bluuebunny/crossref_metadata_2025_split huggingface dataset:
Transplacentally exposed human and monkey newborn infants show similar evidence of nucleoside reverse transcriptase inhibitor‐induced mitochondrial toxicity
Authors: Divi Rao L. , Leonard Sarah L. , Kuo Maryanne M. , Nagashima Kunio , Thamire Chandrasekhar , St. Claire Marisa C. , Wade Nancy A. , Walker Vernon E. , Poirier Miriam C. 
Published: March 2006

AbstractEffective reduction in maternal‐fetal human immunodeficiency virus‐1 (HIV‐1) transmission has been achieved by administration of nucleoside reverse transcriptase inhibitors (NRTIs) during pregnancy, and although most exposed children are clinically normal at birth, mitochondrial dysfunction has been reported. To examine mitochondrial integrity on a molecular level, we evaluated mitochondrial morphology by electron microscopy (EM) and mitochondrial DNA (mtDNA) quantity in umbilical cords and cord blood from NRTI‐exposed and unexposed human and monkey newborns. Human subjects included infants born to HIV‐1‐infected mothers who received Combivir (Zidovudine [AZT] plus Lamivudine [3TC]) (n = 9) or AZT plus Didanosine [ddI] (n = 2) during pregnancy, and infants born to HIV‐1‐uninfected mothers (n = 7). NRTI‐exposed Erythrocebus patas monkey dams (n = 3 per treatment group) were given human‐equivalent dosing regimens containing 3TC, AZT/3TC, AZT/ddI, or Stavudine (d4T)/3TC during gestation. Four infants born to unexposed patas dams served as controls. Mitochondria in umbilical cord endothelial cells from NRTI‐exposed monkey and human infants showed substantial abnormal pathology by EM, the extent of which was quantified from coded photomicrographs and shown to be different (P < 0.05) from the unexposed monkey and human newborns. Significant (P < 0.05) mtDNA depletion was found in umbilical cords from both human and monkey NRTI‐exposed infants and in human, but not in monkey, cord blood leukocytes. For umbilical cords, an increase in mitochondrial morphological damage correlated with reduction in mtDNA quantity in fetal monkeys (r = 0.94). The treatment‐induced mitochondrial compromise in infant monkeys ranked as follows: d4T/3TC > AZT/ddI > AZT/3TC > 3TC. The study demonstrates that transplacental NRTI exposures induce similar mitochondrial damage in cord blood and umbilical cords taken from retroviral‐uninfected monkey infants and from human infants born to HIV‐1‐infected women. Environ. Mol. Mutagen., 2006. © 2006 Wiley‐Liss, Inc.
Transitions between the public mental health system and jail for persons with severe mental illness: a Markov analysis
Authors: Norton Edward C. , Yoon Jangho , Domino Marisa Elena , Morrissey Joseph P. 
Published: March 2006

AbstractProposed changes to the mental health care system are usually debated in terms of either health benefits or costs savings. However, because of the extensive intersection between the mental health system and the criminal justice system, changes in the organization and financing of mental health services may change the jail detention rate. We analyze jail incarcerations for felonies and non‐felonies following the start of a public managed mental health care program in King County, Washington (including Seattle). We analyze unique data that tracks individuals in and out of the public mental health, Medicaid, and criminal justice systems for 1993–1998. In this manuscript we examine individuals with severe mental illness who were enrolled in the Washington state Medicaid program. The final sample size has monthly observations on 6766 unique individuals aged 18–64. We estimate Markov models of the monthly transition probabilities among living in the community with no public mental health treatment, receiving inpatient or outpatient mental health or substance abuse services, or being in jail for either a felony or non‐felony charge. The transition probabilities are adjusted for demographics and policy changes that occurred during our study period. There is little evidence of any change in the jail detention rate for severely mentally ill users of the county mental health system in contrast with other SMI individuals following the public managed care program. Copyright © 2006 John Wiley & Sons, Ltd.
The hydrogen perturbation in molecular connectivity computations
Authors: Pogliani Lionello 
Published: March 2006

