bluuebunny/crossref_metadata_2025_split huggingface dataset:
2H‐Pyran‐2‐one and 2H‐Furan‐2‐one Derivatives from the Plant Endophytic Fungus Pestalotiopsis fici
Authors: Liu Shuchun , Liu Xiangyu , Guo Liangdong , Che Yongsheng , Liu Ling 
Published: November 2013

AbstractTwo new α‐pyrones (=2H‐pyran‐2‐ones), ficipyrones A and B (1 and 2, resp.), and two new α‐furanones (=2H‐furan‐2‐ones), ficifuranones A and B (3 and 4, resp.), together with three known metabolites, antibiotic F 0368 (5), hydroxyseiridin (6), and hydroxyisoseiridin (7), were isolated from solid cultures of the plant endophytic fungus Pestalotiopsis fici. Their structures were elucidated primarily by NMR spectroscopy, and the absolute configuration of 1 was deduced from the circular‐dichroism (CD) data. Compound 1 showed antifungal activity against the plant pathogen Gibberella zeae (CGMCC 3.2873) with an IC50 value of 15.9 μM.
Secondary Metabolites from Pinus mugoTurra subsp. mugo Growing in the Majella National Park (Central Apennines, Italy)
Authors: Venditti Alessandro , Serrilli Anna Maria , Vittori Sauro , Papa Fabrizio , Maggi Filippo , Di Cecco Mirella , Ciaschetti Gianpiero , Bruno Maurizio , Rosselli Sergio , Bianco Amandodoriano 
Published: November 2013

AbstractIn this study, we examined the composition regarding secondary metabolites of P. mugo Turra ssp. mugo growing in the protected area of Majella National Park, which is the southernmost station of the habitat of this species. Both the nonpolar and polar fractions were considered. In particular, the essential‐oil composition showed a high variety of compounds, and 109 compounds were detected, and 101 were identified, among which abietane‐type compounds have a taxonomic relevance. Abietanes were also isolated from the polar fraction, together with an acylated flavonol and a remarkably high amount of shikimic acid.
Interactions of Platinum and Ruthenium Coordination Complexes with Pancreatic Phospholipase A2 and Phospholipids Investigated by MALDI TOF Mass Spectrometry
Authors: Kamčeva Tina , Radisavljević Maja , Vukićević Iva , Arnhold Jürgen , Petković Marijana 
Published: November 2013

AbstractPhospholipase A2 is involved in propagation of inflammatory processes and carcinogenesis through its role in phospholipid metabolism, and release of arachidonic acid and lysophospholipids. Recent findings on correlation between elevated PLA2 activity and metastatic cancer render this enzyme an attractive target for cancer therapy. On the other hand, due to a broad range of oxidation states under physiological conditions and a high affinity for protein binding, platinum and ruthenium coordination complexes are promising candidates for PLA2 inhibitors. In this article, we discuss the interactions of Pt and Ru coordination complexes with PLA2 and phospholipids, as well as the application of MALDI‐TOF mass spectrometry for screening PLA2 inhibitors. Owing to the ability of this technique to simultaneously detect and monitor changes in substrate and product concentrations, the inhibitor mechanisms of both Pt and Ru complexes with various ligands were determined.
Essential‐Oil Polymorphism in the ‘Resurrection Plant’ Myrothamnus moschatus and Associated Ethnobotanical Knowledge
Authors: Randrianarivo Emmanuel , Rasoanaivo Philippe , Nicoletti Marcello , Razafimahefa Solofoniaina , Lefebvre Manon , Papa Fabrizio , Vittori Sauro , Maggi Filippo 
Published: November 2013

AbstractGas chromatography/mass spectroscopy analysis (GC/MS) of essential oils obtained from populations of the resurrection plant Myrothamnus moschatus, growing in different areas of Madagascar, allowed identification of three main chemotypes in the species. The first one was provided by plants with a high content of trans‐pinocarveol and pinocarvone; the second one involved plants with high percentages of limonene, cis‐ and trans‐p‐mentha‐1(7),8‐dien‐2‐ol, and β‐selinene; and the third chemotype was characterized by plants with high levels of oxygenated sesquiterpenes such as caryophyllene oxide and α‐ and β‐isomers of caryophylla‐4(12),8(13)‐dien‐5‐ol. Chemical data were supported by chemometric technique as the principal component analysis. Furthermore, the relationship between the dioecy and phytochemistry within one population was also considered. Finally, correlations between chemical variations and ethnobotanical data were assessed.
Phytomorphological and Essential‐Oil Characterization in situ and ex situ of Wild Biotypes of Oregano Collected in the Campania Region (Southern Italy)
Authors: De Falco Enrica , Roscigno Graziana , Iodice Carmela , Senatore Felice 
Published: November 2013

