bluuebunny/crossref_metadata_2025_split huggingface dataset:
Inferring scale‐dependent processes influencing stream water biogeochemistry from headwater to sea
Authors: Tiwari Tejshree , Buffam Ishi , Sponseller Ryan A. , Laudon Hjalmar 
Published: October 2017

AbstractUnderstanding how scale‐dependent processes regulate patterns of water chemistry remains a challenge in aquatic biogeochemistry. This study evaluated how chemical properties of streams and rivers vary with drainage size and explored mechanisms that may underlie nonlinear changes with increasing scale. To do this, we contrasted concentrations of total organic carbon (TOC) with pH and cations (Ca and Mg) from 69 catchments in northern Sweden, spanning a size gradient from headwaters (< 0.01 km2) to major rivers and estuaries (> 100,000 km2). Across this gradient, we evaluated (1) changes in average concentrations and temporal variation, (2) scale breaks in catchment area‐concentration relationships, and (3) the potential importance of groundwater inputs and instream processes as drivers of change. Results indicated that spatial and temporal signals converge at ∼2–10 km2 as streams draining distinct headwater catchments coalesce and mix. Beyond 10 km2, streams tended to lose headwater signatures, reflecting a transition from shallow to deep groundwater influence. This was accompanied by a second break at ∼70–500 km2 corresponding to reduced spatial variability and a convergence of the response to snowmelt, as the dominance of deep groundwater influence increased with catchment scale. Larger catchments showed greater effect of instream processing on TOC, as concentrations predicted from the conservative mixing of upstream signals and dilution with deep groundwater were lower than measured. This study improves the understanding of scaling biogeochemical patterns and processes in stream networks, highlighting thresholds that imply shifts in the factors that shape variation in chemistry from headwaters to the sea.
Tailored Modification of Thioacrylates in a Versatile, Sequence‐Defined Procedure
Authors: Holloway Joshua O. , Aksakal Suzan , Du Prez Filip E. , Becer C. Remzi 
Published: October 2017

AbstractA strategy for the synthesis of sequence‐defined oligomers using a selective side‐group insertion approach making use of thiophenol‐catalyzed amidation reactions is herein reported. In this context, a new thiolactone‐based, multistep, iterative protocol is designed, utilizing thioacrylates in combination with solid‐phase synthesis for step‐by‐step growth, resulting in sequence‐defined oligomers. Sequence definition and structure variation are introduced by substituting the thioacrylate side groups with a wide variety of amines. The step‐by‐step growth of the oligomers is followed by liquid chromatography–mass spectrometry and high‐resolution mass spectroscopy to determine both conversion and purity.
Benzothiadiazole Versus Thiophene: Influence of the Auxiliary Acceptor on the Photovoltaic Properties of Donor–Acceptor‐Based Copolymers
Authors: Li Zongbo , Weng Kangkang , Chen Aihua , Sun Xiaobo , Wei Donghui , Yu Mingming , Huo Lijun , Sun Yanming 
Published: October 2017

AbstractTwo donor–acceptor (D–A) type conjugated copolymers, P1 and P2, are designed and synthesized. A classical benzothiadiazole acceptor is used to replace a thiophene unit in the polymer chain of P1 to obtain P2 terpolymer. Compared with P1, P2 exhibits broader absorption spectra, higher absorption coefficient, deeper lowest unoccupied molecular orbital level, and a relatively lower band gap. As a result, the P2‐based solar cell exhibits a high power conversion efficiency (PCE) of 6.60%, with a short‐circuit current (J
sc) of 12.43 mA cm−2, and a fill factor (FF) of 73.1%, which are higher than those of the P1‐based device with a PCE of 4.70%, a J
sc of 9.43 mA cm−2, and an FF of 61.6%.
Improvement of life quality measured by Lansky Score after enzymatic replacement therapy in children with Gaucher disease type 1
Authors: Cerón‐Rodríguez Magdalena , Barajas‐Colón Edgar , Ramírez‐Devars Lyuva , Gutiérrez‐Camacho Claudia , Salgado‐Loza Juan L. 
Published: October 2017

