bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantification of antiretroviral drugs in dried blood spot samples by means of liquid chromatography/tandem mass spectrometry
Authors: Koal Therese , Burhenne Heike , Römling Regina , Svoboda Michal , Resch Klaus , Kaever Volkhard 
Published: September 2005

AbstractFor the first time approved antiretroviral drugs, i.e. protease inhibitors (PI) and non‐nucleoside reverse transcriptase inhibitors (NNRTI), were quantified in dried blood spots (DBS) from HIV/AIDS patient whole blood samples as the basis for therapeutic drug monitoring (TDM) by a robust simultaneous liquid chromatography/tandem mass spectrometry (LC/MS/MS) method. This study included seven PI (amprenavir, nelfinavir, indinavir, lopinavir, saquinavir, ritonavir, atazanavir) and two NNRTI (nevirapine, efavirenz). LC/MS/MS coupling was realized using a Phenomenex® Synergy Max RP LC column (150 × 2 mm, 4 µ) in combination with a tandem mass spectrometer (API 2000, Applied Biosystems/MDS Sciex Concord) operating in positive and negative multiple reaction monitoring (MRM) mode with reserpine as internal standard. DBS samples were punched out and extracted with 50:50 MeOH/0.2 M ZnSO4 (v/v) as extraction reagent. The method performance data for the drugs in DBS like limits of detection (LOD, 8–70 ng/mL), lower limits of quantification (LLOQ, 41–102 ng/mL), linearity (R2, 0.9981–0.9999), linear concentration ranges (41–10.000 ng/mL), accuracies (92–113%), recoveries (62–94%), and ion suppression were investigated and are comparable to data obtained from human plasma, which is the current standard matrix for TDM of PI and NNRTI. In this case, off‐line plasma sample preparation was performed by means of simple protein precipitation with 80:20 methanol/0.2 M ZnSO4 (v/v) as precipitation reagent. Significant correlations between real patient plasma and DBS were obtained for samples containing lopinavir, atazanavir, ritonavir, saquinavir, and efavirenz. DBS preparation as sampling alternative is well suited and practicable for TDM minimizing the high infection risk of HIV/AIDS samples and may facilitate sample mailing. Copyright © 2005 John Wiley & Sons, Ltd.
Simple modification of a protein database for mass spectral identification of N‐linked glycopeptides
Authors: Atwood James A. , Sahoo Satya S. , Alvarez‐Manilla Gerardo , Weatherly Daniel B. , Kolli Kumar , Orlando Ron , York William S. 
Published: September 2005

AbstractWe describe an algorithm which modifies a protein database such that during a database search deamidation is limited to asparagines strictly contained within the N‐glycosylation consensus sequence. The modified database was evaluated using a dataset created from the shotgun proteomic analysis of N‐linked glycopeptides from human blood serum. We demonstrate that the application of the modified database eliminates incorrect glycopeptide assignments, reduces the peptide false‐discovery rate, and eliminates the need for manual validation of glycopeptide identifications. Copyright © 2005 John Wiley & Sons, Ltd.
Gas chromatography/mass spectrometric analysis of methyl esters of N,N‐dialkylaminoethane‐2‐sulfonic acids for verification of the Chemical Weapons Convention
Authors: Pardasani Deepak , Gupta Arvinda K. , Palit Meehir , Shakya Purushottam , Kanaujia Pankaj K. , Sekhar K. , Dubey Devendra K. 
Published: September 2005

AbstractThis paper describes the synthesis and gas chromatography/electron ionization mass spectrometric (GC/EI‐MS) analysis of methyl esters of N,N‐dialkylaminoethane‐2‐sulfonic acids (DAESAs). These sulfonic acids are important environmental signatures of nerve agent VX and its toxic analogues, hence GC/EI‐MS analysis of their methyl esters is of paramount importance for verification of the Chemical Weapons Convention. DAESAs were prepared by condensation of 2‐bromoethane sulfonic acid with dialkylamines, and by condensation of dialkylaminoethyl chloride with sodium bisulfite. GC/EI‐MS analysis of methyl esters of DAESAs yielded mass spectra; based on these spectra, generalized fragmentation routes are proposed that rationalize most of the characteristic ions. Copyright © 2005 John Wiley & Sons, Ltd.
Determination of rapamycin: quantification of the sodiated species by an ion trap mass spectrometer as an alternative to the ammoniated complex analysis by triple quadrupole
Authors: Pieri Maria , Miraglia Nadia , Castiglia Loredana , Genovese Giuliana , Basilicata Pascale , Simonelli Angela , Acampora Antonio 
Published: September 2005

