bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemical Composition, Seasonal Variation, and Biosynthetic Considerations of Essential Oils from Baccharis microdonta and B. elaeagnoides (Asteraceae)
Authors: Sayuri Viviane A. , Romoff Paulete , Fávero Oriana A. , Ferreira Marcelo J. P. , Lago João H. G. , Buturi Fátima O. S. 
Published: November 2010

AbstractThe chemical composition and seasonal variation throughout one year of the essential oils from leaves of Baccharis microdonta and B. elaeagnoides, collected in Campos do Jordão, SP, were investigated. The composition of the latter species has been described for the first time. By GC (RI) and GC/MS analysis, 43 compounds were identified, and a predominance of oxygenated sesquiterpene derivatives was found in both species. The main components of the B. microdonta oils were elemol (31; 11.7–30.6%), spathulenol (34; 4.7–9.1%), β‐caryophyllene (19; 3.7–6.2%), and germacrene D (24; 2.9–12.2%), and those of the B. elaeagnoides oils were 34 (10.1–21.5%), viridiflorol (35; 3.6–18.4%), 24 (0.9–13.8%), and 19 (3.5–9.4%). The identified compounds were grouped according to their respective C‐skeletons, and the percentages of occurrence of the C‐skeletons in the essential oils of leaves collected in the four seasons allowed identifying the preferential accumulation of different types of C‐skeletons as well as the seasonal variation of the biosynthetic routes over the studied period.
Antimicrobial Peptides and Their Superior Fluorinated Analogues: Structure–Activity Relationships as Revealed by NMR Spectroscopy and MD Calculations
Authors: Díaz M. Dolores , Palomino‐Schätzlein Martina , Corzana Francisco , Andreu Cecilia , Carbajo Rodrigo J. , del Olmo Marcellí , Canales‐Mayordomo Angeles , Pineda‐Lucena Antonio , Asensio Gregorio , Jiménez‐Barbero Jesús 
Published: November 2010

AbstractThe conformations of two synthetic pentapeptides with antimicrobial activity and their 4‐fluorophenylalanine (Pff)‐containing analogues (ArXArXAr‐NH2; Ar=Phe, Pff; X=Lys, Arg) have been studied. NMR experiments carried out both in aqueous fluoroalcohol solutions and SDS micelles permitted their interactions with membrane‐like environments to be explored. WaterLOGSY experiments and Mn2+‐based paramagnetic probes were also applied to assess their orientations with respect to the SDS micelles. In addition, pulse‐field gradient (PFG) diffusion NMR spectroscopy studies were conducted, under different experimental conditions (i.e., concentration, temperature) to characterize the possible changes in the peptides' aggregation states as a putative critical factor for their antimicrobial activity. Finally, molecular dynamics simulations on a variety of conformations showed the intrinsic flexibility of these peptides in both aqueous solutions and membrane‐mimetic systems.
Nanoscale Self‐Hosting of Molecular Spin‐States in the Intermediate Phase of a Spin‐Crossover Material
Authors: Bréfuel Nicolas , Collet Eric , Watanabe Hiroshi , Kojima Masaaki , Matsumoto Naohide , Toupet Loic , Tanaka Koichiro , Tuchagues Jean‐Pierre 
Published: November 2010

AbstractA new spin‐crossover (SC) complex [FeIIH2L2‐Me][AsF6]2 has been synthesized, in which H2L2‐Me denotes the chirogenic hexadentate N6 Schiff‐base ligand bis{[(2‐methylimidazol‐4‐yl)methylidene]‐3‐aminopropyl}ethylenediamine. This complex has revealed a rich variety of phases during its two‐step thermal crossover, as well as photoinduced spin‐state switching. A high‐symmetry high‐spin (HS, S=2) phase, a low‐symmetry low‐spin (LS, S=0) phase, an intermediate phase characterized by an unprecedented lozenge pattern of 12 predominantly HS molecular crystallographic sites confining 18 predominantly LS molecular crystallographic sites, and a photoinduced low‐symmetry HS phase have been accurately evidenced by temperature‐dependent magnetic susceptibility, Mössbauer spectroscopy, and crystallographic studies. This variety of phases illustrates the multi‐stability of this system, which results from coupling between the electronic states and structural instabilities.
Surface Modification of Polymeric Micelles by Strain‐Promoted Alkyne–Azide Cycloadditions
Authors: Guo Jun , Chen Guojun , Ning Xinghai , Wolfert Margreet A. , Li Xiuru , Xu Bingqian , Boons Geert‐Jan 
Published: November 2010