AbstractBackgroundGaucher disease type 1 (GD1, OMIM# 230800), is a condition with high impact in patient's quality of life (QoL). We report the improvement in QoL of children with GD1 measured by Lansky play‐performance scale (LS) after enzymatic replacement therapy (ERT) and to describe our experience in the treatment of children with GD1.MethodsFive children with diagnosis of GD1 received imiglucerase 60 mg/kg every two weeks. LS, hepatomegaly, splenomegaly, hemoglobin, platelets, and growth rate were measured every 6 months after beginning ERT for 30 months.ResultsAfter ERT, LS increased significantly from 28 ± 16.48 points before ERT to 70 ± 10 (P = 0.0046) and 95 ± 10 (P = 0.0022) points after 6 and 30 months of ERT, respectively; hemoglobin and platelets changed significantly from 9.28 ± 0.61 to 12.40 ± 0.85 (P = 0.0198) and from 71.50 ± 14.89 to 205.00 ± 65.34 (P = 0.0428) after 30 months of ERT, respectively. All patients demonstrated decreased hepatic and splenic size with mean reductions of 66% and 80% at 30 months of treatment and the USG longitudinal axis was reduced in both liver and spleen after ERT.ConclusionThe use of ERT with imiglucerase 60 mg/kg every two weeks has substantial benefits and significantly improves QoL, assessed with Lansky Score, of the five children with GD1 studied.
Human umbilical cord blood relaxation times and susceptibility at 3 T
Authors: Portnoy Sharon , Milligan Natasha , Seed Mike , Sled John G. , Macgowan Christopher K. 
Published: October 2017

PurposeTo characterize the magnetic susceptibility and relaxation times (T1 and T2) of fetal blood at 3 T as a function of the hematocrit (Hct) and oxygen saturation (sO2).MethodsSusceptibility and relaxometry measurements were performed on cord blood specimens (N = 90, derived from six caesarean deliveries) with a range of hematocrits and oxygen saturations (0.09 < Hct < 0.82, 7 < sO2 < 100%). To obtain simple, analytic relationships between MRI properties and blood properties, data were fit to established two‐compartment (plasma and erythrocytes) models.ResultsTwo‐compartment models effectively described the cord blood data. The root‐mean‐squared deviation between the model and the data was 6.3, 10.3, and 1.3% for fits to T1, T2, and susceptibility measurements. Relaxometry data and estimated T1 and T2 model parameters were generally consistent with those reported in cord blood at 1.5 T and comparable to published values for adult blood. Notably, the measured value of Δχdeo, the susceptibility difference between fully oxygenated (sO2 = 100%) and deoxygenated (sO2 = 0) cord blood was approximately 20% lower than the established adult blood value (Δχdeo,cord = 2.64 ppm, Δχdeo,adult = 3.4 ppm).ConclusionsThe described models and associated parameter values can be used to inform acquisition parameters, and interpret fetal/neonatal blood susceptibility measurements and relaxometry data acquired at 3 T with respect to hematocrit and sO2. Magn Reson Med 79:3194–3206, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
The American Society of Pediatric Hematology/Oncology workforce assessment: Part 2—Implications for fellowship training
Authors: Leavey P. J. , Hilden J. M. , Matthews D. , Dandoy C. , Badawy S. M. , Shah M. , Wayne A. S. , Hord J. ,   on behalf of the American Society of Pediatric Hematology/Oncology Workforce Advisory Taskforce
Published: October 2017