AbstractRapamycin is a potent immunosuppressive drug capable of significantly reducing acute graft rejection in kidney, liver and heart transplant patients. Its immunosuppressive activity and adverse effects have been related to rapamycin concentration, and therapeutic drug monitoring of the drug is deemed appropriate. This work was aimed at developing a new quantification method based on the isolation of the [M+Na]+ ion as precursor and its further fragmentation through an ion trap mass spectrometer equipped with an electrospray ionization source. A limit of detection (LOD) of 0.7 ng/mL was obtained, while the lower limit of quantification (LLOQ) was 2.4 ng/mL. The accuracy and reproducibility of the responses were evaluated and compared with results obtained when the [M+NH4]+ ion was chosen as the precursor in a triple quadrupole mass spectrometer. In this case the LOD was 0.5 ng/mL and the LLOQ 1.7 ng/mL. Data showed that it would be possible to use the quantification of the sodiated species for the routine determination of rapamycin, as an alternative to the commonly adopted method based on the ammoniated complex. Copyright © 2005 John Wiley & Sons, Ltd.
Chiral supercritical fluid chromatography/tandem mass spectrometry for the simultaneous determination of pindolol and propranolol in metabolic stability samples
Authors: Hsieh Yunsheng , Favreau Leonard , Cheng K.‐C. , Chen Jiwen 
Published: September 2005

AbstractA chiral packed‐column supercritical fluid chromatographic (pSFC) system coupled to tandem mass spectrometer (MS/MS) for the rapid measurements of (R,S)‐propranolol and (±)‐pindolol in metabolic stability samples was developed. The effects of the eluent flow rates and compositions, as well as of the nebulizer temperature, on the chromatographic performance and the ionization efficiency of the analytes in positive ion mode under pSFC conditions were studied. The ionization mechanism of the analytes in the CO2/methanol atmospheric pressure chemical ionization (APCI) environments with or without the use of an additive was studied. The chiral pSFC‐APCI‐MS/MS approach requiring approximately 2 min per sample was applied for the simultaneous determination of two pairs of racemic drugs in in vitro samples at low nanogram per milliliter concentrations. Copyright © 2005 John Wiley & Sons, Ltd.
Simultaneous determination of nicotinic acid and its metabolites using hydrophilic interaction chromatography with tandem mass spectrometry
Authors: Hsieh Yunsheng , Chen Jiwen 
Published: September 2005

AbstractA hydrophilic interaction chromatographic (HILIC) system interfaced with atmospheric pressure ionization (API) sources and a tandem mass spectrometer (MS/MS) was developed for the simultaneous determination of nicotinic acid (NiAc) and its metabolites in dog plasma in support of a pharmacokinetic study. A silica column was adapted for separation of NiAc and its two metabolites, nicotinamide (NiNH2) and nicotinuric acid (NiUAc), under HILIC conditions. The influence of experimental factors such as the composition of mobile phase on ionization efficiency and chromatographic performance of all analytes was investigated. The feasibility of the proposed HILIC/MS/MS methods was explored by comparing the plasma levels of NiAc, NiNH2, and NiUAc in dog obtained by using either electrospray ionization or atmospheric pressure chemical ionization interfaces in positive ion mode. The methods were partially validated in terms of inter‐day accuracy and precision, extraction recovery, benchtop and freeze/thaw stability. Further, the potential of ionization suppression resulting from endogenous components of the biological matrixes on the HILIC/API‐MS/MS methods were investigated using the post‐column infusion technique. Copyright © 2005 John Wiley & Sons, Ltd.
The random binary growth model
Authors: Georgiou Nicholas 
Published: October 2005

AbstractWe describe a family of models of random partial orders, called classical sequential growth models, and study a specific case, which is the simplest interesting model, called a random binary growth model. This model produces a random poset, called a random binary order, B2, on the vertex set ℕ by considering each vertex n ≥ 2 in turn and placing it above 2 vertices chosen uniformly at random from the set {0,…,n − 1} (with additional relations added to ensure transitivity). We show that B2 has infinite dimension, almost surely. Using the differential equation method of Wormald, we can closely approximate the size of the up‐set of an arbitrary vertex. We give an upper bound on the largest vertex incomparable with vertex n, which is polynomial in n, and, using this bound, we provide an example of a poset P, such that there is a positive probability that B2 does not contain P. © 2005 Wiley Periodicals, Inc. Random Struct. Alg., 2005
Radical reformism: towards critical ecological modernization
Authors: Orsato Renato J. , Clegg Stewart R. 
Published: September 2005

