bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantification of Brønsted Acid Sites of Grafted Amorphous Silica–Alumina Compounds and their Turnover Frequency in m‐Xylene Isomerization
Authors: Caillot Maxime , Chaumonnot Alexandra , Digne Mathieu , Bokhoven Jeroen A. Van 
Published: October 2013

AbstractThe number and types of acid sites and the catalytic activity of amorphous silica–alumina, obtained by grafting silicon species to the surface of γ‐alumina, varies with the synthesis conditions and the amount of grafted silicon. IR spectroscopy of the OH region proves that deposition occurs selectively, first on the (1 0 0) and then on the (1 1 0) facets. Grafting onto the (1 0 0) surface lowers the number of active sites in ethanol dehydration. Grafting onto the (1 1 0) surface yields Brønsted acid sites that are active in the dehydration of ethanol and that catalyze the isomerization of m‐xylene. Strong Lewis acid sites, or “defect sites”, as detected by CO adsorption, also appear, although they are absent on the parent alumina. The stoichiometric dehydration of ethanol on Brønsted sites, monitored by using thermogravimetric analysis, enables the calculation of the turnover frequency of these sites in m‐xylene isomerization (1.4×10−3 s−1 site−1 at 350 °C, atmospheric pressure, 0.6 cm3 h−1 of m‐xylene, and 0.5 g of catalyst). This number is 22 times lower than on a USY zeolite without extraframework aluminum.
Culture of Microalgae from Sewage Effluent
Authors: Inoue K. , Uchida T. 
Published: October 2013

AbstractMicroalgae were cultured using actual sewage effluent and the influences of various controls such as the hydraulic retention time to the culture were examined. The microalgae could be cultured by supplying only sewage effluent without additional external microalgal stock or nutrient salts. As the microalgae increased, the nutrient salts and metals were removed from the culture water. The cell number of green algae increased to 3.3 times by increasing the hydraulic retention time from 4 d to 6 d. With the addition of air into the culture water, the green algae accounted for 87 % of the total population. These controls led to an increase in the useful green algae components as the fuel.
Chiral‐Zn(NTf2)2‐Complex‐Catalyzed Diastereo‐ and Enantioselective Direct Conjugate Addition of Arylacetonitriles to Alkylidene Malonates
Authors: Yao Jingjing , Liu Xiaohua , He Peng , Zhu Yin , Lian Xiangjin , Lin Lili , Feng Xiaoming 
Published: October 2013

AbstractChiral N,N′‐dioxide/Zn(NTf2)2 complexes were demonstrated to be highly effective in the direct asymmetric conjugate addition of arylacetonitriles to alkylidene malonates under mild conditions. A wide range of substrates were tolerated to afford their corresponding products in moderate‐to‐good yields with high diastereoselectivities (82:18–>99:1 d.r.) and enantioselectivities (81–99 % ee). The reactions performed well, owing to the high Lewis acidity of the metal triflimidate and a ligand‐acceleration effect. The N,N′‐dioxide also benefited the deprotonation process as a Brønsted base. The catalytic reaction could be performed on the gram‐scale with retention of yield, diastereoselectivity, and enantioselectivity. The products that contained functional groups were ready for further manipulation. In addition, a possible catalytic model was proposed to explain the origin of the asymmetric induction.
Synthesis, Characterization, and Metabolism Studies of Fluspidine Enantiomers
Authors: Holl Katharina , Falck Evamaria , Köhler Jens , Schepmann Dirk , Humpf Hans‐Ulrich , Brust Peter , Wünsch Bernhard 
Published: October 2013

AbstractThe enantiomers of the potent σ1 ligand fluspidine (1) were prepared by using chiral preparative HPLC. Synthesis of racemic tosylate 2 and subsequent separation of enantiomers yielded (R)‐2 and (S)‐2 in excellent enantiomeric purities. The fluspidine enantiomers (R)‐1 and (S)‐1 were synthesized from (R)‐2 and (S)‐2 by nucleophilic substitution with tetra‐n‐butylammonium fluoride, affording (R)‐1 with 99.6 % ee and (S)‐1 with 96.4 % ee. Tosylates (R)‐2 and (S)‐2 can also serve as precursors for the radiosynthesis of enantiomerically pure radiotracers [18F](R)‐1 and [18F](S)‐1. The absolute configuration of the pure enantiomers was elucidated by comparison of their CD spectra with a calculated CD spectrum of a simplified model compound. In receptor binding studies, both enantiomers displayed very high σ1 receptor affinity and selectivity against the σ2 receptor. (R)‐Fluspidine ((R)‐1) is the eutomer, with a Ki value of 0.57 nM and a eudysmic ratio of 4. Incubation of (R)‐1 and (S)‐1 with rat liver microsomes led to the identification of seven and eight metabolites, respectively. Although the S‐configured enantiomer formed additional metabolite (S)‐1‐3, it is metabolically more stable than (R)‐1.
Body mass index and socioeconomic status measured in adolescence, country of origin, and the incidence of gastroesophageal adenocarcinoma in a cohort of 1 million men
Authors: Levi Zohar , Kark Jeremy D. , Shamiss Ari , Derazne Estela , Tzur Dorit , Keinan‐Boker Lital , Liphshitz Irena , Niv Yaron , Furman Moshe , Afek Arnon 
Published: October 2013

