bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gas‐phase fragmentation of γ‐lactone derivatives by electrospray ionization tandem mass spectrometry
Authors: Crotti Antonio E. M. , Bronze‐Uhle Erika S. , Nascimento Paulo G. B. D. , Donate Paulo M. , Galembeck Sérgio E. , Vessecchi Ricardo , Lopes Norberto P. 
Published: October 2009

AbstractFragmentation reactions of β‐hydroxymethyl‐, β‐acetoxymethyl‐ and β‐benzyloxymethyl‐butenolides and the corresponding γ‐butyrolactones were investigated by electrospray ionization tandem mass spectrometry (ESI‐MS/MS) using collision‐induced dissociation (CID). This study revealed that loss of H2O [M + H −18]+ is the main fragmentation process for β‐hydroxymethylbutenolide (1) and β‐hydroxymethyl‐γ‐butyrolactone (2). Loss of ketene ([M + H −42]+) is the major fragmentation process for protonated β‐acetoxymethyl‐γ‐butyrolactone (4), but not for β‐acetoxymethylbutenolide (3). The benzyl cation (m/z 91) is the major ion in the ESI‐MS/MS spectra of β‐benzyloxymethylbutenolide (5) and β‐benzyloxymethyl‐γ‐butyrolactone (6). The different side chain at the β‐position and the double bond presence afforded some product ions that can be important for the structural identification of each compound. The energetic aspects involved in the protonation and gas‐phase fragmentation processes were interpreted on the basis of thermochemical data obtained by computational quantum chemistry. Copyright © 2009 John Wiley & Sons, Ltd.
Quantitative mineral analysis using Raman spectroscopy and chemometric techniques
Authors: Dörfer Thomas , Schumacher Wilm , Tarcea Nicolae , Schmitt Michael , Popp Jürgen 
Published: October 2009

AbstractThis paper presents four different ways to generate quantitative and qualitative mineral information out of a Raman mapping experiment. The results of the four methods are compared against each other, and the advantages and disadvantages are pointed out. The combination of the point‐counting method with chemometric approaches is presented for the first time. The method with its different possible techniques is explained in detail. It will be shown that this technique works best for minerals. Copyright © 2009 John Wiley & Sons, Ltd.
Detailed analysis of the charge transfer complex N,N‐dimethylaniline–SO2 by Raman spectroscopy and density functional theory calculations
Authors: Ando Rômulo A. , Matazo Deborah R. C. , Santos Paulo S. 
Published: October 2009

AbstractAlthough the amine sulfur dioxide chemistry was well characterized in the past both experimentally and theoretically, no systematic Raman spectroscopic study describes the interaction between N,N‐dimethylaniline (DMA) and sulfur dioxide (SO2). The formation of a deep red oil by the reaction of SO2 with DMA is an evidence of the charge transfer (CT) nature of the DMA–SO2 interaction. The DMA–SO2 normal Raman spectrum shows the appearance of two intense bands at 1110 and 1151 cm−1, which are enhanced when resonance is approached. These bands are assigned to νs(SO2) and ν(ϕN) vibrational modes, respectively, confirming the interaction between SO2 and the amine via the nitrogen atom. The dimethyl group steric effect favors the interaction of SO2 with the ring π electrons, which gives rise to a π–π* low‐energy CT electronic transition, as confirmed by time‐dependent density functional theory (TDDFT) calculations. In addition, the calculated Raman DMA–SO2 spectrum at the B3LYP/6‐311 + + g(3df,3pd) level shows good agreement with the experimental results (vibrational wavenumbers and relative intensities), allowing a complete assignment of the vibrational modes. A better understanding of the intermolecular interactions in this model system can be extremely useful in designing new materials to absorb, detect, or even quantify SO2. Copyright © 2009 John Wiley & Sons, Ltd.
Geršgorin‐type localizations of generalized eigenvalues
Authors: Kostić V. , Cvetković L. J. , Varga R. S. 
Published: October 2009

AbstractWe introduce several localization techniques for the generalized eigenvalues of a matrix pair, obtained via the famous Geršgorin theorem and its generalizations. Specifically, we address the techniques of computing and graphing of the obtained localization sets of a matrix pair. The work that follows involves much about nonnegative matrices, strictly diagonally dominant (SDD) matrices, H‐ and M‐matrices. We show the utility of our results theoretically, as well as with numerical examples and graphs. Copyright © 2009 John Wiley & Sons, Ltd.
Adjoint‐weighted variational formulation for the direct solution of inverse problems of general linear elasticity with full interior data
Authors: Barbone Paul E. , Rivas Carlos E. , Harari Isaac , Albocher Uri , Oberai Assad A. , Zhang Yixiao 
Published: October 2009

