bluuebunny/crossref_metadata_2025_split huggingface dataset:
Increased availability of paracetamol in Sweden and incidence of paracetamol poisoning: using laboratory data to increase validity of a population‐based registry study
Authors: Gedeborg Rolf , Svennblad Bodil , Holm Lennart , Sjögren Hans , Bardage Carola , Personne Mark , Sjöberg Gunilla , Feltelius Nils , Zethelius Björn 
Published: January 2017

AbstractPurposeTo estimate the incidence trend and outcome of paracetamol poisoning, in relation to increased availability of paracetamol from non‐pharmacy outlets in 2009.MethodPatients' serum paracetamol results over 14 years (2000–2013) from 20 (out of 21) regions in Sweden were linked to national registers of hospital care, cause of death, and prescriptions. Paracetamol poisonings were defined by serum paracetamol levels, hospital diagnoses, or cause of death. The change in incidence of poisonings following increased availability of paracetamol was analysed by using segmental regression of time series.ResultsOf the 12 068 paracetamol poisonings, 85% were classified as intentional self‐harm. Following increased availability from non‐pharmacy outlets, there was a 40.5% increase in the incidence of paracetamol poisoning, from 11.5/100 000 in 2009 to 16.2/100 000 in 2013. Regression analyses indicated a change in the trend (p < 0.0001) but not an immediate jump in the incidence (p = 0.5991) following the increased availability. Adjusting for trends in hospital episodes for self‐harm, suicides, and the sales volume of paracetamol did not influence the result. All‐cause mortality at 30 days (3.2%) did not change over time.ConclusionsThe incidence of paracetamol poisoning in Sweden has increased since 2009, contrasting the decreased incidence in the period of 2007–2009. The change in trend was temporally associated with the introduction of availability of paracetamol from non‐pharmacy outlets but did not appear to be related to sales volume of paracetamol or general trends in self‐harm or suicides. © 2017 Commonwealth of Australia. Pharmacoepidemiology and Drug Safety © 2017 John Wiley & Sons, Ltd.
On‐Water Polymerization of Phenylacetylene Catalyzed by Rh Complexes Bearing Strong π‐Acidic Dibenzo[a,e]cyclooctatetraene Ligand
Authors: Zhang Pengfei , Wang Hanghang , Shi Xiaosong , Yan Xinwen , Wu Xiaolu , Zhang Shaowen , Yao Bo , Feng Xiao , Zhi Junge , Li Xiaofang , Tong Bin , Shi Jianbin , Wang Lin , Dong Yuping 
Published: January 2017

ABSTRACTA series of new mononuclear neutral and water‐soluble cationic rhodium (Rh) complexes bearing strong π‐acidic dibenzo[a,e]cyclooctatetraene (dbcot) diene ligand have been synthesized and structurally characterized. In the polymerization of phenylacetylene, the dbcot Rh complex exhibits higher catalytic activity than the corresponding cod‐based Rh complex in both of organic solvent and aqueous media, affording the high cis‐transoidal PPAs with up to 99% of cis‐contents, moderate molecular weights, and moderate to broad molecular weight distributions. Moreover, on‐water polymerization of substituted phenylacetylenes is achieved by these complexes under air atmosphere, in which 3‐ to 163‐fold acceleration of the polymerization rate is observed in aqueous polymerization compared to that in organic solvents. The nature of the Rh complex, solvent, polymerization temperature, and substituted group on the phenylacetylene impact on the polymer's yield, stereoselectivity, molecular weight, and molecular weight distribution. In addition, the water‐soluble cationic Rh complexes can be reused for three times. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 716–725
Tuning of PEDOT:PSS Properties Through Covalent Surface Modification
Authors: Guselnikova Olga A. , Postnikov Pavel S. , Fitl Premysl , Tomecek David , Sajdl Petr , Elashnikov Roman , Kolska Zdenka , Chehimi Mohamed M. , Švorčík Vaclav , Lyutakov Oleksiy 
Published: January 2017