AbstractThe American Society of Pediatric Hematology/Oncology (ASPHO) solicited information from division directors and fellowship training program directors to capture pediatric hematology/oncology (PHO) specific workforce data of 6 years (2010–2015), in response to an increase in graduating fellows during that time. Observations included a stable number of physicians and advanced practice providers (APPs) in clinical PHO, an increased proportion of APPs hired compared to physicians, and an increase in training‐level first career positions. Rapid changes in the models of PHO care have significant implications to current and future trainees and require continued analysis to understand the evolving discipline of PHO.
Alteration of Liver Peroxisomal and Mitochondrial Functionality in the NZO Mouse Model of Metabolic Syndrome
Authors: Knebel Birgit , Göddeke Simon , Hartwig Sonja , Hörbelt Tina , Fahlbusch Pia , Al‐Hasani Hadi , Jacob Sylvia , Koellmer Cornelia , Nitzgen Ulrike , Schiller Martina , Lehr Stefan , Kotzka Jorg 
Published: October 2017

PurposeMetabolic syndrome (MetS) consists of five risk factors: elevated blood pressure and fasting glucose, visceral obesity, dyslipidemia, and hypercholesterinemia. The physiological impact of lipid metabolism indicated as visceral obesity and hepatic lipid accumulation on MetS is still under debate. One major cause of disturbed lipid metabolism might be dysfunction of cellular organelles controlling energy homeostasis, i.e., mitochondria and peroxisomes.Experimental designThe New Zealand Obese (NZO) mouse model exhibits a polygenic syndrome of obesity, insulin resistance, triglyceridemia, and hypercholesterolemia that resembles human metabolic syndrome. We applied a multi‐omics approach combining lipidomics with liver transcriptomics and top‐down MS based organelle proteomics (2D‐DIGE) of highly enriched mitochondria and peroxisomes in male mice, to investigate molecular mechanisms related to the impact of lipid metabolism in the pathophysiology of the metabolic syndrome.Conclusions and clinical relevanceProteome analyses of liver organelles indicate differences in fatty acid and cholesterol metabolism, mainly influenced by PG‐C1α/PPARα and other nuclear receptor mediated pathways. These results are in accordance with altered serum lipid profiles and elevated organelle functionality. These data emphasize that metabolic syndrome is accompanied with increased mitochondria and peroxisomal activity to cope with dyslipidemia and hypercholesterinemia driven hepatic lipid overflow in developing a fatty liver.
Scopoletin‐standardized Morinda elliptica leaf extract suppressed inflammation and cartilage degradation to alleviate osteoarthritis: A preclinical study
Authors: Wan Osman Wan Nurfarahin , Lau Seng Fong , Mohamed Suhaila 
Published: October 2017

The effect of scopoletin‐standardized Morinda elliptica leaf extract against osteoarthritis was investigated in ex vivo explant culture and preclinical rodent model. Thirty male rats were grouped (n = 6) into untreated osteoarthritis (OA), OA + Diclofenac (5 mg/kg), and OA + extract (200 and 400 mg/kg) and compared with healthy control. Monosodium iodoacetate were injected into the right intra‐articular knee joints to induce OA. The rats were evaluated for OA severity via physical (micro‐CT and histological observations), biochemical, ELISA, and mRNA expression analysis (for inflammation and cartilage degradation biomarkers), after 28 days of treatment. The extract suppressed glycosaminoglycan release from the cartilage explant in the presence of Interleukin‐1β. The 200 mg/kg dose appeared better than 400 mg/kg dose, at reducing cartilage and subchondral bone erosions in OA‐induced rats, by significantly down‐regulating the collagenases and aggrecanase. The extract dose‐dependently reduced serum inflammation biomarkers and increased bone formation biomarkers to near normal levels in the OA‐induced rats. M. elliptica leaf scopoletin‐standardised extract alleviated OA progression and articular cartilage structure, by ameliorating cartilage degradation, nitric oxide levels, inflammation, bone /cartilage homeostasis, collagenase/aggrecanase activities, chondrocytes survival, subchondral bone structure and integrity.
Development and evaluation of an integral sliding mode fault‐tolerant control scheme on the RECONFIGURE benchmark
Authors: Chen L. , Alwi H. , Edwards C. 
Published: October 2017