AbstractWe describe a novel variational formulation of inverse elasticity problems given interior data. The class of problems considered is rather general and includes, as special cases, plane deformations, compressibility and incompressiblity in isotropic materials, 3D deformations, and anisotropy. The strong form of this problem is governed by equations of pure advective transport. The variational formulation is based on a generalization of the adjoint‐weighted variational equation (AWE) formulation, originally developed for flow of a passive scalar. We describe how to apply AWE to various cases, and prove several properties. We prove that the Galerkin discretization of the AWE formulation leads to a stable, convergent numerical method, and prove optimal rates of convergence. The numerical examples demonstrate optimal convergence of the method with mesh refinement for multiple unknown material parameters, graceful performance in the presence of noise, and robust behavior of the method when the target solution is C∞, C0, or discontinuous. Copyright © 2009 John Wiley & Sons, Ltd.
Self‐medication with antibiotics: questionnaire survey among primary care center attendants
Authors: Ilhan Mustafa N. , Durukan Elif , Ilhan Sevil Özger , Aksakal F. Nur , Özkan Seçil , Bumin Mehmet Ali 
Published: October 2009

AbstractPurposeThe aim of this study was to determine the frequency and reasons for self‐medication with antibiotics within the last 12 months among primary healthcare center attendants aged 18 or over, in Ankara.MethodsA questionnaire was applied by face to face interview technique to 2696 subjects attending at five primary healthcare centers. Information on demographic characteristics, intention to self‐medication with antibiotics and self‐medication within last 12 months were collected.ResultsIt was found that 28% of the subjects were storing antibiotics at home. The percentage of self‐administering antibiotics was 19.1% in the last 12 months. The most common reasons for self‐administration of antibiotics were sore throat (59.6%), fever (46.2%), and cough (40.0%). Other reasons were dental infection, rheumatism, and fatigue. According to age groups, the most common self‐medicating group was those aged 40–49 with 23% while the least self‐usage was in the 60–69 age groups with 11.8%. Male sex, being single, educational level of secondary school or higher, being employed and not having social security increased self‐administration of antibiotics (p < 0.05).ConclusionsThe study indicated the need for legal regulations regarding the sale of antibiotics without prescription and, health education is required for the community to decrease the inappropriate use of antibiotics and self‐medication. Copyright © 2009 John Wiley & Sons, Ltd.
Tramadol dependence: a survey of spontaneously reported cases in Sweden
Authors: Tjäderborn Micaela , Jönsson Anna K , Ahlner Johan , Hägg Staffan 
Published: October 2009

AbstractBackgroundTramadol is a weak opioid analgesic, which is generally considered to be safe. However, conflicting data exist on the dependence potential of tramadol.ObjectiveThe aim of this study was to investigate occurrence of tramadol dependence and associated risk factors using spontaneously reported adverse drug reactions.MethodsThe Swedish database for spontaneously reported adverse drug reactions, Swedish Drug Information System (SweDIS), was searched for reports on tramadol dependence from 1 January 1995 until 31 December 2006. Selection was conducted based on the DSM‐IV definition of dependence. Available information was scrutinised and registered and then presented descriptively.ResultsA total of 104 reports of tramadol dependence were identified, of which 60 (58%) concerned women. The median age (range) was 45 (15–84) years. Information on a history of substance abuse was present in 31 patients (30%) and 41 patients (39%) had a documented past or current use of a drug of abuse. Prescribed doses of tramadol ranged between 50–800 mg/day, and ingested doses between 50–4000 mg/day. Time of onset ranged from some weeks up to 4 years. In 72 (69%) cases the reaction was classified as serious, mainly due to hospitalisations for detoxification or discontinuation of tramadol.ConclusionsThere is an occurrence of tramadol dependence in association with analgesic treatment within the recommended dose range. In susceptible patients a severe and serious dependence syndrome may develop. A history of abuse or use of a drug of abuse seems to be an important risk factor. Copyright © 2009 John Wiley & Sons, Ltd.
Steps to evaluating a statewide internship program: Model, trainee, and student outcomes
Authors: Morrison Julie Q. , Graden Janet L. , Barnett David W. 
Published: October 2009