ABSTRACTConductive polymer (poly(3,4‐ethylenedioxythiophene)‐poly(styrenesulfonate) (PEDOT:PSS) is an attractive platform for the design of flexible electronic, optoelectronic, and (bio)sensor devices. Practical application of PEDOT:PSS often requires an incorporation of specific molecules or moieties for tailoring of its physical–chemical properties. In this article, a method for covalent modification of PEDOT:PSS using arenediazonium tosylates was proposed. The procedure includes two steps: chemisorption of diazo‐cations on the PEDOT:PSS surface followed by thermal decomposition of the diazonium salt and the covalent bond formation. Structural and surface properties of the samples were evaluated by XPS, SEM‐EDX, AFM, goniometry, and a range of electric and optical measurements. The developed modification procedure enables tuning of the PEDOT:PSS surface properties such as conductivity and optical absorption. The possibility to introduce various organic functional groups (from hydrophilic to hydrophobic) and to create new groups for further functionalization makes the developed procedure multipurpose. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 378–387
Budesonide reduces hospital admission rates in preschool children with acute wheezing
Authors: Razi Cem Hasan , Cörüt Nazlı , Andıran Nesibe 
Published: January 2017

SummaryBackgroundThe object of this study was to determine whether high doses of inhaled budesonide provide additional benefits to a standardized treatment regimen that includes systemic steroids and salbutamol in preschool patients presented to the emergency department (ED) with acute wheezing attacks. Methods This randomized, double‐blind, placebo‐controlled, parallel group trial was conducted in children, 6 months–6 years with moderate or severe acute wheezing epizode, as determined based on a pulmonary index score (PIS) of 7–13 points. We compared the addition of budesonide 3 mg versus placebo to standard acute asthma treatment, which included salbutamol and a single 1 mg/kg dose of methylprednisolone given at the beginning of therapy. The primary outcome was differences in hospitalization rates within 4 hr. Secondary outcome was difference in median PIS between treatment groups at 2 hr. Results One hundred patients were enrolled. Cumulative hospitalization rate at 120, 180, and 240 min were 0.72, 0.62, and 0.58 in placebo group; and 0.44, 0.30, and 0.24 in budesonide group. Discharged rate in budesonide group was significantly higher than the placebo group (log‐rank = 12.407 ve P < 0.001). Expected mean discharged times were 200.4 (95%CI = 185.3–215.5) min in placebo group and 164.4 (95%CI = 149.4–179.4) min in budesonide group. Median (25–75%) PIS at the 120th min was significantly lower in budesonide group than the placebo group (5 [4–8] vs. 8 [5–9] respectively, P = 0.006). Conclusions The addition of budesonide nebulization may decrease the admission rate of preschool children who have moderate to severe acute wheezing epizodes. Pediatr Pulmonol. 2017;52:720–728. © 2017 Wiley Periodicals, Inc.
Covalently Bonded PIDA on SBA‐15 as Robust Pd Support: Water‐Tolerant Designed Catalysts for Aqueous Suzuki Couplings
Authors: Doustkhah Esmail , Rostamnia Sadegh , Hossieni Habib Golchin , Luque Rafael 
Published: January 2017

AbstractIn this work, a new catalyst based on Pd (II) supported SBA‐15 has been has been introduced and discussed. The designed catalyst was characterised by Scanning electron microscopy (SEM), transmission electron microscopy (TEM), FT‐IR, BET surface area analysis, thermo gravimetric analysis (TGA), Energy‐dispersive X‐ray spectroscopy (EDS) and atomic absorption spectroscopy (AAS) analyses. For the first time, lobster‐like N‐propyliminodiacetate (PIDA) has been incorporated as ligand onto SBA‐15 to form a stable complex with Pd ions to design a highly active, stable and reusable catalyst for Suzuki‐Miyaura couplings.
First Stereoselective Total Synthesis of Ligraminol E
Authors: Gangar Mukesh , Goyal Sandeep , Hathiram Vankodoth , Ramdas Wasnik Ashik , Rao Vajja Krishna , Nair Vipin A. 
Published: January 2017