BACKGROUNDTo the authors' knowledge, little work has been done concerning adolescent precursors for gastroesophageal cancer. In the current study, the association of adolescent overweight as well as socioeconomic status (SES) with the incidence of esophageal adenocarcinoma (EAC), gastroesophageal junction adenocarcinoma (GEJAC), and noncardia gastric cancer (NCGC) was evaluated.METHODSBody mass index (BMI) was measured in 1 million Israeli adolescent males who underwent a general health examination at a mean age of 17.3 ± 0.5 years from 1967 to 2005. Overweight was defined as a BMI ≥ 85th percentile of the standard US distribution in adolescence. Incident cancer was identified by linkage with the Israeli National Cancer Registry.RESULTSA total of 182 incident cancer cases were documented (52 combined EAC and GEJAC cases and 130 NCGC cases). Adolescent overweight at baseline (BMI ≥ 85th percentile) was associated with an increased risk in the combined group of cases of EAC and GEJAC (multivariable hazards ratio [HR], 2.1; 95% confidence interval [95% CI], 1.1‐4.3 [P = .032]). Low SES (the lowest category vs the highest) as well as low number of years of education (≤ 9 years) were associated with an increased risk of intestinal‐type NCGC (multivariable HR, 2.2; 95% CI, 1.0‐4.8 [P = .041] and multivariable HR, 1.9; 95% CI, 1.1‐3.19 [P = .020], respectively). The adjusted risk of NCGC was higher in immigrants born in Asian countries and the former Soviet Union.CONCLUSIONSOverweight during adolescence was found to be substantially associated with the subsequent development of EAC and GEJAC. In addition, although potential confounding by Helicobacter pylori infection status or lifestyle factors was not fully accounted for in the analyses, lower SES as well as immigration from higher‐risk countries are important determinants of NCGC. Cancer 2013;119:4086–4093. © 2013 American Cancer Society.
Tin Oxide Microspheres with Exposed {101} Facets for Dye‐sensitized Solar Cells: Enhanced Photocurrent and Photovoltage
Authors: Peng Wenqin , Yang Xudong , Chen Zhenhua , Zhang Jing , Chen Han , Zhang Kun , Han Liyuan 
Published: October 2013

AbstractHierarchical SnO2 microspheres with exposed {101} facets are synthesized by a one‐pot solvothermal reaction and explored as a scattering layer on top of a SnO2 nanoparticle film for dye‐sensitized solar cells (DSCs). The microspheres not only enhance photon harvesting by effective light scattering/reflecting but also improve the energy level of the conduction band edge of the SnO2 photoanode, which leads to a simultaneous increase of the short‐circuit photocurrent by 17 % and open‐circuit photovoltage by 20 %. An improved overall conversion efficiency of 3.46 % is achieved for DSCs using the SnO2 microspheres, which is the highest value reported so far for pure‐SnO2 DSCs. Moreover, the SnO2‐microsphere DSCs exhibit a better photostability than the conventional TiO2 DSCs under simulated full sunlight.
Three‐Dimensional Mercury Pnictide [Hg4Z2]2+ Cationic Frameworks Stabilized by Tetravalent Metal Halide Anions in Supramolecular Complexes: [Hg4Z2][MCl6] (Z = P, As; M = Zr, Hf)
Authors: Li Xiao‐Guo , Jiang Xiao‐Ming , Zhang Ming‐Jian , Liu Bin‐Wen , Fan Yu‐Hang , Guo Guo‐Cong , Huang Jin‐Shun 
Published: October 2013