AbstractOrganomicelles modified by surface dibenzylcyclooctyne moieties can conveniently be functionalized by strain‐promoted alkyne–azide cycloadditions. The ligation approach is highly efficient, does not require toxic reagents and is compatible with a wide variety of functional modules. Interactions of proteins with surface ligands of the micelles have been studied by AFM, which revealed that it leads to disassembly of the particles thereby providing a mechanism for triggered drug release.
Breakage Probability of Irregularly Shaped Particles by Impact Stressing
Authors: Aman Sergej , Tomas Jürgen , Kalman Haim 
Published: November 2010

AbstractBei der Prallbeanspruchung einzelner Partikel wurde die Verteilung der Bruchenergie untersucht. Als unregelmäßig geformte Partikel wurden Salzpartikel des Toten Meeres, Zuckerkristalle und kugelförmige Al2O3‐Granulate verwendet. Die Partikelform und das Kontaktverhalten beim Aufprall wurden mit Hilfe eines Halbkugel‐Modells angenähert. Basierend auf den Modellvorstellungen lassen sich alle gewonnen experimentellen Bruchwahrscheinlichkeitsverteilungen mit der Monte‐Carlo‐Methode simulieren. Die engen Größenklassen der getesteten Partikel werden durch breitere, logarithmische Normalverteilungen der halbkugelförmigen Rauigkeiten ersetzt. Die Simulation zeigt eine gute Übereinstimmung mit den experimentellen Ergebnissen.
Differential expression of dopaminergic cell markers in the adult zebrafish forebrain
Authors: Yamamoto Kei , Ruuskanen Jori O. , Wullimann Mario F. , Vernier Philippe 
Published: November 2010

AbstractAlthough the simultaneous presence of tyrosine hydroxylase (TH), aromatic amino acid decarboxylase (AADC), dopamine transporter (DAT), and vesicular monoamine transporter 2 (VMAT2) is considered as a phenotypic signature of dopamine (DA) neurons, it has been suggested that they are not uniformly expressed in all dopaminergic brain nuclei. Moreover, in nonmammalian vertebrates, two tyrosine hydroxylase genes (TH1 and TH2) are found, and they exhibit different expression patterns in zebrafish brains. Here we present a detailed description of the distribution of TH1, TH2, AADC, DAT, and VMAT2 transcripts, in relation to TH and DA immunoreactivity to better characterize dopaminergic nuclei in the adult zebrafish forebrain. TH2‐positive cells in the hypothalamus are strongly DA immunoreactive (DAir), providing direct evidence that they are dopaminergic. DAir cells are also found in most TH1‐positive or TH‐immunoreactive (THir) nuclei. However, the DAir signal was weaker than THir in the olfactory bulb, telencephalon, ventral thalamus, pretectum, and some posterior tubercular and preoptic nuclei. These cell populations also exhibited low levels of VMAT2 transcripts, suggesting that low DA is due to a lower vesicular DA accumulation. In contrast, cell populations with low levels of AADC did not always have low levels of DA. DAT transcripts were abundantly expressed in most of the TH1‐ or TH2‐positive territories. In addition, DAT and/or VMAT2 transcripts were found in some periventricular cell populations such as in the telencephalon without TH1 or TH2 expression. Thus, expression patterns of dopaminergic cell markers are not homogeneous, suggesting that the gene regulatory logic determining the dopaminergic phenotype is unexpectedly complex. J. Comp. Neurol. 519:576–598, 2011. © 2010 Wiley‐Liss, Inc.
Applying metamer sets to investigate data dependency of principal component analysis method in recovery of spectral data
Authors: Kandi S. Gorji , Tehran M. Amani 
Published: November 2010