AbstractInternships play a pivotal role in the future of school psychology, and internship training is influenced by disciplinary trends including (a) an increased focus on accountability and demonstrating the positive impact of trainees' practices on student outcomes and (b) growing emphasis on scientifically based and empirically based practice. These influences also include greater sophistication in decision making as well as different ways of outcome‐focused decision making. System‐wide approaches such as Positive Behavior Support (PBS) and response to intervention (RTI) require high training demands to develop intervention‐related decision and accountability skills. Programmatically, accountability systems to meet the training needs of intervention services require scaling up. This article describes a multiyear developmental project bringing diverse universities together to institutionalize a statewide system of accountability. We share data from 3 years (N of interns = 278) and suggest recommendations for outcome‐oriented evaluation for other universities, agencies, school psychological services delivery units, or states. © 2009 Wiley Periodicals, Inc.
Early predictors of school engagement: Exploring the role of peer relationships
Authors: Perdue Neil H. , Manzeske David P. , Estell David B. 
Published: October 2009

AbstractSchool engagement is an important theoretical and practical cornerstone to the promotion of school completion. The current study explores the influences of childhood peer relationships in the third grade predicting school engagement at Grade 5. Participants are among the National Institute of Child Health and Human Development Study of Early Child Care and Youth Development (Research Triangle Institute, 2002). Given the importance of evaluating school engagement as a complex developmental process, longitudinal and multi‐informant data were used to account for various child characteristics as well as relationships with parents that may affect school engagement. Results indicate that peer friendship quality, support from friends, and aggressive behavior toward peers all uniquely relate to school engagement. Implications for intervention are discussed. © 2009 Wiley Periodicals, Inc.
Microarray analysis reveals potential target genes of NF‐κB2/p52 in LNCaP prostate cancer cells
Authors: Nadiminty Nagalakshmi , Dutt Smitha , Tepper Clifford , Gao Allen C. 
Published: October 2009

AbstractPURPOSEOur previous studies showed that NF‐κB2/p52 is involved in the castration‐resistant growth of the androgen‐sensitive LNCaP prostate cancer cells. The role of NF‐κB2/p52 in lymphomagenesis has been studied extensively, but its target genes in other cancers remain unknown. In order to identify genes potentially regulated by p52 in prostate cancer cells, we performed a genome‐wide microarray analysis of genes differentially up‐ or down‐regulated by the overexpression of p52 by adenoviral‐mediated gene delivery in LNCaP cells.EXPERIMENTAL DESIGNTotal RNAs from vector control‐infected and Adeno‐p52‐infected LNCaP cells were used to prepare cDNAs, which were hybridized to the Whole Genome Human 44k Microarray chips (Agilent Technologies). Data analysis was performed using GeneSpring and Ingenuity Pathway Analysis software. Validation of microarray results was performed by real‐time quantitative RT‐PCR and Western blot analyses.RESULTSExpression of ∼130 genes was differentially upregulated by >5‐fold, whereas ∼60 genes were differentially downregulated by >2‐fold in p52‐expressing LNCaP cells. Pathway analysis revealed that the upregulated genes belong to functional categories like cell growth and proliferation, cellular movement, cell‐to‐cell signaling and interaction, cancer, cell cycle, etc., whereas the downregulated genes were represented by functional categories like cell movement, antigen presentation, and cell death. Six of the top upregulated genes including annexin A2, PLAU, RND3, Twist2, VEGFC, and CXCL1 were validated by real‐time PCR and Western blot analysis.CONCLUSIONSThis study provides a comprehensive analysis of genes potentially regulated by NF‐κB2/p52 in the LNCaP prostate cancer cell line and provides a rationale for the induction of castration‐resistant growth by p52 in LNCaP cells. Prostate 70: 276–287, 2010. © 2009 Wiley‐Liss, Inc.
Low‐density Taqman miRNA array reveals miRNAs differentially expressed in prostatic stem cells and luminal cells
Authors: Zhang Li , Zhao Wenping , Valdez Joseph M. , Creighton Chad J. , Xin Li 
Published: October 2009