AbstractFour new inorganic supramolecular complexes, [Hg4P2][ZrCl6] (1), [Hg4As2][ZrCl6] (2), [Hg4P2][HfCl6] (3), and [Hg4As2][HfCl6] (4), have been prepared by moderate‐temperature solid‐state reactions. All compounds crystallize in the space group Pbca of the orthorhombic system with Z = 8. Their structures are built up of mercury pnictide cationic hosts and distorted octahedral [MCl6]2– (M = Zr, Hf) guests. The isolated octahedral guests consist of tetravalent Zr4+ and Hf4+ cations coordinated by chlorine atoms and are embedded in the infinite channels formed by the host framework. Their optical properties were investigated in terms of their diffuse reflectance and FTIR spectra. The electronic band structures along with densities of states (DOS) calculated by DFT indicate that all of the title compounds are semiconductors with direct band gaps, and their optical absorptions mainly originate from charge transitions from Cl 3p and P 3p/As 4p states to Hg 6s, Hg 5p, and Zr 4d/Hf 5d states. Optical dielectric constant calculations show that 1–4 possess dielectric anisotropy, which is consistent with their structural studies.
Washoff of cypermethrin residues from slabs of external building material surfaces using simulated rainfall
Authors: Trask Jennifer R. , Harbourt Christopher M. , Miller Paul , Cox Megan , Jones Russell , Hendley Paul , Lam Chung 
Published: October 2013

Abstract

The use of pesticides by homeowners or pest-control operators in urban settings is common, yet contributions of washoff from these materials are not easily understood. In the present study, cypermethrin, formulated as Cynoff EC (emulsifiable concentrate) and Cynoff WP (wettable powder) insecticides, was applied at typical rates to 10 different building material surfaces to examine its washoff potential from each surface. Using an indoor rainfall simulator, a 1-h rainfall event was generated and washoff samples were collected from 3 replicates of each surface type. Washoff was analyzed for cypermethrin using gas chromatography-negative chemical ionization mass spectrometry. An analysis of variance for a split-plot design was performed. Many building materials had similar water runoff masses, but asphalt resulted in significantly reduced average water runoff masses (73% less). The Cynoff WP formulation generally produced greater cypermethrin washoff than the Cynoff EC formulation. In addition, results for both the WP and EC formulations indicated that smoother surfaces such as vinyl and aluminum siding had higher washoff (1.0–14.1% mean percentage of applied mass). Cypermethrin washoff from rough absorptive surfaces like concrete and stucco was lower and ranged from 0.1 to 1.3% and from 0 to 0.2%, respectively, mean percentage of applied mass. Both building material surface and formulation play a significant role in cypermethrin washoff. Environ Toxicol Chem 2014;33:302–307. © 2013 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution, and reproduction in any medium, provided the original work is properly cited.
An Adaptive, Comprehensive Monitoring Strategy for Chemicals of Emerging Concern (CECs) in California's Aquatic Ecosystems
Authors: Maruya Keith A. , Schlenk Daniel , Anderson Paul D. , Denslow Nancy D. , Drewes Jörg E. , Olivieri Adam W. , Scott Geoffrey I. , Snyder Shane A. 
Published: October 2013

Abstract
A scientific advisory panel was convened by the State of California to recommend monitoring for chemicals of emerging concern (CECs) in aquatic systems that receive discharge of municipal wastewater treatment plant (WWTP) effluent and stormwater runoff. The panel developed a risk-based screening framework that considered environmental sources and fate of CECs observed in receiving waters across the State. Using existing occurrence and risk threshold data in water, sediment, and biological tissue, the panel applied the framework to identify a priority list of CECs for initial monitoring in three representative receiving water scenarios. The initial screening list of 16 CECs identified by the panel included consumer and commercial chemicals, flame retardants, pesticides, pharmaceuticals and personal care products, and natural hormones. The panel designed an iterative, phased strategy with interpretive guidelines that direct and update management actions commensurate with potential risk identified using the risk-based framework and monitoring data. Because of the ever-changing nature of chemical use, technology, and management practices, the panel offered recommendations to improve CEC monitoring, including development of bioanalytical screening methods whose responses integrate exposure to complex mixtures and that can be linked to higher-order effects; development or refinement of models that predict the input, fate, and effects of future chemicals; and filling of key data gaps on CEC occurrence and toxicity. Finally, the panel stressed the need for adaptive management, allowing for future review of, and if warranted, modifications to the strategy to incorporate the latest science available to the water resources community. Integr Environ Assess Manag 2014;10:69–77. © 2013 SETAC
Splice, Insertion‐Deletion and Nonsense Mutations that Perturb the Phenylalanine Hydroxylase Transcript Cause Phenylketonuria in India
Authors: Bashyam Murali D. , Chaudhary Ajay K. , Kiran Manjari , Nagarajaram Hampapathalu A. , Devi Radha Rama , Ranganath Prajnya , Dalal Ashwin , Bashyam Leena , Gupta Neerja , Kabra Madhulika , Muranjan Mamta , Puri Ratna D. , Verma Ishwar C. , Nampoothiri Sheela , Kadandale Jayarama S. 
Published: October 2013