SummaryThis paper describes the development, application, and evaluation of a linear parameter‐varying integral sliding mode control allocation scheme to the Reconfiguration of Control in Flight for Integral Global Upset Recovery benchmark model to deal with an actuator failure/fault scenario. The proposed scheme has the capability to maintain close to nominal (fault free) load factor control performance in the face of elevator failures/faults by including a retrofitted integral sliding mode term and then rerouting (via control allocation) the augmented control signal to healthy elevators without reconfiguring the baseline controller. In order to mitigate any chattering appearing in the elevator demands, the retrofitted signal is based on a super‐twisting sliding mode structure. This produces a control signal that is continuous and does not have the discontinuous switching nature of traditional sliding mode schemes. The scheme is evaluated using an industrial Functional Engineering Simulator developed as part of the Reconfiguration of Control in Flight for Integral Global Upset Recovery project. Monte Carlo campaign results are shown to demonstrate the performance of the proposed scheme.
Three‐Dimensional Imaging of High Performance Liquid Chromatography Processes Using a Mini Positron Emission Tomograph
Authors: Sarkadi‐Priboczki Eva , Valastyan Ivan , Brezovcsik Karoly , Nagy David , Opposits Gabor , Lajtos Imre , Emri Miklos , Balkay Laszlo , Molnar Jozsef 
Published: October 2017

AbstractPositron emission tomography (PET) is a widely used technique for following radiotracer distribution, molecule specific binding or biochemical processes in living animals or in human body. Small animal PET cameras with high spatial resolution and high sensitivity are also useful, beyond their original pre‐clinical application, in the following of surface chemical and the physicochemical processes.The purpose of this study was the introduction of the three‐dimensional real‐time PET based visualization method in separation processes. The separated tracer compounds can be followed and displayed in three dimension along chromatography column using the PET technique. We studied the separation of 11C‐labeled methanol and 11C‐labeled methyl iodide using reversed‐phase high performance liquid chromatography (HPLC) on semi‐preparative and analytical columns in order to determine the detection limits of our PET camera (MiniPET). The PET imaging is suitable for analyzing the column efficiency and the underlying processes in the liquid chromatography.Synthesis, separation and quality control of PET radiopharmaceuticals are performed in radiochemistry labs (in PET Centers) with the help of the liquid chromatography, therefore equipment, infrastructure and other lab conditions are usually available for researchers and for private companies to study chromatographic separation processes and to develop columns.
Enhanced Photocatalytic Activity from Mixture‐Fuel Cells by ZnO Template‐Assisted Pd‐Pt Hollow Nanorods
Authors: Yang Hao , He Lan‐Qi , Wang Zi‐Han , Lu Xihong , Li Gao‐Ren , Fang Ping‐Ping , Tong Yexiang 
Published: October 2017

AbstractWe designed a ZnO template‐assisted Pd−Pt hollow nanorods electrocatalyst for photoelectrooxidation of methanol‐ethanol mixed‐fuel cells. The ZnO template‐assisted Pd−Pt hollow nanorods can be prepared by simple three steps electrodeposition method. The hollow nanorods were achieved simultaneously with the deposition of Pt. The electrodeposition of Pt is controllable and time dependent, which in turn created a hollow cavity along with ZnO residual. Owing to the open hollow structure, enhanced electrocatalytic and photocatalytic performance from the ZnO and the Pd−Pt hollow nanorods were obtained for the methanol‐ethanol mixture fuel cells. Such ZnO metal semiconductor nanostructure can improve the separation efficiency of the holes and electrons and greatly enhance the photocatalytic activity for the electro‐oxidation of the methanol and ethanol mixture.
Effective Catalytic Reduction of Methyl Orange Catalyzed by the Encapsulated Random Alloy Palladium‐Gold Nanoparticles Dendrimer.
Authors: Ilunga Ali K. , Khoza Thembisile , Tjabadi Evah , Meijboom Reinout 
Published: October 2017