AbstractOregano is an aromatic species of great interest, which spreads spontaneously over the Mediterranean area, but its genetic resources are not yet adequately developed. Moreover, the results of studies of wild strains of different origin – although quite numerous – are not always comparable, and, therefore, the influence of the environment and genotype on the variability cannot be distinguished. Hence, the plant morphology and the essential‐oil composition of three wild, white‐flowering biotypes of oregano collected in the Campania region (southern Italy) were characterized, and the effects of genotype and environment were assessed by comparison in situ and ex situ. This allowed deducing that the biotypes belonged to two different subspecies, i.e., Origanum vulgare ssp. virens and O. vulgare ssp. viridulum. The essential‐oil yield was higher for the biotype belonging to ssp. virens, and it was significantly correlated with the glandular and stomatal density. The chemical composition of the oils obtained by hydrodistillation was found to be influenced by the genotype and the conditions of plant growth.
Volatiles of Geranium purpureumVill. and Geranium phaeum L.: Chemotaxonomy of Balkan Geranium and Erodium Species (Geraniaceae)
Authors: Radulović Niko S. , Dekić Milan S. 
Published: November 2013

AbstractThe essential oils obtained by hydrodistillation of Geranium purpureum and G. phaeum were characterized by GC‐FID and GC/MS analyses (the former for the first time in general). In total, 154 constituents were identified, accounting for 89.0–95.8% of the detected GC peak areas. The investigated essential oils consisted mainly of fatty acids and fatty‐acid‐derived compounds (45.4–81.3%), with hexadecanoic acid and (E)‐phytol as the major components. The chemotaxonomic significance of the variations in the essential‐oil composition/production of the presently and previously investigated Geranium and highly related Erodium taxa from Serbia and Macedonia was assessed by multivariate statistical analyses. The main conclusions drawn from the high chemical similarity of the two genera, visible from the obtained dendrograms and biplots, confirm the close phylogenetic relationship between the investigated Geranium and Erodium taxa, i.e., that there is no great intergeneric oil‐composition variability. Changes in the composition and production of essential oils of the herein investigated taxa and 60 other randomly chosen species belonging to different plant genera were also statistically analyzed. The results put forward pro arguments for the oil‐yield–oil‐composition correlation hypothesis.
Growth and development in thanatophoric dysplasia – an update 25 years later
Authors: Nikkel Sarah M. , Major Nathalie , King W. James. 
Published: November 2013

Key Clinical MessageThanatophoric dysplasia is typically a neonatal lethal condition. However, for those rare individuals who do survive, there is the development of seizures, progression of craniocervical stenosis, ventilator dependence, and limitations in motor and cognitive abilities. Families must be made aware of these issues during the discussion of management plans.
Numerical Study of the Collision and Coalescence of Water Droplets in an Electric Field
Authors: Mohammadi Mehdi , Shahhosseini Shahrokh , Bayat Mahmoud 
Published: November 2013

AbstractThe coalescence of binary water droplets in oil exposed to an external electric field is simulated using a model including both electrostatic and hydrodynamic sections. Available mathematical models for electric dipole‐dipole force are presented in the first part of the model. Volume of Fluid approach is applied in the second part of the model. The simulation results were in good agreement with the published experimental observations. The results indicated that an improvement in electrocoalescence speed could be achieved. It was also revealed that the skew angle of the electric field, the oil viscosity, and the initial drops distance influence the electrocoalescence. Moreover, a correlation was developed to predict electrocoalescence kinetic as a function of the participant parameters.
Optimization a Gasoil Vacuum Dryer Using Response Surface Methodology
Authors: Narimani Elhameh , Alaei Kadijani Javad 
Published: November 2013

AbstractA laboratory‐scale vacuum dryer with gasoil as feed was investigated based on response surface methodology (RSM). Dehydration efficiency and gasoil loss in this type of vacuum dryer are significantly affected by residence time, temperature, and pressure as independent variables, therefore, central composite face‐centered design of RSM with three levels of these variables was applied to design the experiments. Experimental data of dehydration efficiency and gasoil loss fitted well to the second‐order quadratic polynomials using a statistical software program and predictive models of dehydration efficiency and gasoil loss were obtained. An increase in temperature and residence time and a decrease in pressure could improve dehydration efficiency and gasoil loss. The estimated model of gasoil loss was minimized to reach a particular amount of dehydration efficiency.
A fast alternating direction implicit algorithm for geometric flow equations in biomolecular surface generation
Authors: Tian Wufeng , Zhao Shan 
Published: November 2013