ABSTRACTPhenylketonuria (PKU) is an autosomal recessive metabolic disorder caused by mutational inactivation of the phenylalanine hydroxylase (PAH) gene. Missense mutations are the most common PAH mutation type detected in PKU patients worldwide. We performed PAH mutation analysis in 27 suspected Indian PKU families (including 7 from our previous study) followed by structure and function analysis of specific missense and splice/insertion–deletion/nonsense mutations, respectively. Of the 27 families, disease‐causing mutations were detected in 25. A total of 20 different mutations were identified of which 7 “unique” mutations accounted for 13 of 25 mutation positive families. The unique mutations detected exclusively in Indian PKU patients included three recurrent mutations detected in three families each. The 20 mutations included only 5 missense mutations in addition to 5 splice, 4 each nonsense and insertion–deletion mutations, a silent variant in coding region and a 3′UTR mutation. One deletion and two nonsense mutations were characterized to confirm significant reduction in mutant transcript levels possibly through activation of nonsense mediated decay. All missense mutations affected conserved amino acid residues and sequence and structure analysis suggested significant perturbations in the enzyme activity of respective mutant proteins. This is probably the first report of identification of a significantly low proportion of missense PAH mutations from PKU families and together with the presence of a high proportion of splice, insertion–deletion, and nonsense mutations, points to a unique PAH mutation profile in Indian PKU patients. J. Cell. Biochem. 115: 566–574, 2014. © 2013 Wiley Periodicals, Inc.
Radiation‐induced microRNA: Discovery, functional analysis, and cancer radiotherapy
Authors: Chaudhry M. Ahmad 
Published: October 2013

ABSTRACTMicroRNAs (miRNAs) are small non‐protein coding RNA that play an important role in gene regulation. These RNA molecules function as post‐transcriptional regulators. miRNAs bind to complementary sequences on target messenger RNA transcripts, usually resulting in translational repression or target mRNA degradation and gene silencing. miRNA are abundantly present in all human cells, target approximately 60% of all genes, and are able to repress hundreds of targets each. Since their discovery in 1993 miRNA are emerging as important modulators in cellular pathways such as growth and proliferation, apoptosis, carcinogenesis, timing of cell‐fate decision, and metabolic pathways. A large number of studies have examined the general and specific effects of miRNAs perturbation in radiation‐exposed cells. These studies include expression profiling of miRNA, functional analysis, the role of specific miRNAs in tumor radiosensitivity, and targeting miRNA for improved cancer radiotherapy. Other studies have explored the involvement of miRNA in radiobiological phenomenon like bystander effect. Emerging evidence is establishing that miRNA are involved in regulating radiation‐induced cellular processes, can be exploited to improve cancer radiation therapy, and could serve as biomarkers of human radiation exposure. J. Cell. Biochem. 115: 436–449, 2014. © 2013 Wiley Periodicals, Inc.
Retrospective assessment of the utility of an iron‐based agent for contrast‐enhanced magnetic resonance venography in patients with endstage renal diseases
Authors: Bashir Mustafa R. , Mody Rekha , Neville Amy , Javan Ramin , Seaman Danielle , Kim Charles Y. , Gupta Rajan T. , Jaffe Tracy A. 
Published: October 2013