AbstractAccording to a specialized research area within environmental sociology – ecological modernization theory – the shift towards seeking to protect the environment constitutes a broadly emergent sociological phenomenon: the radicalization of modernity. The understanding of the fundamentals of such phenomenon is, therefore, crucial for both the practice and theorization of organization and environment. This is the main reason why this paper seeks to incorporate ideas from the disciplines of both environmental sociology and organization theory. By delving into the main sources of dynamism that ‘produced’ modernity the paper argues that a sustainable organizational practice depends on the incorporation of a special type of radicalism into ecological modernization. The paper anchors its main arguments in research conducted in the European automobile industry – a socio‐technical context undergoing ecological modernization. The main conclusions of the paper relate to the nature of the reforms required for organizational practices to facilitate sustainable industrial development. Copyright © 2005 John Wiley & Sons, Ltd and ERP Environment.
Signaling molecularly imprinted polymers: molecular recognition‐based sensing materials
Authors: Takeuchi Toshifumi , Mukawa Takashi , Shinmori Hideyuki 
Published: October 2005

AbstractMolecular imprinting is a template polymerization technique that can easily provide synthetic polymers capable of molecular recognition for given target molecules. In addition to their highly specific recognition ability, we are attempting to introduce signaling functions to molecularly imprinted polymers, enabling them to respond according to specific binding events. Some of our work regarding such signaling molecularly imprinted polymers is presented here, including molecularly imprinted polymers that induce spectral shifts of target compounds because of binding. Such compounds include hydrogen‐bonding‐based fluorescent imprinted polymers and metalloporphyrin‐based signaling molecularly imprinted polymers. © 2005 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 5: 263–275; 2005: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20052
Electronically‐coupled MM quadruply‐bonded complexes of molybdenum and tungsten†
Authors: Chisholm Malcolm H. , Patmore Nathan J. 
Published: October 2005

AbstractThe reaction of M2(O2CBut)4 (M = Mo, W) with a dicarboxylic acid in toluene yields compounds of general formula [M2]‐O2C‐X‐CO2‐[M2] ([M2] = M2(O2CBut)3; X = conjugated spacer). The M2 units are electronically coupled via interactions between the M2 δ and dicarboxylate π* orbitals, and the magnitude of this coupling is revealed by electronic structure calculations and spectroscopic data. These compounds show intense metal to ligand charge transfer (MLCT) absorptions in the visible region of the electronic spectrum that are temperature and solvent dependent. Evidence of electronic coupling is seen in their cyclic voltammograms, which show two successive one‐electron oxidations. The extent of electronic coupling in the mixed valence radical cations [M2]‐O2C‐X‐CO2‐[M2]+, generated by oxidation with one equivalent of AgPF6 or FeCp2PF6, is evaluated by EPR and UV–vis–NIR spectroscopic data, and delocalized behavior is observed in compounds with W2 units separated by up to 13.6 Å. The simplicity of the frontier M2 orbital interactions with the bridge π orbitals provides a convenient system with which to study electron transfer in mixed valence systems, as compared to the extensively studied, but more complicated, dinuclear t2g6/t2g5 mixed valence compounds. Oligomeric and polymeric compounds incorporating M2 units have also been synthesized, having general formula [M2(O2CR)2(O2C‐Thio‐CO2)]n (Thio = n‐hexyl substituted ter‐ and quinque‐thiophenes). They can be deposited as thin films by spin coating, and show photoluminescence and electroluminescence. These metallo‐polythiophenes show potential for application in electronic materials. © 2005 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 5: 308–320; 2005: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20053
Detection efficiency of energy‐dispersive detectors with low‐energy windows
Authors: Scholze F. , Procop M. 
Published: September 2005