AbstractPrincipal component analysis (PCA) has been widely studied for reconstruction of spectral reflectance of a color sample from its tristimulus values. One of the most important factors that influences the recovery performance is the characteristic of the data set used for obtaining principal vectors. In this article, we investigated the influence of color similarities or color differences between the recovered and principal component (PC) data sets on the reconstruction error. For this purpose, two metamer sets that have similar color differences with the recovered samples, are used. The results show that two metamer sets can make completely different performance in recovery of specific color samples. It was shown that the most important factor that influences the recovery of spectral reflectance by PCA method is the characteristics of the data set used for obtaining PC vectors independent of the recovered samples. Another factor that influences the performance of PCA for spectral recovery is the characteristic of the sample that would be recovered. Some spectral data cannot be recovered precisely even applying different PC data sets. © 2010 Wiley Periodicals, Inc. Col Res Appl, 2011
Optical implementation of spectral filtering for the enhancement of skin color discrimination
Authors: Nishino Ken , Kaarna Arto , Miyazawa Kanae , Oda Hirofumi , Nakauchi Shigeki 
Published: November 2010

AbstractLight reflected from an object contains a range of information about its physical and chemical properties. Changes in the physical properties of an object can sometimes be evident as barely detectable changes of color. Our earlier study (Proceedings of the 15th Color Imaging Conference, Albuquerque, New Mexico, 2007. p 195–200) proposed a method for designing a spectral filter to enhance visual discrimination. Two filters were designed: one to discriminate skin and vein colors on human arms, and other to discriminate human facial colors in the presence and absence of cosmetics. In this study, the filters with theoretically designed spectral transmittances were implemented as real optical filters. Visual inspection of RGB color images taken with a digital camera through the developed optical filters showed clear enhancement of discrimination of two preselected colors. © 2010 Wiley Periodicals, Inc. Col Res Appl, 2012
Surfactant‐Free Self‐Assembly of Nanocrystals into Ellipsoidal Architectures
Authors: Peng Bo , Chen Dong , Deng Zhengtao , Wen Ting , Meng Xianwei , Ren Xiangling , Ren Jun , Tang Fangqiong 
Published: November 2010

AbstractA simple approach to control the self‐assembly of ZnS nanocrystals into well‐defined, uniform, three‐dimensional, micrometer‐scale, solid ellipsoidal structures with rattle‐type, multishelled, and hollow architectures is presented. There is no surfactant or small molecule to assist the self‐assembly of the nanocrystals. A possible mechanism of the controlled self‐assembly is proposed. The growth process can be divided into two stages: 1) the formation of ellipsoidal architectures via oriented aggregation, the growth kinetics of which is primarily attributed to the charge–charge, charge–dipole, and dipole–dipole interactions of preformed ZnS nanocrystals; and 2) Ostwald ripening, which results in multishelled, rattle‐type, and hollow structures. This self‐assembly concept is also applicable to other metal sulfides.
High‐Resolution Surface Chemical Analysis of a Trifunctional Pattern Made by Sequential Colloidal Shadowing
Authors: Ogaki Ryosuke , Lyckegaard Folmer , Kingshott Peter 
Published: November 2010