AbstractBACKGROUNDmiRNAs are a class of naturally occurring small RNAs that generally repress gene expression. They have been shown to actively control diverse biological processes including stem cell differentiation and lineage commitment.METHODSFluorescence‐activated cell sorting was utilized to isolate murine prostate stem cells and differentiated luminal cells. The expression levels of Drosha and Dicer1, the two key RNAseIII enzymes for miRNA maturation, were evaluated by quantitative RT‐PCR. Low‐density Taqman miRNA array analyses were also performed to identify miRNAs that are differentially expressed in individual lineages.RESULTSDrosha and Dicer1 are expressed at comparable transcriptional levels in murine prostate stem cells and differentiated luminal cells. Twenty‐nine miRNAs were discovered to be differentially expressed in prostate stem cells and luminal cells. Many of these miRNAs are coded in clusters, suggesting a cell‐specific transcriptional regulation. Some of these differentially expressed miRNAs have been reported to regulate genes relevant to the molecular and phenotypic features of each lineage.CONCLUSIONSmiRNAs may play a potentially critical role in fine regulation of prostatic lineage identity. Prostate 70: 297–304, 2010. © 2009 Wiley‐Liss, Inc.
Microwave‐assisted solid‐phase peptide synthesis at 60 °C: alternative conditions with low enantiomerization
Authors: Loffredo Carina , Assunção Nilson A. , Gerhardt Juergen , Miranda M. Terêsa Machini 
Published: October 2009

AbstractSeveral conditions have been used in the coupling reaction of stepwise SPPS at elevated temperature (SPPS‐ET), but we have elected the following as our first choice: 2.5‐fold molar excess of 0.04–0.08 M Boc or Fmoc‐amino acid derivative, equimolar amount of DIC/HOBt (1:1) or TBTU/DIPEA (1:3), 25% DMSO/toluene, 60 °C, conventional heating. In this study, aimed to further examine enantiomerization under such condition and study the applicability of our protocols to microwave‐SPPS, peptides containing L‐Ser, L‐His, L‐Cys and/or L‐Met were manually synthesized traditionally, at 60 °C using conventional heating and at 60 °C using microwave heating. Detailed assessment of all crude peptides (in their intact and/or fully hydrolyzed forms) revealed that, except for the microwave‐assisted coupling of L‐Cys, all other reactions occurred with low levels of amino acid enantiomerization (<2%). Therefore, herein we (i) provide new evidences that our protocols for SPPS at 60 °C using conventional heating are suitable for routine use, (ii) demonstrate their appropriateness for microwave‐assisted SPPS by Boc and Fmoc chemistries, (iii) disclose advantages and limitations of the three synthetic approaches employed. Thus, this study complements our past research on SPPS‐ET and suggests alternative conditions for microwave‐assisted SPPS. Copyright © 2009 European Peptide Society and John Wiley & Sons, Ltd.
Evaluation of an extract of Brazilian arnica (Solidago chilensis Meyen, asteraceae) in treating lumbago
Authors: da Silva Ary G. , de Sousa Carlos P. G. , Koehler Jaeder , Fontana Joelder , Christo Alexandre G. , Guedes‐Bruni Rejan R. 
Published: October 2009

AbstractOne of the Brazilian arnicas, Solidago chilensis Meyen, is a species of the family Asteraceae. This plant is known by this common name because it shares very similar organoleptic properties with the genus Arnica L., also within the family Asteraceae, that comprises approximately 30 European species of perennial, herbaceous plants. The effectiveness of a fluid extract of S. chilensis used externally for treating lumbago was examined in placebo‐controlled double‐blind clinical pharmacological studies. Two daily skin applications of a gel containing a 5% extract in glycol were administered for 15 days to ten volunteers in a placebo group and to an equal number in a test group. Statistical analyses of the results demonstrated a significant reduction in the perception of pain and a significant increase in the flexibility of patients in the test group as compared with those receiving only the placebo. Copyright © 2009 John Wiley & Sons, Ltd.
Antibiofilm phenylethanoid glycosides from Penstemon centranthifolius
Authors: Ye Miao , Zhao Yun , Norman Vanessa L. , Starks Courtney M. , Rice Stephanie M. , Goering Matt G. , O'Neil‐Johnson Mark , Eldridge Gary R. , Hu Jin‐Feng 
Published: October 2009

AbstractBioassay‐guided fractionation of the antibacterial ethyl acetate‐ethanol (50 : 50) extract obtained from the aerial parts of Penstemon centranthifolius led to the isolation of six phenylethanoid glycosides (1–6) and eleven iridoid glycosides (7–17). Their structures were determined on the basis of spectroscopic analysis and comparison with the literature. Among them, two phenylethanoid glycosides, 4″′‐O–acetylverbascoside (1) and verbascoside (2), were found to show significant inhibition of the formation of bacterial biofilms by Escherichia coli UTI89. Compound 1 showed 77% biofilm inhibition at 2.5 µg/mL, and compound 2 showed 60% inhibition at 5 µg/mL. Copyright © 2009 John Wiley & Sons, Ltd.
Absence of mutagenic effects of a particular Symphytum officinale L. liquid extract in the bacterial reverse mutation assay
Authors: Benedek Birgit , Ziegler Andreas , Ottersbach Peter 
Published: October 2009