AbstractStereoselective total synthesis of Ligraminol E has been achieved in 8 steps in 23.9 % overall yield by employing an imidazolidinone based chiral auxiliary. The key steps involved in the synthesis are the asymmetric glycolate alkylation of (R)‐3‐(2‐(benzyloxy)acetyl)‐4‐isopropyl‐1‐((S)‐1‐phenylethyl)imidazo‐lidin‐2‐one with substituted benzyl bromide and the Mitsonobu reaction of a secondary alcohol and phenolic group.
Mild and Efficient Synthesis of 5‐(2,2‐difluoro‐1‐phenyl cyclopropyl)‐N‐substituted‐1,3,4‐oxadiazol‐2‐amines via Graphene Oxide as Catalyst under Ultrasonic Irradiation Conditions
Authors: Reddy Sirigireddy Sudharsan , Reddy Bijivemula N. , Reddy Peddiahgari Vasu Govardhana , Reddy Gajulapalli Vishwakshan , Sarma Loka Subramanyam 
Published: January 2017

AbstractWe disclosed herein a series of novel 5‐(2,2‐difluoro‐1‐phenylcyclopropyl)‐N‐substituted‐1,3,4‐oxadiazol‐2‐amines from the reaction of 2,2‐difluoro‐1‐phenylcyclopropane carbohydrazide and various isothiocyanates in the presence of graphene oxide (GO) and 1,8‐diazabicyclo [5.4.0]undec‐7‐ene (DBU) under conventional and ultrasonic irradiation conditions. It was found that the reaction was completed in a short period of time with good to excellent yields by virtue of attributes offered by GO catalyst. Further, the reaction underwent smoothly in ethanol and ionic liquids. Noteworthy, GO can be recycled and reused for five cycles without considerable loss in activity. The oxidative activity and morphology of GO catalyst was confirmed by transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FT‐IR) and cyclic voltammetry (CV) techniques.
3‐substituted‐1H‐indazoles as Catalytic Inhibitors of the Human DNA Topoisomerase IIα
Authors: Janežič Matej , Pogorelčnik Barbara , Brvar Matjaž , Solmajer Tom , Perdih Andrej 
Published: January 2017

AbstractCatalytic inhibitors represent an attractive possibility of revisiting the established anticancer target human DNA topoisomerase IIα, taking advantage of the many different inhibition steps in its catalytic cycle. In this study we present our efforts to expand the chemical space of inhibitors of the human DNA topoisomerase IIα with a combination of in silico and in vitro methods. Using our previously reported compounds as a base, we constructed a ligand‐based pharmacophore and conducted a virtual screening campaign. This led to the discovery of 1H‐indazole inhibitors for which the SAR data was subsequently expanded. Additionally, several in vitro methods; cleavage assay, competitive cleavage assay, ATPase assay and microscale thermophoresis (MST) binding studies were employed to study the inhibitory mechanism, and it was confirmed that our compounds are catalytic inhibitors that bind to the ATPase domain. IC50 values were in the lower micromolar range with multiple compounds showing stronger inhibitory activity than the established topoisomerase poison etoposide. Using in silico methods we proposed a binding mode and evaluated it using molecular dynamics simulation. 1H‐indazoles represent a new versatile scaffold that could be utilized for further development of catalytic inhibitors of the human DNA topoisomerase IIα targetting the ATPase domain where ATP binding site is located.
Graphene Grafted N‐Methyl‐4‐pyridinamine (G‐NMPA): An Efficient Heterogeneous Organocatalyst for Acetylation of Alcohols
Authors: Panahi Farhad , Fareghi‐Alamdari Reza , Khajeh Dangolani Soheila , Khalafi‐Nezhad Ali , Golestanzadeh Mohsen 
Published: January 2017