SUMMARYIn this paper, a new alternating direction implicit (ADI) method is introduced to solve potential driven geometric flow PDEs for biomolecular surface generation. For such PDEs, an extra factor is usually added to stabilize the explicit time integration. However, two existing implicit ADI schemes are also based on the scaled form, which involves nonlinear cross derivative terms that have to be evaluated explicitly. This affects the stability and accuracy of these ADI schemes. To overcome these difficulties, we propose a new ADI algorithm based on the unscaled form so that cross derivatives are not involved. Central finite differences are employed to discretize the nonhomogenous diffusion process of the geometric flow. The proposed ADI algorithm is validated through benchmark examples with analytical solutions, reference solutions, or literature results. Moreover, quantitative indicators of a biomolecular surface, including surface area, surface‐enclosed volume, and solvation free energy, are analyzed for various proteins. The proposed ADI method is found to be unconditionally stable and more accurate than the existing ADI schemes in all tests. This enables the use of a large time increment in the steady state simulation so that the proposed ADI algorithm is very efficient for biomolecular surface generation. Copyright © 2013 John Wiley & Sons, Ltd.
Color appearance and color connotation models for unrelated colors
Authors: Koo Bonseok , Kwak Youngshin 
Published: November 2013

AbstractThe purpose of this research is to investigate the color appearance and color connotation of unrelated colors. To investigate color appearance (i.e., brightness, colorfulness, and hue) for unrelated colors, 22 observers have answered their color appearance for 50 unrelated color stimuli using the magnitude estimation method. Perceptual data obtained by the experiment is compared with the color attributes data estimated by unrelated‐color appearance models, CAM97u and CAM02u. It is found that both models perform reasonably well but the performance of CAM02u is better than that of CAM97u. For investigating color connotation for unrelated colors, 32 observers have judged their color connotation for the 50 unrelated color stimuli using the 10 color connotation scales (i.e., “Warm – Cool,” “Heavy – Light,” “Modern – Classical,” “Clean – Dirty,” “Active – Passive,” “Hard – Soft,” Tense – Relaxed,” “Fresh – Stale,” “Masculine – feminine,” and “like – Dislike”), and semantic differential method is used for measurement. It is found that the color connotation models developed for related colors perform poorly for unrelated colors. Experimental results indicate that brightness attribute is confusing to estimate and does not affect color connotation significantly for unrelated colors. Based on the psychophysical data, new models for “Warm‐Cool”, “Heavy‐Light”, “Active‐Passive” and “Hard‐Soft” were proposed using CAM02u hue, brightness, and colorfulness. Color connotations for unrelated colors are classified into three categories, which “Color solidity,” “Color heat,” and “Color purity.” © 2013 Wiley Periodicals, Inc. Col Res Appl, 40, 40–49, 2015
Synthesis and Antimetastatic Effects of E‐Salignone Amide Derivatives
Authors: Wang Hong‐Ling , Qin Nan , Liu Jia , Jin Mei‐Na , Zhang Xiang , Jin Mei‐Hua , Kong Dexin , Jiang Shen‐De , Duan Hong‐Quan 
Published: November 2013

Abstract

Preclinical Research

The preparation of novel E‐salignone derivatives and their biological evaluation as potential antimetastatic agents is described. The E‐salignone amide derivatives were prepared from epiandrosterone and androsterone, and characterized by analytical 1H NMR, 13C NMR, and mass spectrometry. The derivatives were evaluated for antimetastatic activity in MDA‐MB‐231 cells by using a transwell assay. Comparing with the positive control, LY294002, compounds 19b, 19d, and 19e exhibited significant inhibitory effects on the EGF‐induced invasion of MB‐MDA‐231 cells. Moreover, compound 19b also had antimigration effects in wound‐healing assay. Compound 19b may represent a novel antimetastatic agent for treating breast cancer.
Embryonic response to long‐term exposure of the marine crustacean Nephrops norvegicus to ocean acidification and elevated temperature
Authors: Styf Hannah K. , Nilsson Sköld Helen , Eriksson Susanne P. 
Published: November 2013