PurposeTo compare abdominopelvic and lower extremity venous enhancement in contrast‐enhanced magnetic resonance venography (ceMRV), using iron‐based ferumoxytol and gadolinium‐based gadofosveset.Materials and MethodsThis was a Health Insurance Portability and Accountability Act (HIPAA)‐compliant retrospective study. Thirty‐four patients were identified who had undergone ceMRV using either ferumoxtyol (Group A, all with chronic renal insufficiency) or gadofosveset (Group B). Two radiologists rated confidence for evaluation of the major abdominopelvic and lower extremity veins from 4 (excellent confidence) to 1 (nondiagnostic). A third radiologist measured signal intensity ratios (SIRs) of venous segments compared with adjacent muscles. Scores were compared using repeated‐measures analysis of variance (ANOVA). The medical record was searched for contemporaneous imaging to confirm the ceMRV findings.ResultsIn Group A, 14/225 venous segments were thrombosed, compared with 18/282 in Group B. There was no statistically significant difference between confidence scores (3.79 ± 0.44 vs. 3.85 ± 0.44, P = 0.34) or SIRs (2.40 ± 0.73 vs. 2.38 ± 0.51, P = 0.51) for patent segments in the two groups, nor were confidences scores (3.89 ± 0.29 vs. 3.72 ± 0.46, P = 0.31) or SIRs (0.90 ± 0.12 vs. 0.84 ± 0.19, P = 0.31) significantly different for thrombosed segments. Contemporaneous imaging confirmed ceMRV findings in 227 segments.ConclusionceMRV can be performed with ferumoxytol, yielding similar image quality to a blood pool gadolinium‐based contrast agent. J. Magn. Reson. Imaging 2014;40:113–118. © 2013 Wiley Periodicals, Inc.
Spectrophotometric simultaneous determination of metal ions in cows' milk and vegetables with the aid of artificial neural networks using synthetic 2‐benzylspiro[isoindoline‐1,5′‐oxazolidine]‐2′,3,4′‐trione
Authors: Abbasi‐Tarighat Maryam 
Published: October 2013

AbstractBACKGROUNDA simple, selective and sensitive multi‐component method for the simultaneous determination of Zn2+, Mn2+ and Fe3+ based on complex formation with 2‐benzylspiro[isoindoline‐1,5′‐oxazolidine]‐2′,3,4′‐trione using artificial neural networks is proposed.RESULTSThe analytical data showed that metal‐to‐ligand ratios in Zn2+ and Fe3+ complexes was 1:1 and for Mn2+ complex was 1:2. It was found at pH 6.5 and 5 min after mixing, the complexation reactions were completed. The coloured complexes exhibited absorption bands in the wavelength range 200–400 nm. The results showed that Zn2+, Mn2+ and Fe3+ could be determined in the range 0.1–18.0, 0.3–10.0 and 0.5–20.0 mg L−1, respectively.CONCLUSIONThe data obtained from synthetic mixtures of metal ions were processed by radial basis function networks (RBFNs) and back‐propagation neural network. The optimal conditions of the neural networks were obtained by adjusting various parameters. Satisfactory precision and accuracy were obtained with all networks, although, because of surprisingly lower root mean square error (%) values, RBFNs were the preferred approach. The proposed approach was tested by analysing the composition of the different mixtures containing Zn2+, Mn2+ and Fe3+. The proposed method was successfully applied to the simultaneous determination of Zn2+, Mn2+ and Fe3+ ions in milk and vegetable samples. © 2013 Society of Chemical Industry
Effects of long‐term storage on Mal d 1 content of four apple cultivars with initial low Mal d 1 content
Authors: Kiewning Daniela , Schmitz‐Eiberger Michaela 
Published: October 2013

AbstractBACKGROUNDUp to 6.6% of adults and 11.5% of children aged between 0 and 6 years are reporting a perceived fruit allergy. In the last group 8.5% perceived reactions against apple. To keep allergic reactions as low as possible and to make apple consumption more tolerable for patients allergic to apple, the Mal d 1 content of four apple cultivars (‘Boskoop’, ‘Elise’, ‘Pinova’, ‘Santana’ and ‘Topaz’) were analyzed, to identify apple cultivars with only a low Mal d 1 content. Further, the development of Mal d 1 content of low‐allergenic cultivars should be investigated during long‐term storage.RESULTSThe lowest Mal d 1 content was measured for fruits of the cultivar ‘Santana’ at harvest, followed by ‘Pinova’ and ‘Elise’ after storage without 1‐MCP. Nearly all fruits treated with 1‐MCP had a significantly lower Mal d 1 content than fruits without 1‐MCP, except for ‘Boskoop’ fruits after 44 weeks of storage. Apple cultivars with a low Mal d 1 content are not a cross of ‘Golden Delicious’ with another cultivar, with the exception of ‘Pinova’ which is a cultivar from the so‐called ‘Pi‐series’, which have a moderate resistance to scab and mildew. First experiments on tomatoes and peanuts have shown a reduction of allergic proteins in older and child generations after transfer of RNA. This reduction is probably based on an alteration of gene expression regulating the synthesis of allergic proteins, leading to changes in protein composition in the fruit.CONCLUSIONIndividuals allergic to apple should choose the described cultivars with relative low Mal d 1 content. If breeders want to breed cultivars with low allergy, they should avoid crossings with ‘Golden Delicious’. © 2013 Society of Chemical Industry