AbstractWe present a new method for creating surface chemical patterns where three chemistries can be periodically arranged at alternate positions on a single substrate without the use of top‐down approaches. High‐resolution chemical imaging by time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), with nanometer spatial resolution, is used to prove the success of the patterning and subsequent chemical modification steps. We use a combination of colloidal self‐assembly, plasma etching, self‐assembled monolayers (SAMs) and physical vapour deposition (PVD). The method utilizes a double colloid assembly process in which a first layer of close‐packed colloids is created, followed by plasma etching, coating with gold and deposition of a first SAM layer. A second particle layer is deposited on top of the first layer masking the interstitial spaces containing the first SAM. A second gold layer is deposited followed by a second SAM. After particle removal the surface consists of the pattern containing two different SAMs and a SiO2 layer that can be readily functionalized with silanes. The possibility in the replacement of the two different thiols is investigated by X‐ray photoelectron spectroscopy (XPS) and it was found that no replacement is taking place. ToF‐SIMS imaging is used to show the periodicity of the chemical patterns by tracking unique fragment ions from the different surface regions. The patterning method is adaptable to create smaller or larger chemical patterns by appropriate choice of particle sizes. The patterns are useful for immobilizing biomolecules for cell studies or as multiplexed biosensors.
Catalytic Oxidative Dehydration of Glycerol over a Catalyst with Iron Oxide Domains Embedded in an Iron Orthovanadate Phase
Authors: Wang Feng , Xu Jie , Dubois Jean‐Luc , Ueda Wataru 
Published: November 2010

AbstractAn embedded catalyst for the oxidative dehydration of glycerol, featuring iron oxide (FeOx) domains on the surface of an iron orthovanadate (FeVO4) phase, is developed. Catalytic reactions are conducted in a fixed‐bed reactor at 300 °C with a feed composition N2/O2/H2O/glycerol=66.6:1.7:30.3:1.5. Catalytic results show that the catalyst exhibits a better performance than an FeOx catalyst prepared by impregnation and than a mixture of FeVO4 and Fe2O3. The best yield for acrylic acid was 14 %. The presence of FeOx domains on the surface of FeVO4 catalyzes the oxidation of acrolein to acrylic acid. The catalysts are characterized by a range of techniques. The interaction between the nanometer‐sized FeOx domains and the FeVO4 phase is strong enough to stabilize the FeOx and retain its high activity. The proximity of the two phases provides an environment for the dehydration of glycerol and the oxidation of acrolein to acrylic acid.
Spectrum of male breast lesions diagnosed by fine needle aspiration cytology: A 5‐year experience at a tertiary care rural hospital in central India
Authors: Singh Ranbeer , Anshu  , Sharma Satish M. , Gangane Nitin 
Published: November 2010

AbstractThis study examines the spectrum of lesions in the male breast at a tertiary care rural hospital in central India and explores the role of Fine Needle Aspiration Cytology (FNAC) in the diagnosis of these lesions.Male breast lesions formed 5.89% (119 cases) of the 2017 breast lesions which were sent for FNA in the cytology section over a period of 5 years (January 2005–December 2009). Of these, biopsy had been performed only on 37 (31.1%) patients. Benign lesions comprised 102 (85.7%) cases, malignant lesions comprised 14 (11.8%) cases and inflammation/abscess was found in 3 (2.5%) cases. Gynecomastia was the commonest benign lesion in 86 (84.3%) cases. The cytologic features of gynecomastia included mild to moderate cellularity, cohesive sheets of bland cells, bipolar bare nuclei. Mild nuclear atypia was found in 19 cases. The cytologic features of malignancy comprised of dyshesive groups of ductular cells with moderate to severe degree of nuclear atypia and absence of bare nuclei. Histology was done in 37 cases and diagnostic accuracy of FNAC for gynecomastia was 100% and for malignancy 85.7%.This study showed that FNAC is a reliable tool for diagnosing male breast lesions. We conclude that FNAC should be performed as a standard procedure in the clinical evaluation of male breast masses. Many unnecessary surgical biopsies for histopathologic diagnosis can thus be avoided. Diagn. Cytopathol. 2011. © 2010 Wiley Periodicals, Inc.
Synthesis and Structural Studies of Organotin(IV) and Organolead(IV) Thiophene‐2‐thiocarboxylate
Authors: Singh Suryabhan , Bhattacharya Subrato , Nöth Heinrich 
Published: November 2010