AbstractA new algorithm for the δv number, the basic parameter of molecular connectivity indices, is proposed. The new algorithm, which is centered on graph concepts like complete graphs and general graphs, encodes the information of the bonded hydrogen on different atoms through a perturbation parameter that makes use of no new graph concepts. The model quality of the new algorithm is tested with 13 properties of seven different classes of compounds, as well as with composite classes of compounds with the same property and with composite properties of the same class of compounds. Chosen properties and classes of compounds display different percentage of bonded hydrogen atoms, which allow a checking of the importance of this parameter. A comparison is drawn with previous results with zero contribution for the hydrogen perturbation as well as among results obtained by changing the number of compounds of a property but keeping constant the percentage of hydrogen atoms. Results underline the importance of the property as well as the importance of the number of compounds in determining the level of the hydrogen perturbation. Molecular connectivity terms are in some cases more critical than the combination of indices in detecting the perturbation introduced by the hydrogen atoms. © 2006 Wiley Periodicals, Inc. J Comput Chem 27: 868–882, 2006
Theoretical studies on the role of π‐electron delocalization in determining the conformation of N‐benzylideneaniline with three types of LMO basis sets
Authors: Bao Peng , Yu Zhong‐Heng 
Published: March 2006

AbstractTo understand the role of π‐electron delocalization in determining the conformation of the NBA (Ph–NCH–Ph) molecule, the following three LMO (localized molecular orbital) basis sets are constructed: a LFMO (highly localized fragment molecular orbital), an NBO (natural bond orbital), and a special NBO (NBO‐II) basis sets, and their localization degrees are evaluated with our suggesting index DL. Afterward, the vertical resonance energy ΔEV is obtained from the Morokuma's energy partition over each of three LMO basis sets. ΔEV = ΔEH (one electron energy) + ΔEtwo (two electron energy), and ΔEtwo = ΔECou (Coulomb) + ΔEex (exchange) + ΔEec (or ΣΔEn) (electron correction). ΔEH is always stabilizing, and ΔECou is destabilizing for all time. In the case of the LFMO basis set, ΔECou is so great that ΔEtwo > |ΔEH|. Therefore, ΔEV is always destabilizing, and is least destabilizing at about the θ = 90° geometry. Of the three calculation methods such as HF, DFT, and MPn (n = 2, 3, and 4), the MPn method provides ΔEV with the greatest value. In the case of the NBO basis set, on the contrary, ΔEV is stabilizing due to ΔECou being less destabilizing, and it is most stabilizing at a planar geometry. The LFMO basis set has the highest localization degree, and it is most appropriate for the energy partition. In the NBA molecule, π‐electron delocalization is destabilization, and it has a tendency to distort the NBA molecular away from its planar geometry as far as possible. © 2006 Wiley Periodicals, Inc. J Comput Chem 27: 809–824, 2006
New model potentials for sulfur–copper(I) and sulfur–mercury(II) interactions in proteins: From ab initio to molecular dynamics
Authors: Fuchs Jean‐Francois , Nedev Hristo , Poger David , Ferrand Michel , Brenner Valérie , Dognon Jean‐Pierre , Crouzy Serge 
Published: March 2006

AbstractWe have developed new force field and parameters for copper(I) and mercury(II) to be used in molecular dynamics simulations of metalloproteins. Parameters have been derived from fitting of ab initio interaction potentials calculated at the MP2 level of theory, and results compared to experimental data when available. Nonbonded parameters for the metals have been calculated from ab initio interaction potentials with TIP3P water. Due to high charge transfer between Cu(I) or Hg(II) and their ligands, the model is restricted to a linear coordination of the metal bonded to two sulfur atoms. The experimentally observed asymmetric distribution of metal ligand bond lengths (r) is accounted for by the addition of an anharmonic (r3) term in the potential. Finally, the new parameters and potential, introduced into the CHARMM force field, are tested in short molecular dynamics simulations of two metal thiolates fragments in water. (Brooks BR et al. J Comput Chem 1983, 4, 1987.1) © 2006 Wiley Periodicals, Inc. J Comput Chem 27: 837–856, 2006
S. O. Lilienfeld and N. G. Waller, “A great pioneer of clinical science remembered: Introduction to the special issue in honor of Paul E. Meehl”. Journal of Clinical Psychology 61(10) 2005, 1201–1207
Authors: Lilienfeld Scott O. , Waller Niels G. 
Published: March 2006

