists TB in generating reactive oxygen species and destroying the lysosome in situ, both in cells and isolated lysosomes. Real time fluorescent tracking reveals that quenched TB fluorescence recovers along with lysosome explosion, relocates to the nucleus, and is presented as a fluorescent sparkling in cells. This HA/TB, composed of all clinically approved materials, represents a biocompatible and facile strategy to “bomb” lysosomes in a spatiotemporally controlled fashion.
Covalent Bonding of Chlorogenic Acid Induces Structural Modifications on Sunflower Proteins
Authors: Karefyllakis Dimitris , Salakou Stavroula , Bitter J. Harry , van der Goot Atze J. , Nikiforidis Constantinos V. 
Published: January 2018

AbstractProteins and phenols coexist in the confined space of plant cells leading to reactions between them, which result in new covalently bonded complex molecules. This kind of reactions has been widely observed during storage and processing of plant materials. However, the nature of the new complex molecules and their physicochemical properties are largely unknown. Therefore, we investigated the structural characteristics of covalently bonded complexes between sunflower protein isolate (SFPI, protein content 85 wt %) and the dominant phenol in the confined space of a sunflower seed cell (chlorogenic acid, CGA). It was shown that the efficiency of bond formation goes through a maximum as a function of the SFPI:CGA ratio. Moreover, the bonding of CGA with proteins resulted in changes in the secondary and tertiary structure of the protein. It was also shown that the phenol bound strongly to the protein, which resulted in new crosslinks between the polypeptide chains. As a result, secondary structures like α‐helices and β‐sheets diminished, which in turn resulted in more disordered domains and a subsequent modification of the tertiary structure of the proteins. These findings are relevant for establishing future protocols for extraction of high‐quality proteins and phenols when utilizing plant material and offer insight into the impact of processing that these ingredients endure.
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular‐Dynamics Simulations
Authors: Wilson Jake , Faginas‐Lago Noelia , Vekeman Jelle , Cuesta Inmaculada G. , Sánchez‐Marín José , Sánchez de Merás Alfredo 
Published: January 2018

AbstractThe interaction of CO with graphene was studied at different theoretical levels. Quantum‐mechanical calculations on finite graphene models with the use of coronene for coupled cluster calculations and circumcoronene for B97D calculations showed that there was no preferential site for adsorption and that the most important factor was the orientation of CO relative to graphene. The parallel orientation was preferred, with binding energies around 9 kJ mol−1 at the CCSD(T) and B97D levels, which was in good agreement with experimental findings. From a large number of CO–circumcoronene and CO–CO interactions, computed at different distances and randomly generated orientations, parameters were fit to the improved Lennard–Jones potential. Such potentials, together with others describing the intramolecular dynamics of graphene, were subsequently employed in classical molecular‐dynamics simulations of the adsorption of CO on graphene by using the canonical ensemble. The obtained results showed that the introduction of flexibility in graphene, which simulated the effects associated to curvature of the surface, diminished the adsorption level and that, as expected, adsorption also diminished with temperature.
Anorexia nervosa and uric acid beyond gout: An idea worth researching
Authors: Simeunovic Ostojic Mladena , Maas Joyce 
Published: January 2018

AbstractUric acid is best known for its role in gout—the most prevalent inflammatory arthritis in humans—that is also described as an unusual complication of anorexia nervosa (AN). However, beyond gout, uric acid could also be involved in the pathophysiology and psychopathology of AN, as it has many biological functions serving as a pro‐ and antioxidant, neuroprotector, neurostimulant, and activator of the immune response. Further, recent research suggests that uric acid could be a biomarker of mood dysfunction, personality traits, and behavioral patterns. This article discusses the hypothesis that uric acid in AN may not be a mere innocent bystander determined solely by AN behavior and its medical complications. In contrast, the relation between uric acid and AN may have evolutionary origin and may be reciprocal, where uric acid regulates some features and pathophysiological processes of AN, including weight and metabolism regulation, oxidative stress, immunity, mood, cognition, and (hyper)activity.
Gut microbiota in the burying beetle, Nicrophorus vespilloides, provide colonization resistance against larval bacterial pathogens
Authors: Wang Yin , Rozen Daniel E. 
Published: January 2018

AbstractCarrion beetles, Nicrophorus vespilloides, are reared on decomposing carrion where larvae are exposed to high populations of carcass‐derived bacteria. Larvae do not become colonized with these bacteria but instead are colonized with the gut microbiome of their parents, suggesting that bacteria in the beetle microbiome outcompete the carcass‐derived species for larval colonization. Here, we test this hypothesis and quantify the fitness consequences of colonization with different bacterial symbionts. First, we show that beetles colonized by their endogenous microbiome produce heavier broods than those colonized with carcass‐bacteria. Next, we show that bacteria from the endogenous microbiome, including Providencia rettgeri and Morganella morganii, are better colonizers of the beetle gut and can outcompete nonendogenous species, including Serratia marcescens and Escherichia coli, during in vivo competition. Finally, we find that Providencia and Morganella provide beetles with colonization resistance against Serratia and thereby reduce Serratia‐induced larval mortality. This effect is eliminated in larvae first colonized by Serratia, suggesting that while competition within the larval gut is determined by priority effects, these effects are less important for Serratia‐induced mortality. Our work suggests that an unappreciated benefit of parental care in N. vespilloides is the social transmission of the microbiome from parents to offspring.