AbstractIn this study, graphene oxide (GO) was modified with N‐methyl‐4‐pyridinamine in order to synthesize a novel nitrogen‐containing graphene‐based material for application as heterogeneous catalyst in organic transformations. To prepare this catalyst system, first, chlorine‐functionalized graphene (CFG) was synthesized using reaction of GO and thionyl chloride (SOCl2) and then it was reacted with N‐methyl‐4‐pyridinamine. As a result, aminopyridine fragments connected to the graphene surface covalently via a C−N linker and form graphene grafted N‐methyl‐4‐pyridinamine (G‐NMPA) catalyst. The G‐NMPA material was characterized using some different techniques and used as a heterogeneous catalyst in acetylation of alcohols. Results of catalyst activity evaluation demonstrate that G‐NMPA has high activity in acetylation of alcohols. Furthermore, the catalyst system was reusable at least for 8 times without remarkable decreasing in its catalytic activity.
Selective Participation of Methane in Olefin Upgrading over Pd/ZSM‐5 and Ir/ZSM‐5: Investigation using Deuterium Enriched Methane
Authors: He Peng , Wen Yumeng , Jarvis Jack , Gatip Richard , Austin Danielle , Song Hua 
Published: January 2017

AbstractThe upgrading of olefins under methane environment is a promising process. Not only is the olefin content reduced, which is critical for the storage and transportation of oil products, but also are high value‐added products produced from methane. The study on the reaction intermediates during this process is crucial for a better understanding of the involved catalytic reaction mechanism as well as catalyst development. Catalysts that displayed high selectivity towards olefin upgrading including Ir/ZSM‐5 and Pd/ZSM‐5 in our previous research are studied in this work. CD4 is employed as the methane source in the reaction to track the evolution of hydrogen in the methane molecule. The significant change of the allylic hydrogen peak on 1H NMR spectra upon CD4 introduction demonstrates that the hydrogen sites on the carbon atoms adjacent to the double bond moieties are selectively occupied by deuterium atoms, suggesting that these sites are preferred by methane hydrogen atoms and may play a key role in the reaction pathway. The evolution of methane and the interaction between methane and olefin over the catalyst are observed in the DRIFT spectra. The IR resonance due to O−D stretching of the terminal silanol hydroxyl group at 2753 cm−1 is observed under CD4 environment, while the O−D stretching of bridging hydroxyl group is not detected, indicating the interaction between methane and the catalyst is highly selective, which may contribute to the high selectivity in methane hydrogen evolution.
A Single and Simple Receptor as a Multifunctional Chemosensor for the Al3+/Cu2+ ions and Its Live Cell Imaging Applications.
Authors: Murugan Arumugam Senthil , Pandi Mohan , Annaraj Jamespandi 
Published: January 2017

AbstractA simple and smart chemosensor (DSA) has been developed using Schiff base ligand for highly sensitive and selective colorimetric detection of Al3+/ Cu2+ in partial aqueous DMSO mixture (1:1) as a solvent medium. It showed a rapid fluorescence response (∼ 10 Sec) with Al3+ as greenish yellow from weak orange fluorescence while, Cu2+ ions affords yellow colour from fade orange colour and it can be sensed even by naked eyes. Besides showing great selectivity, the probe gives a lower sensitivity of 20 nM for Al3+ and 0.27 μM for Cu2+ in the fluorescence and UV‐vis. spectral studies respectively. The solid state colorimetric and fluorescence changes of the probe were examined in silica supported TLC plates. The sensing mechanism of the proposed probe in the presence of Al3+ and Cu2+ was determined with the support of a job's plot, 1H‐NMR, ESI‐Mass and theoretical (DFT) analysis. Based on the observed results from the absorbance and fluorescence spectroscopic studies, a logic circuit was designed with the combination of OR, NOT and AND logic gates. Moreover, the probe DSA has been employed for live cell imaging to detect Al3+ ions in C6 glioma cells and it showed a good cell permeability and efficiency in the detection of Al3+ ions.
Isolation and Quantification of Alternariols from Endophytic Fungus, Alternaria alternata: LC‐ESI‐MS/MS Analysis
Authors: Deshidi Ramesh , Devari Shekaraiah , Kushwaha Manoj , Gupta Ajai P. , Sharma Rashmi , Chib Reena , Khan Inshad A. , Jaglan Sundeep , Shah Bhahwal Ali 
Published: January 2017