AbstractOriginally published in J Clin Psychol 61: 1201–1207, 2005

Through an oversight on the part of Special Issue Co‐Editor Scott O. Lilienfeld, Dr. Joel Weinberger was not listed as a co‐author of the article “In Praise of Clinical Judgment: Meehl's Forgotten Legacy,” in the Introduction (p. 1205) to the Journal of Clinical Psychology Special Issue in Honor of Paul E. Meehl (Vol. 61, Issue 10, October, 2005). The Introduction should have noted that this article was co‐authored by Drs. Drew Westen and Joel Weinberger.Dr. Lilienfeld sincerely apologizes for the error.
The impact of client sexual orientation and gender on clinical judgments and diagnosis of borderline personality disorder
Authors: Eubanks‐Carter Catherine , Goldfried Marvin R. 
Published: March 2006

AbstractConcerns have been raised that individuals who are having difficulty coming out as gay or bisexual may be misdiagnosed with borderline personality disorder. In this analogue study, 141 psychologists evaluated a hypothetical client with problems that resembled borderline symptoms but were also consistent with a sexual identity crisis. Client descriptions varied by sexual orientation and gender. Results revealed an effect of sexual orientation for male clients, but not female clients. Male clients whom therapists perceived likely to be gay or bisexual, and male clients with partners of unspecified gender, were more likely to be diagnosed with borderline personality disorder. Therapists were more confident and willing to work with female clients and gave them a better prognosis. Therapists' responses are discussed in light of gender role bias and social desirability. © 2006 Wiley Periodicals, Inc. J Clin Psychol 62: 751–770, 2006.
Synthesis of a 11C‐labelled taxane derivative by [1‐11C]acetylation
Authors: Mäding P. , Zessin J. , Pleiß U. , Füchtner F. , Wüst F. 
Published: March 2006

AbstractThe 11C‐labelling of the taxane derivative BAY 59‐8862 (1), a potent anticancer drug, was carried out as a module‐assisted automated multi‐step synthesis procedure. The radiotracer [11C]1 was synthesized by reacting [1‐11C]acetyl chloride (6) with the lithium salt of the secondary hydroxy group of precursor 3 followed by deprotection. After HPLC purification of the final product [11C]1, its solid‐phase extraction, formulation and sterile filtration, the decay‐corrected radiochemical yield of [11C]1 was in the range between 12 and 23% (related to [11C]CO2; n=10). The total synthesis time was about 54 min after EOB. The radiochemical purity of [11C]1 was greater than 96% and the chemical purity exceeded 80%. The specific radioactivity was 16.8±4.7 GBq/µmol (n=10) at EOS starting from 80 GBq of [11C]CO2. Copyright © 2006 John Wiley & Sons, Ltd.
A potential lung perfusion imaging agent of synthetic origin
Authors: Tsopelas Chris , Dylan F. , Bartholomeusz L. 
Published: March 2006

Abstract99mTc‐labelled macroaggregated albumin (MAA) is the radiopharmaceutical routinely used for perfusion lung scans. However MAA formulations contain excipients of biological origin, that may potentially cause allergic hypersensitivity in patients. The aim of this study was to prepare a non‐biological lung imaging agent, with physiological uptake based on a mechanism of colloid localisation in the pulmonary vasculature. To a frozen stannous fluoride cold kit (RAH Radiopharmacy) was added 99mTc‐pertechnetate (⩽2 GBq) in saline (1–4 ml), and the radioactive contents were mixed by rotation (40 rpm) in a syringe at room temperature for 30–180 min. The preparative conditions were varied to control particle growth by: the addition of metal ions, halide ions, or oxidants; different mixing times; and temperatures. The 99mTc products were analysed for % radiolabelling efficiency (RE), radioactive particle size distribution (RPSD), qualitative and quantitative rat biodistribution studies. Results indicated that all radioactive particles were formed with >99% RE, and 1–47% were >8 µm. The optimum radiotracer formulation containing the highest proportion of the largest particles, was prepared by mixing SnF2 and 99mTc‐pertechnetate with a low [Na+] at room temperature for 50 min. Results from the quantitative organ assays gave 88±1% tracer in the lungs, and less than 10% in the liver and spleen. The images showed excellent, uniform lung uptake with minimal interference from liver and spleen to the lower regions of right and left lobes. In conclusion, the synthetic radiopharmaceutical 99mTc–tin fluoride colloid can be prepared with a large particle size, from a commercially available cold kit in a simple and practical manner, and it has good potential for use as a perfusion imaging agent in lung scans. Copyright © 2006 John Wiley & Sons, Ltd.
Chiral analysis by mass spectrometry using the kinetic method in flow systems
Authors: Lemr Karel , Ranc Václav , Fryčák Petr , Bednář Petr , Ševčík Juraj 
Published: March 2006