AbstractA few organotin(IV) ([R2SnCl2], [R3SnCl]; R = Me, Ph, nPr, or nBu) and organolead(IV) ([Ph2PbCl2], [Ph3PbCl]) compounds that contain the thiophene‐2‐thiocarboxylate ligand have been synthesized and characterized by 1H, 13C, 119Sn NMR; FTIR; and UV/Vis spectroscopy. The molecular structures of some of the compounds were studied by single‐crystal X‐ray diffraction. Structures and electronic transitions have been explained on the basis of DFT calculations.
Syntheses, Structures and Properties of a Series of ZnII Complexes Constructed from a Tetrakis(imidazole) Ligand and Various Anions
Authors: Bai Hong‐Ye , Ma Jian‐Fang , Yang Jin , Liu Bo , Zhang Lai‐Ping , Ma Ji‐Cheng , Liu Ying‐Ying 
Published: November 2010

AbstractSix new coordination polymers, namely, [Zn(L)](NO3)2·3H2O (1), [Zn2(L)0.5(HPO3)2]·H2O (2), [Zn2(L)(L1)2]·3H2O (3), [Zn2(L)(L2)2]·4.75H2O (4), [Zn2(L)(L3)2]·3H2O (5), and [Zn2(L)(L4)]·3H2O (6), where L = tetrakis(imidazol‐1‐ylmethyl)methane, H2L1 = oxalic acid, H2L2 = 1,3‐benzenedicarboxylic acid, H2L3 = 5‐OH‐1,3‐benzenedicarboxylic acid, and H4L4 = 4,4′‐oxydiphthalic acid, were successfully synthesized under hydrothermal conditions. In compound 1, the L ligands connect the ZnII ions to yield a 3D 4‐connected 4·65 net with the free NO3– filling the channels. In compound 2, HPO32– anions and L ligands link the ZnII centers to generate a pentanodal (3,4)‐connected (4·6·8)(62·8)(62·84)(4·6·83·10)(84·102)2 net. In compound 3, the Zn2L12 units are linked by the L ligands to form a 2D 63 network. In compound 4, the L and L2 ligands connect the ZnII ions to form a 3D framework with (4·62·83)(62·72·82)(4·6·73·8) topology. In compound 5, L ligands coordinate with the ZnII centers to give a 2D binodal 4‐connected layer with the Schläfli symbol of (55·8)2(54·62), which are further consolidated by L3 ligands. In compound 6, the ZnII centers are connected by the L and L4 ligands to form a 2D 4‐connected 43·63 network. The structural differences in 1–6 suggest the importance of the anions in the construction of the coordination polymers. The compounds underwent thermogravimetric analysis, and the luminescent properties of the compounds were also investigated.
Tandem Ugi MCR/Mitsunobu Cyclization as a Short, Protecting‐Group‐Free Route to Benzoxazinones with Four Diversity Points
Authors: Banfi Luca , Basso Andrea , Giardini Lorenzo , Riva Renata , Rocca Valeria , Guanti Giuseppe 
Published: November 2010

AbstractA tandem Ugi/Mitsunobu protocol, starting from o‐aminophenols, α‐hydroxy acids, amines and aldehydes gives benzo[b][1,4]oxazin‐3‐ones of general formula 1 in two high‐yielding steps, with the introduction of up to four diversity inputs. The mildness of the methodology allows the stereospecific synthesis of enantiomerically pure products as well as the introduction of additional functional groups. The overall procedure can also be carried out in a one‐pot manner.
Enantioselective Allylation of Aldehydes Catalyzed by Diastereoisomeric Bis(tetrahydroisoquinoline) N,N′‐Dioxides
Authors: Vlašaná Klára , Hrdina Radim , Valterová Irena , Kotora Martin 
Published: November 2010