AbstractDue to anthropogenic CO2 emissions, our oceans have gradually become warmer and more acidic. To better understand the consequences of this, there is a need for long‐term (months) and multistressor experiments. Earlier research demonstrates that the effects of global climate change are specific to species and life stages. We exposed berried Norway lobsters (Nephrops norvegicus), during 4 months to the combination of six ecologically relevant temperatures (5–18°C) and reduced pH (by 0.4 units). Embryonic responses were investigated by quantifying proxies for development rate and fitness including: % yolk consumption, mean heart rate, rate of oxygen consumption, and oxidative stress. We found no interactions between temperature and pH, and reduced pH only affected the level of oxidative stress significantly, with a higher level of oxidative stress in the controls. Increased temperature and % yolk consumed had positive effects on all parameters except on oxidative stress, which did not change in response to temperature. There was a difference in development rate between the ranges of 5–10°C (Q10: 5.4) and 10–18°C (Q10: 2.9), implicating a thermal break point at 10°C or below. No thermal limit to a further increased development rate was found. The insensitivity of N. norvegicus embryos to low pH might be explained by adaptation to a pH‐reduced external habitat and/or internal hypercapnia during incubation. Our results thus indicate that this species would benefit from global warming and be able to withstand the predicted decrease in ocean pH in the next century during their earliest life stages. However, future studies need to combine low pH and elevated temperature treatments with hypoxia as hypoxic events are frequently and increasingly occurring in the habitat of benthic species.
A Facile Synthesis of Multifunctional Iron Oxide@Ag Core–Shell Nanoparticles and Their Catalytic Applications
Authors: Sharma Geetu , Jeevanandam Pethaiyan 
Published: November 2013

AbstractA facile approach for the synthesis of iron oxide@Ag core–shell nanoparticles in which iron oxide microspheres serve as the core and the shell consists of silver nanoparticles has been reported. Thermal decomposition of silver acetate at 200 °C in the presence of iron oxide microspheres in diphenyl ether leads to the formation of iron oxide@Ag core–shell nanoparticles. The core–shell nanoparticles were characterized using powder X‐ray diffraction, diffuse reflectance spectroscopy, field emission scanning electron microscopy coupled with energy‐dispersive X‐ray analysis, transmission electron microscopy, and magnetic measurements. The catalytic activity of iron oxide@Ag core–shell nanoparticles has been demonstrated by using two reactions, namely, reduction of 4‐nitrophenol and reduction of methylene blue in aqueous solution.
Acridone–Pterocarpan Conjugate: A Hybrid Molecular Probe for Recognition of Nucleic Acids
Authors: Chattopadhyay Shital K. , Maitra Ratnava , Kundu Indranil , Jana Manoranjan , Mandal Sushil K. , Khuda‐Bukhsh Anisur Rahman 
Published: November 2013

AbstractChemical fusion of a naturally occurring pharmacophore (pterocarpan) with a fluorophore (acridone) by thermally induced cascade sigmatropic rearrangement leads to the formation of a structurally different class of DNA binding ligands. Competitive binding assay in the presence of a classical minor groove binder shows the possibility of DNA minor groove binding by the ligand 4a. High cell viability of the prepared molecular probes was of utility for nuclear staining as well as cell cycle analysis through fluorescence‐activated cell sorting (FACS).
Copper‐ and Phosphane‐Free Sonogashira Coupling of Arenediazonium o‐Benzenedisulfonimides
Authors: Barbero Margherita , Cadamuro Silvano , Dughera Stefano 
Published: November 2013

AbstractArenediazonium o‐benzenedisulfonimides can be used as efficient reagents in Sonogashira coupling reactions. In this work, reactions were carried out in DMSO under very mild conditions (without copper or phosphanes), and gave rise to arylated alkynes in good to excellent yields (25 examples, average yield 83 %). o‐Benzenedisulfonimide could be recovered from all the reactions in yields of >80 %, so it could be recycled for the preparation of other diazonium salts. Mechanistic insights revealed the fundamental roles of DMSO and the anion of o‐benzenedisulfonimide in the formation of the catalyst, and also the importance of DMSO in the catalytic cycle.
3,3′‐Diiodo‐BINOL‐Fused Maleimides as Chiral Hypervalent Iodine(III) Organocatalysts
Authors: Brenet Simon , Berthiol Florian , Einhorn Jacques 
Published: November 2013

AbstractOriginal and readily available 3,3′‐diiodo‐BINOL‐fused maleimides were designed as hypervalent iodine(III) organocatalysts. They were used in intermolecular oxidation reactions at the α‐position of ketones. The expected products were obtained with yields and enantiomeric excesses that were comparable to the best reported values achieved using structurally different organocatalysts.
Fabrication of an Electrochemical Sensor Based on Multiwalled Carbon Nanotubes for Almotriptan
Authors: Narayan Prashanth S. , Teradal Nagappa L. , Kalanur Shankara S. , Seetharamappa J. 
Published: November 2013