AbstractA series of stable and well‐dispersed random alloy nanoparticles of palladium and gold was synthesized by a template method using dendrimers. The synthesized nanoparticles were qualitatively and quantitatively characterized by UV‐Vis spectrophotometry (UV‐Vis), High‐resolution transmission electron spectroscopy (HR‐TEM), energy dispersed X‐ray spectroscopy (EDS) and inductively coupled plasma optical emission spectrometry (ICP‐OES). Metal nanoparticles size (Pd55Au55/Dens‐OH ((2.21 ± 0.41) nm)) were significantly close to the calculated nanoparticles size (Pd55Au55/Dens‐OH (2.59 nm)). Catalytic reduction of methyl orange was performed as a model reaction in the presence of sodium borohydride. The kinetic investigation was monitored through a microplate reader. The obtained data were kinetically interpreted according to theLangmuir‐Hinshelwood approach. The catalytic process described an exothermic process, where the model compound physicochemical adsorption on the nanoparticles active surface site was found to be a non‐spontaneous process.
Push‐Pull N‐Annulated Perylene‐Based Sensitizers for Dye‐Sensitized Solar Cells: Theoretical Property Tuning by DFT/TDDFT
Authors: Hadsadee Sarinya , Rattanawan Rattanawalee , Tarsang Ruangchai , Kungwan Nawee , Jungsuttiwong Siriporn 
Published: October 2017

AbstractWe evaluate the effects of donor and π‐linker moieties on power‐conversion efficiency for a series of push‐pull type, N‐annulated perylene dyes for dye‐sensitized solar cells. Triphenylamine and diphenylamine are used as electron donors. We investigate the structural, optical, and electronic properties of dyes by performing density functional theory (DFT) calculations at the B3LYP level, using the 6‐311G(d,p) basis set. Electronic absorption wavelengths were investigated using time dependent DFT (TD‐DFT) calculations on M062x/6‐311G(d,p) in THF. Our calculated results reveal that the diphenylamine (DPA) donor provides a small dihedral angle between diphenylamine and the perylene core, resulting in a red‐shifted absorption spectrum. Introduction of an O‐methoxy substituent into diphenylamine improves its donor properties, red‐shifts the absorption wavelength, and increases the dipole moment, indicating increased intramolecular charge transfer in the O‐methoxy substituted dye. Incorporation of a C‐C triple bond in linker extends the π‐conjugation system and decreases the dihedral angle between N‐annulated perylene and cyanoacrylic acid; the dye adopts a planar structure, causing a red‐shift in the absorption spectrum. Our results demonstrate that use of computational design can to help the experimentalist for out looking future developments to identify push‐pull perylene sensitizers for highly efficient solar cells.
Copper(II) Complexes with Tridentate Bis(pyrazolylmethyl)pyridine Ligands: Synthesis, X‐ray Crystal Structures and ϵ‐Caprolactone Polymerization
Authors: Rueda‐Espinosa Juan , Torres Juan F. , Gauthier Carmen Valdez , Wojtas Lukasz , Verma Gaurav , Macías Mario A. , Hurtado John 
Published: October 2017

AbstractReactions of Cu(ClO4)2⋅6H2O with 2,6‐bis(3,5‐dimethylpirazol‐1‐ylmethyl)pyridine (dmpz‐py) (1), 2,6‐bis(4‐iodo‐3,5‐dimethylpirazol‐1‐ylmethyl)pyridine (I‐dmpz‐py) (2) and 2,6‐bis(4‐nitro‐3,5‐dimethylpirazol‐1‐ylmethyl)pyridine (NO2‐dmpz‐py) (3) yield the corresponding metal complexes: [Cu(dmpz‐py)(H2O)(ClO4)]ClO4 (4), [Cu(I‐dmpz‐py)(H2O)](ClO4)2 (5) and [Cu(NO2‐dmpz‐py)(H2O)(ClO4)2] (6). The complexes were isolated in high yields as stable solids at room temperature and characterized by melting point, electrical conductivity, and infrared and ultraviolet/visible spectroscopy. In addition, the crystal structures of the new complexes were determined by single‐crystal X‐ray diffraction and showed square‐base pyramidal (4), distorted square‐planar (5) and octahedral (6) geometries. All three complexes were active in the ring opening polymerization of ϵ‐caprolactone under solvent‐free conditions, producing polycaprolactones of narrow polydispersity and high crystallinity. The results obtained show an important increase in polymerization speed compared with analogous azole‐derived copper (II) complexes.
Generation and Trapping of Terminal Phosphinidene Complex [CF3P‐W(CO)5]
Authors: Wong Jonathan , Zhou Melody , Ganguly Rakesh , Mathey François 
Published: October 2017