AbstractAn endophytic fungus, Alternaria alternata was isolated from Grewia asiatica. Upscaling of the fermentation broth led to the isolation of a new structural isomer of alternariol (3), along with alternariol (1) and alternariol 9‐methyl ether (2). Additionally, an LC‐ESI‐MS/MS method was developed for the simultaneous detection and quantification of 1–3 through multiple reaction monitoring (MRM). The limit of quantification (LOQ) and detection (LOD) were fewer than 5.0, 2.0, 0.3 and 1.5, 0.7, 0.1 μg/ml, respectively for 1–3. Furthermore, 1 and 3 showed significant activity against gram‐positive bacteria, Staphylococcus aureus and 1 displayed MIC comparable to that of ciprofloxacin against VRE and MRSA.
Comprehensive Synthesis of Photoreactive Phenylthiourea Derivatives for the Photoaffinity Labeling
Authors: Ishida Akiko , Wang Lei , Tachrim Zetryana Puteri , Suzuki Takeyuki , Sakihama Yasuko , Hashidoko Yasuyuki , Hashimoto Makoto 
Published: January 2017

AbstractPhenylthiourea (PTU) is well known as bioactive compound and one of the reversible inhibitors for tyrosinase. Tyrosinase plays very important roles for tyrosine metabolisms to maintain the skin homeostasis from sunlight with forming melanin. Synthesis of photoaffinity label reagents of PTU will be attractive thesis to elucidate functional analysis for tyrosinase.
Donor Substituted Pyrazabole Monomers and Dimers: Design, Synthesis and Properties
Authors: Patil Yuvraj , Jadhav Thaksen , Dhokale Bhausaheb , Butenschön Holger , Misra Rajneesh 
Published: January 2017

AbstractWe report the design and synthesis of ferrocene and triphenylamine substituted D–π– A–π–D and D–π–A–π–A–π–D type of symmetrical pyrazabole monomers (3 and 5) and dimers (6 and 7). Their optical, thermal, electrochemical and computational properties were investigated. The electronic absorption spectra of pyrazaboles 3−7 exhibit absorption bands in UV region. The TGA study reveals that pyrazaboles 3−7 show good thermal stability and pyrazabole monomers are thermally more stable as compared to pyrazabole dimers. The electrochemical studies show that pyrazaboles 3−7 exhibits one reversible oxidation and two reduction waves. The theoretical investigation shows that the triphenylamine substituted pyrazaboles (5 and 7) exhibit low HOMO − LUMO gap values compared to ferrocenyl pyrazaboles (3 and 6).
Hydrogenolysis of Benzyl Protected Phenols and Aniline Promoted by Supported Palladium Nanoparticles
Authors: Albano Gianluigi , Evangelisti Claudio , Aronica Laura Antonella 
Published: January 2017

AbstractA preliminary study was conducted on the hydrogenolysis of benzyl protected substrates using palladium nanoparticles supported on different inorganic and organic matrices, under mild experimental conditions (1 mol% Pd, T=35 °C, PH2=1 atm). The activity of commercially available Pd/C systems was compared with that of nanosized catalysts prepared by the Metal Vapour Synthesis (MVS) technique. MVS‐derived systems resulted more efficient, affording phenols and aniline with complete chemoselectivity. Preliminary investigation on metal leaching during the reactions, indicated the presence of very low amount of palladium in solution, thus suggesting a heterogeneous behavior of the catalysts
Steroidal Mineralocorticoid Receptor Antagonists: Synthesis and Biology
Authors: Yarnold Christopher , Bainbridge J. Marie , Boehm Helen S. , Brewer Mark , Courtney Stephen , Deboves Hervé , Di Lucrezia Raffaella , Giles Paul , Hamelin Estelle , Jungmann Jörn , Leonardi Amedeo , Meniconi Mirco , Riva Carlo , Scheel Andreas , Selvaratnam Suganthan , Shanmugathasan Sakthi , Sironi Giorgio , Tavecchia Paolo , Willows David 
Published: January 2017