AbstractIn the present work, the electrochemical behavior of an antimigraine drug, almotriptan malate (ALM), on a multiwalled carbon nanotube (MWCNT) film modified glassy carbon electrode under cyclic voltammetry was described for the first time. A significant enhancement in the oxidation peak current of ALM was noticed at MWCNT‐GCE. This property was exploited to develop a simple, sensitive and time‐saving differential pulse voltammetric method for the determination of ALM in bulk and pharmaceutical samples. A linear relationship was observed between concentration and peak current with a correlation coefficient of 0.9915 in the range of 0.25–37.5 µM ALM.
Power of Family‐Based Association Designs to Detect Rare Variants in Large Pedigrees Using Imputed Genotypes
Authors: Saad Mohamad , Wijsman Ellen M. 
Published: November 2013

ABSTRACTRecently, the “Common Disease‐Multiple Rare Variants” hypothesis has received much attention, especially with current availability of next‐generation sequencing. Family‐based designs are well suited for discovery of rare variants, with large and carefully selected pedigrees enriching for multiple copies of such variants. However, sequencing a large number of samples is still prohibitive. Here, we evaluate a cost‐effective strategy (pseudosequencing) to detect association with rare variants in large pedigrees. This strategy consists of sequencing a small subset of subjects, genotyping the remaining sampled subjects on a set of sparse markers, and imputing the untyped markers in the remaining subjects conditional on the sequenced subjects and pedigree information. We used a recent pedigree imputation method (GIGI), which is able to efficiently handle large pedigrees and accurately impute rare variants. We used burden and kernel association tests, famWS and famSKAT, which both account for family relationships and heterogeneity of allelic effect for famSKAT only. We simulated pedigree sequence data and compared the power of association tests for pseudosequence data, a subset of sequence data used for imputation, and all subjects sequenced. We also compared, within the pseudosequence data, the power of association test using best‐guess genotypes and allelic dosages. Our results show that the pseudosequencing strategy considerably improves the power to detect association with rare variants. They also show that the use of allelic dosages results in much higher power than use of best‐guess genotypes in these family‐based data. Moreover, famSKAT shows greater power than famWS in most of scenarios we considered.
Copper‐Catalyzed Synthesis of 2H‐Thiopyran Derivatives from Alkynes, Sulfonyl Azides, Carbon Disulfide, and Malononitrile
Authors: Yavari Issa , Nematpour Manijeh , Tavakoli Ziba 
Published: November 2013

AbstractA one‐pot synthesis of functionalized thiopyran derivatives via a Cu‐catalyzed multicomponent reaction of sulfonyl azides, arylacetylenes and dipotassium 2,2‐dicyanoethylene‐1,1‐dithiolate, generated from malononitrile and CS2, has been developed. When alkylacetylenes were used as the terminal alkynes, N‐(alkanethioyl)‐N‐(2,2‐dicyanoethanethioyl)methanesulfonamides were obtained in good yields.
Dimerization of Dimethyl 2‐(Naphthalen‐1‐yl)cyclopropane‐1,1‐dicarboxylate in the Presence of GaCl3 to [3+2], [3+3], [3+4], and Spiroannulation Products
Authors: Novikov Roman A. , Tomilov Yury V. 
Published: November 2013

AbstractIn the presence of a catalytic amount of GaCl3, dimethyl 2‐(naphthalen‐1‐yl)cyclopropane‐1,1‐dicarboxylate 5 undergoes selective [3+2]‐annulation‐type dimerization to give a polysubstituted cyclopentane containing two naphthalenyl substituents in the vicinal position (Scheme 2). Treatment of the same cyclopropane with an equimolar amount of GaCl3⋅THF results in dimerization with electrophilic attack on each of the benzene rings to give [3+3] and [3+4] annulation products. The latter represent a new type of dimerization of donoracceptor cyclopropanes. Finally, under conditions of double catalysis with GaCl3, 3,3,5,5‐tetrasubstituted 4,5‐dihydropyrazole, this cyclopropane‐dicarboxylate undergoes stereospecific dimerization as a result of electrophilic ipso‐attack to give a tetracyclic pentaleno[6a,1‐a]naphthalene derivative (Scheme 5). Possible reaction mechanisms are proposed.