AbstractThe LUMO of [CF3P−W(CO)5] is lower in energy than the LUMO of [ClP−W(CO)5] by 0.30 eV and [CF3P−W(CO)5] is the most electrophilic phosphinidene tungstenpentacarbonyl complex described so far. It is generated by reaction of dimethyl acetylenedicarboxylate with the appropriate 1‐trifluoromethylphosphole complex at 80 oC in toluene. It reacts normally with alkynes to give 1‐trifluoromethylphosphirene complexes. The reaction with alkenes works only with electron‐rich species. The phosphirane complexes appear to be unstable when electron‐poor C=C double bonds are used such as with trans‐stilbene. This highlights the importance of the P to C=C backbonding in the stability of the phosphirane adducts.
Interfacial Charge Transfer between Zinc Oxide Nanoparticles and Methyl Viologen: Influence of Size
Authors: Mitra Piyali , Barman Monoj Kumar , Basu Samita , Das Somnath , Pramanik Amitava , Patra Amitava 
Published: October 2017

AbstractThe fundamental understanding of photoinduced electron transfer (PET) between semiconductor nanocrystals and dye molecules is very important to design efficient light harvesting system based on inorganic‐organic hybrid system. Here, we have investigated the photoluminescence quenching and charge transfer process from ZnO NPs to methyl viologen (MV2+) by using steady state and time resolved spectroscopy. Absorption spectroscopic studies reveal that the charge‐transfer (CT) complex is formed between ZnO NPs and MV2+ which gives distinct size dependent CT bands. The defect emission of ZnO NPs is found to be quenched significantly after adding MV2+ molecule. The charge transfer process between ZnO NPs and MV2+ is confirmed by using laser flash photolysis and the stability of CT complexes is found to be more prominent for 6.3 nm ZnO NPs with MV2+ than 4.2 nm ZnO NPs with MV2+. The study of the electronic interaction of ZnO NPs with MV2+ is very important for further applications in organic/inorganic hybrid optoelectronic materials.
Coral Reef‐Like Carbon Nanomaterial: Synthesis, Characterization and Mechanism Study
Authors: Mahal Ehab , Al‐Mutlaq Shaymaà , Sonsudin Faridah , Yahya Rosiyah , Wei Xiaoyi , Mahal Ahmed 
Published: October 2017

AbstractCoral reef‐like carbon nanomaterials (referred to carbon nanotrees or nanodendrites) were successfully synthesized using waste automobile tires as an alternative source of carbon. The products have been characterized using field‐emission scanning electron microscope (FESEM), transmission electron microscopy (TEM), energy‐dispersive X‐ray spectroscopy (EDX) and Raman Spectroscopy. Thermogravimetric analysis (TGA) was investigated in order to examine the thermal stability of the products. The morphology of the products showed observation of tree‐like carbon nanomaterials similar to natural coral reef having thin graphitic outer mono shell with diameter about 3 nm and different monoliths sizes of about 7 to 40 nm. The as obtained materials demonstrated good thermal stability with a yield of 56% due to high temperature used in the deposition stage. The proposed formation mechanism suggested that they are formed as a result of the fusion and swelling of the nanoparticles. The temperature range of the deposition step in addition to the cooling step play major role in the formation of such materials.