AbstractEnantioselective allylation of aromatic and α,β‐unsaturated aldehydes with allyltrichlorosilane catalyzed by two diastereoisomeric (R,Rax,R)‐ and (R,Sax,R)‐bis‐1,1′‐[5,6,7,8‐tetrahydro‐3‐(tetrahydrofuran‐2‐yl)isoquinoline] N,N′‐dioxideswas studied. The course of the reaction was profoundly influenced by the chosen solvent. The (R,Sax,R) catalyst efficiently promoted the reaction in THF with enantioselectivity up to 96 %. On the other hand, the allylation of aromatic aldehydes in the presence of the (R,Rax,R) catalyst proceeded only in MeCN (up to 67 % ee), and the level of asymmetric induction was strongly influenced by the presence of electron‐donating and ‐accepting groups in the aldehyde. The allylation of α,β‐unsaturated aldehydes proceeded only in dichloromethane (enantioselectivity up to 68 %).
Preparation of Novel Chiral Non‐Racemic Diselenides and Applications in Asymmetric Synthesis
Authors: Zhao Liwei , Li Zhong , Wirth Thomas 
Published: November 2010

AbstractNew chiral non‐racemic diselenides were prepared and their corresponding selenium electrophiles were used for thestereoselective functionalization of alkenes. The influence of different nucleophiles on the outcome of the selenenylation reaction was studied.
Effluent-dominated streams. Part 1: Presence and effects of excess nitrogen and phosphorus in Wascana Creek, Saskatchewan, Canada
Authors: Waiser Marley J , Tumber Vijay , Holm Jennifer 
Published: November 2010

Abstract
Regina, Saskatchewan, Canada (population 190,400) treats its sewage at a modern sewage treatment plant (STP) on Wascana Creek. In the winter, treated sewage effluent makes up almost 100% of stream flow. Four surveys conducted from 2005 to 2007, in differing seasons, indicated significantly higher nitrogen (N) and phosphorus (P) concentrations at sites downstream of the STP compared to an upstream control site. Downstream, Wascana Creek is N hypersaturated (total dissolved N &gt;3 mg/L) and soluble reactive phosphorus (SRP) makes up a greater percentage of total P (TP). Diminished nutrient retention capacities for both N and P are directly attributable to STP effluent. Creek SRP concentrations are less than estimates of equilibrium P concentrations (EPCo), indicating that creek sediments may be a source of P, further exacerbating hypereutrophic ambient SRP concentrations. As well, NO2 + NO3-N concentrations far surpass World Health Organization limits for drinking water (10 mg/L) and sensitive taxa, while NH3-N, NH4-N, and NO2 + NO3-N exceed Canadian Water Quality Guidelines for Protection of Aquatic Life and those for the U.S. Environmental Protection Agency. High NH4-N concentrations may be responsible for depressions not only in algal biomass and production observed downstream but reductions in primary to bacterial production ratios (PP:BP). In spring and fall, these reductions push PP:BP from net autotrophy to heterotrophy. The Wascana Creek study highlights the considerable problems associated with excess nutrients in effluent-dominated ecosystems (EDS). It also underlines the need for better controls on NH4-N additions from STPs in such EDS, especially in a day and age when freshwater supplies are dwindling and negative effects of climate change are expected. Environ. Toxicol. Chem. 2011;30:496–507. © 2010 SETAC
Genomic approaches with natural fish populations from polluted environments
Authors: Bozinovic Goran , Oleksiak Marjorie F 
Published: November 2010

Abstract
Transcriptomics and population genomics are two complementary genomic approaches that can be used to gain insight into pollutant effects in natural populations. Transcriptomics identify altered gene expression pathways, and population genomics approaches more directly target the causative genomic polymorphisms. Neither approach is restricted to a predetermined set of genes or loci. Instead, both approaches allow a broad overview of genomic processes. Transcriptomics and population genomic approaches have been used to explore genomic responses in populations of fish from polluted environments and have identified sets of candidate genes and loci that appear biologically important in response to pollution. Often differences in gene expression or loci between polluted and reference populations are not conserved among polluted populations, suggesting a biological complexity that we do not yet fully understand. As genomic approaches become less expensive with the advent of new sequencing and genotyping technologies, they will be more widely used in complementary studies. However, although these genomic approaches are immensely powerful for identifying candidate genes and loci, the challenge of determining biological mechanisms that link genotypes and phenotypes remains. Environ. Toxicol. Chem. 2011;30:283–289. © 2010 SETAC