AbstractComfrey (Symphytum officinale L.) root is traditionally used for the topical treatment of contusions, strains and sprains. Besides allantoin and rosmarinic acid, which are discussed as pharmacologically active principles, the drug contains pyrrolizidine alkaloids (PAs) known for their hepatotoxic, carcinogenic and mutagenic properties. The topical herbal medicinal products Kytta‐Salbe® f and Kytta‐Plasma® f contain a PA‐free liquid extract from comfrey root as active substance. The aim of this study was to demonstrate the absence of genotoxic effects of this special extract in the bacterial reverse mutation assay (Ames test).Briefly, comfrey root liquid extract was investigated for its ability to induce gene mutations in Salmonella typhimurium strains TA 98, TA 100, TA 102, TA 1535 and TA 1537 with and without metabolic activation using the mammalian microsomal fraction S9 mix. Reference mutagens were used to check the validity of the experiments.Comfrey root fluid extract showed no biologically relevant increases in revertant colony numbers of any of the five tester strains, neither in the presence nor in the absence of metabolic activation. In conclusion, the comfrey root fluid extract contained in Kytta‐Salbe® f and Kytta‐Plasma® f was not mutagenic in the bacterial reverse mutation assay. Copyright © 2009 John Wiley & Sons, Ltd.
Inhibition of quorum‐sensing signals by essential oils
Authors: Szabó Mira Ágnes , Varga Gábor Zoltán , Hohmann Judit , Schelz Zsuzsanna , Szegedi Ernő , Amaral Leonard , Molnár József 
Published: October 2009

AbstractThe role of quorum sensing (QS) is well known in microbial pathogenicity and antibiotic resistance. QS is responsible for motility, swarming, and biofilm production based on the signal molecules, e.g., acylated homoserine lactones (AHLs) produced by micro‐organisms above certain population density. The inhibition of QS may reduce pathogenicity, antibiotic resistance and biofilm formation in systemic and local infections. The homoserine lactones and other transmitters contribute to antibiotic resistance and pathogenicity of several bacteria; consequently the inhibition of QS signals reduces the problem of resistance and virulence. Due to the increasing number of persistent non‐treatable infections, there is an urgent need to develop new strategies to combat infections that destabilize bacterial communities in the host.The effect of essential oils on bacterial growth and QS were evaluated using the sensor strain Chromobacterium violaceum CV026 and N‐acyl homoserine lactone (AHL) producing Escherichia coli ATTC 31298 and the grapevine colonizing Ezf 10‐17 strains. Of the tested oils, rose, geranium, lavender and rosemary oils were the most potent QS inhibitors. Eucalyptus and citrus oils moderately reduced pigment production by CV026, whereas the chamomile, orange and juniper oils were ineffective. Copyright © 2009 John Wiley & Sons, Ltd.
Copper‐catalyzed phosphinidene transfer to ethylene, acetylene, and carbon monoxide: A computational study
Authors: Amme Matthew J. , Kazi Abul B. , Cundari Thomas R. 
Published: October 2009

AbstractA DFT study of phosphinidene transfer by copper model catalysts is reported. PR‐transfer pathways are highly exergonic with respect to catalyst and phosphinidene transfer reagent. Calculated free energy barriers by which (dhpe)Cu(PMe) active species yields functionalized products are reasonable for modeled substrates—ethylene, acetylene, and carbon monoxide. Calculations suggest a (dhpe)CuI(‐PMe·−) formulation as more appropriate than (dhpe)CuII(=PMe2−). The preferred pathway for production of phosphirane (phosphirene) is via direct [1 + 2] addition of ethylene (acetylene) to the PMe group of (dhpe)Cu(PMe), which contrasts the [2 + 2] mechanism for the reaction of ethylene with Ni0‐phosphinidenes. In light of simulations for neutral and cationic models, it is concluded that the extra electron in copper destabilizes [2 + 2] pathways. Calculated energetics for (dhpe)Cu(PMe) versus (en)Cu(PMe), dhpe = 1,2‐bis(dihydrophosphino)ethane, en = ethylenediamine, indicate that the former is a more potent for PR‐transfer. Thus, it is inferred that modifications that result in a more electron deficient metal center will yield better group transfer catalysts. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010