AbstractThe development of selective steroidal mineralocorticoid receptor antagonists with improved pharmacological profiles over existing marketed drugs is an attractive goal. Such compounds offer potential for the treatment of hypertension, heart failure and renal disease. With this aim, new spirolactones were prepared exploring substitutions at carbons 6, 7, 9–11, 15–16 and 21. Spirolactones 11 a and 20 were identified with promising biological profiles. Both compounds restored Na+/K+ ratios to physiological levels in an in vivo model
Liquid Crystal Organization of Calix[4]arene‐Appended Schiff Bases and Recognition towards Zn2+
Authors: Romero Judith , Barberá Joaquín , Blesa María‐Jesús , Concellón Alberto , Romero Pilar , Serrano José Luis , Marcos Mercedes 
Published: January 2017

AbstractThe synthesis and liquid crystalline behavior of new calixarene Schiff base derivatives are reported. The materials were obtained by reaction of a tetraaminocalix[4]arene derivative with three aldehydes as mesogenic promotor moieties: 4‐(4′‐decyloxybenzoyloxy)benzaldehyde (A), 4‐(4′‐decyloxybenzoyloxy)salicylaldehyde (B) and 4‐(3′,4′‐didecyloxybenzoyloxy)salicylaldehyde (C). All of the compounds exhibit liquid crystalline properties and these were studied by optical microscopy, DSC and X‐ray diffraction. The relationship between the structure and the mesomorphic behavior of the compounds is discussed. The binding recognition and selectivity towards cations have been studied by absorption and fluorescence spectroscopy
Ethylzinc‐ and Zinc–bis–fluoroalkoxides
Authors: Petersen Thies Olaf , Weigel Simon , Kratzert Daniel , Fischer Anna , Krossing Ingo 
Published: January 2017

AbstractWe describe synthesis routes from fluorinated ethylzinc alkoxides to ether adducts of fluorinated binary homoleptic zinc alkoxides with fluorinated residues such as ORF (OC(CF3)3), ORHF (OC(H)(CF3)2), ORHT (OC(CH3)(CF3)2), ORAF (perfluoroadamantoxy) and ORCY (OC(CF3)(CF2)5). Their structures depend on the nature of the fluorinated residue: perfluorinated alkoxides ORXF tend to give monomeric ether adducts (ether)2Zn(ORXF)2, while partially fluorinated residues ORYF lead to dimers of type (ether)(YFRO)Zn(μ‐ORYF)2Zn(ORYF)(ether). The monomeric (Et2O)2Zn(ORF)2 was tested for its possibility to form fluorine doped zinc oxide upon thermal decomposition in inert atmosphere. Indeed, upon thermal degradation, homogenously doped materials (EDX mapping) with fluoride contents of 5.5 to 6 weight‐% form (EDX, ion chromatography).
Liquid Phase Furfural Hydrotreatment to 2‐Methylfuran with Carbon Supported Copper, Nickel, and Iron Catalysts
Authors: Jaatinen Salla K. , Karinen Reetta S. , Lehtonen Juha S. 
Published: January 2017

AbstractIn this study inexpensive, non‐toxic, and noble metal free mono‐ and bimetallic catalysts on activated carbon were tested in liquid phase catalytic furfural hydrotreatment to a potential biofuel component 2‐methylfuran. High yields of 2‐methylfuran were achieved in the study, the highest yield was achieved with 10 wt‐% Ni/C (48.9%) in 120 minutes and good results were obtained also with bimetallic 2/2 wt‐% CuNi/C and CuFe/C (yield 44.2 and 41.0%, respectively). These high yields were achieved applying significantly shorter reaction time (60 – 120 min) compared to many published studies. The activity of nickel catalysts was very high resulting eventually in further hydrogenation of 2‐methylfuran. With increasing nickel loading also ring‐opening and decarbonylation reactions were promoted. Addition of iron to nickel was beneficial for decreasing decarbonylation and other side reactions. Copper/nickel and copper/iron combinations were observed to have beneficial interaction as activity and selectivity to MF increased significantly.