AbstractEnergy dispersive X‐ray spectrometry offers the opportunity for fast composition determination of specimens by X‐ray fluorescence or electron probe microanalysis. For fundamental parameter based quantification, the knowledge of the detection efficiency of the spectrometer is essential. At low energies the efficiency is strongly influenced by X‐ray absorption in the radiation entrance window. State‐of‐the‐art windows consist of polymer foil containing C, N, and O, coated with Al and in some cases with a special B compound. The foil is supported by a Si grid to withstand the atmosphere pressure. The absorption of all these components must be known to describe the detection efficiency.The transmittance of three types of widely used commercial windows has been measured. Transmittance curves have been fitted by analytical expressions using tabulated mass absorption coefficients. Because tabulated mass absorption coefficients do not consider near edge effects, there are strong deviations between measured and calculated transmittance below 0.6 keV. It is proposed to model the spectrometer efficiency by the measured window transmittance and calculated absorptions from front contact and possible contaminations. This reduces the number of unknown parameters drastically. Copyright © 2005 John Wiley & Sons, Ltd.
X‐ray and electron microprobe investigation of the speleothems from Godarville tunnel
Authors: Kuczumow Andrzej , Genty Dominique , Chevallier Pierre , Nowak Jakub , Florek Marek , Buczyńska Anna 
Published: September 2005

AbstractA calcite deposit (stalagmite) from the Godarville tunnel (Belgium) was investigated by the use of x‐ray and electron microprobes in order to detect any seasonal variations present in the chemical data and to make a comparison with meteorological data. The uniqueness of this speleothem system is that it is human constructed, controlled from the chronological point of view and with complete temperature and hydrological documentation. The Godarville tunnel stalagmites started to form since the time of closing down of the tunnel in 1960 and continued until the collection of the samples in December 1992. The growth of the annual laminae was observed on the cross‐sections of several stalagmites and attributed to consecutive years and even seasons. The laminar structure, ascribed to seasonal variations, is very clear and formed by a set of alternating bright, porous and dark, compact calcite layers. This structure gave rise to the optical profiles of the annual variability that were compared with the x‐ray synchrotron‐based microprobe chemical profile data obtained at LURE (Orsay University, France). Using this method, several profiles were measured: Ca as the main element, Sr as a very important minor component and Fe, Zn, Pb and Br as trace elements. The results display an impressive correlation between the spatial distributions of Sr and Br with the optical linear profile of the sample, demonstrating that these elements also have a seasonal variation in the stalagmite layers. The Fe, Zn and Pb concentration profiles were characterized by sudden and random increases in contents (up to 20 times over background levels) whose origin is still uncertain. The results were supplemented by similar linear scan measurements made by the electron microprobe. The results show that Sr concentrates in the bright layers whereas the Mg spatial distribution is less correlated with the optical linear scan. A strontium‐rich layer is formed during the autumn/winter periods. It is consistent with the ways of inclusion of that element in calcite, with the temperature‐dependent and hydrological aspects. Copyright © 2005 John Wiley & Sons, Ltd.
Estimation of mackerel (Scomber scombrus L., 1758) and horse mackerel (Trachurus trachurus L., 1758) daily egg production outside the standard ICES survey area
Authors: Dransfeld Leonie , Dwane Oonagh , Molloy John , Gallagher Sarah , Reid Dave G. 
Published: October 2005

Abstract
An experimental egg survey was carried out to assess whether there was significant spawning of mackerel and horse mackerel outside the area surveyed triennially by the international mackerel and horse mackerel standard egg survey. In all, 170 stations were sampled in May 2002 on the Porcupine, Rockall, and Hatton Banks, over the Rockall Trough, and in Faroese waters, with 38 control stations inside and 132 stations outside the standard survey area. There was some spawning of mackerel south and east of the Rockall Bank and southeast of the Faroe Bank, extending to west of the Scottish Shelf. Limited horse mackerel egg production was found west of the Rockall Bank and south of the Faroe Bank. The total mackerel and horse mackerel daily egg production estimated from samples collected in 2002 outside the standard survey area was low compared with the egg production estimated in adjacent waters just inside the standard area in the same year and during the international standard surveys in May and June of 2001. The results suggest that including the spawning activity of both species outside the standard survey area would not significantly contribute to the total estimated egg production.
The diagnostic interview for psychoses (DIP): development, reliability and applications
Authors: CASTLE D. J. , JABLENSKY A. , McGRATH J. J. , CARR V. , MORGAN V. , WATERREUS A. , VALURI G. , STAIN H. , McGUFFIN P. , FARMER A. 
Published: September 2005

Background. We describe the development, reliability and applications of the Diagnostic Interview for Psychoses (DIP), a comprehensive interview schedule for psychotic disorders.Method. The DIP is intended for use by interviewers with a clinical background and was designed to occupy the middle ground between fully structured, lay-administered schedules, and semi-structured, psychiatrist-administered interviews. It encompasses four main domains: (a) demographic data; (b) social functioning and disability; (c) a diagnostic module comprising symptoms, signs and past history ratings; and (d) patterns of service utilization and patient-perceived need for services. It generates diagnoses according to several sets of criteria using the OPCRIT computerized diagnostic algorithm and can be administered either on-screen or in a hard-copy format.Results. The DIP proved easy to use and was well accepted in the field. For the diagnostic module, inter-rater reliability was assessed on 20 cases rated by 24 clinicians: good reliability was demonstrated for both ICD-10 and DSM-III-R diagnoses. Seven cases were interviewed 2–11 weeks apart to determine test–retest reliability, with pairwise agreement of 0·8–1·0 for most items. Diagnostic validity was assessed in 10 cases, interviewed with the DIP and using the SCAN as ‘gold standard’: in nine cases clinical diagnoses were in agreement.Conclusions. The DIP is suitable for use in large-scale epidemiological studies of psychotic disorders, as well as in smaller studies where time is at a premium. While the diagnostic module stands on its own, the full DIP schedule, covering demography, social functioning and service utilization makes it a versatile multi-purpose tool.
Molecular characterization of closely related species in the parasitic genus Encarsia (Hymenoptera: Aphelinidae) based on the mitochondrial cytochrome oxidase subunit I gene
Authors: Monti M.M. , Nappo A.G. , Giorgini M. 
Published: September 2005

AbstractThe genus Encarsia Förster includes parasitoid species that are effective natural enemies of whitefly and armoured scale insect agricultural pests. Within this genus, several species groups have been recognized on the basis of morphological similarity, although their monophyly appears uncertain. It is often difficult to separate morphologically similar species, and there is evidence that some species could in fact be complexes of cryptic species. Their correct identification is fundamental for biological control purposes. Recently, due to unreliability of morphological characters, molecular techniques have been investigated to identify markers that differentiate closely related species. In this study, DNA variation in an ~900 bp segment of the mitochondrial cytochrome oxidase subunit I (COI) gene was examined by both sequencing and PCR–RFLP. Two pairs of species that are difficult to distinguish morphologically were analysed: Encarsia formosa Gahan and Encarsia luteola Howard, belonging to the luteola group, and two populations of Encarsia sophia (Girault & Dodd) from Pakistan and Spain, belonging to the strenua group, recently characterized as cryptic species. High sequence divergence and species-specific restriction patterns clearly differentiate both species pairs. Parsimony analysis of the nucleotide sequences was also performed, including Encarsia hispida De Santis (luteola group) and Encarsia protransvena Viggiani (strenua group). Two monophyletic clades supporting the two groups of species considered were resolved. The results of this study support the use of the COI gene as a useful marker in separating species of Encarsia, for which morphological differences are subtle. Moreover, the COI gene appears potentially useful for understanding phylogenetic relationships in this genus.
Application of DL-β-aminobutyric acid (BABA) as a root drench to legumes inhibits the growth and reproduction of the pea aphid Acyrthosiphon pisum (Hemiptera: Aphididae)
Authors: Hodge S. , Thompson G.A. , Powell G. 
Published: September 2005

AbstractDL-β-aminobutyric acid (BABA) is a non-protein amino acid that is an effective inducer of resistance against a variety of plant pathogens. However, examples of BABA-induced resistance against insect herbivores have not been reported. We applied BABA as a soil drench to legumes and monitored its effects on the pea aphid Acyrthosiphon pisum (Harris). On tic bean (Vicia faba var. minor), BABA increased aphid mortality, caused a reduction in the mean relative growth rate of individual insects and lessened the intrinsic rate of population increase (rm). BABA also caused significant reductions in the growth rate of A. pisum on pea (Pisum sativa), broad bean (Vicia faba var. major), runner bean (Phaseolus coccineus), red clover (Trifolium pratense) and alfalfa (Medicago sativa). No direct toxic effects of BABA against A. pisum were found, and no phytotoxic effects that may have caused a reduction in aphid performance were detected. Possible mechanisms behind this BABA-induced inhibition of aphid performance are discussed.