AbstractChiral analysis is an important task of analytical chemistry. Besides separation techniques, mass spectrometry can be applied in this field. One mass spectrometric approach is based on Cooks' kinetic method. The method was successfully applied in a static system in which the concentration of the analyte as well as the chiral selector solution was constant during the experiment. The application of the kinetic method in dynamic systems (changing concentration of analyte) is presented. Such systems allow the speeding up of the analytical process (flow injection analysis (FIA)) or the use of the kinetic method for chiral detection after liquid chromatographic separation.The influence of the concentration of the components of the chiral selector solution as well as its flow rate on the recognition of enantiomers was evaluated. A new procedure for correction for the differences between ratio of enantiomers in the liquid phase and their observed ratio in the gas phase is also described. A significant improvement in accuracy using this procedure was achieved. Applicability of the method was demonstrated in the analysis of amino acids using FIA as well as HPLC/MS. After an achiral separation of leucine and isoleucine, chiral mass spectrometric detection was successfully used for enantiomeric recognition. Copyright © 2006 John Wiley & Sons, Ltd.
Laser ablation and secondary ion mass spectrometry of inorganic transition‐metal compounds. Part I: comparison between static ToF‐SIMS and LA‐FTICRMS
Authors: Aubriet Frédéric , Poleunis Claude , Muller Jean‐François , Bertrand Patrick 
Published: March 2006

AbstractMost of the first‐row transition‐metal oxides, MAOB (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) were examined by static secondary ion mass spectrometry (s‐SIMS) and laser ablation/ionization Fourier transform ion cyclotron resonance mass spectrometry (LA‐FTICRMS). Positive and negative ions show strong correlation between the studied oxide and the detected cluster ions. Specific MxOy+/− species were systematically observed with both MS techniques for each investigated MAOB transition‐metal oxide. Moreover, the ion composition and ion distribution are greatly dependent on the ionization technique. Laser ablation (LA)/ionization leads to larger cluster ions (ionic species with nearly hundred atoms were in particular detected for Sc2O3 and Y2O3 oxides), whereas hydrogenated, dihydrogenated, and sometimes trihydrogenated species were observed in s‐SIMS. However, the ion distribution for a given MxOy+/− ion series (i.e. ions including the same number of metal atoms M) generally presented important similarities in both techniques.Finally, it was demonstrated that the chemical state of metal atoms in the observed ionic species is closely dependent on the metal electronic valence shell. High valence states (+III, +IV, +V, and +VI) are favored for metals with a less‐than‐half full valence shell configuration, whereas for other first‐row transition metals (manganese, iron, cobalt, nickel, copper and zinc) lower metal valence states (0, +I or, +II) are involved. Copyright © 2006 John Wiley & Sons, Ltd.
Development and validation of a liquid chromatographic/electrospray ionization mass spectrometric method for the determination of benazepril, benazeprilat and hydrochlorothiazide in human plasma
Authors: Vonaparti Ariadni , Kazanis Michael , Panderi Irene 
Published: March 2006

AbstractA new method was developed and fully validated for the quantitation of benazepril, benazeprilat and hydrochlorothiazide in human plasma. Sample pretreatment was achieved by solid‐phase extraction (SPE) using Oasis HLB cartridges. The extracts were analysed by high‐performance liquid chromatography (HPLC) coupled to a single‐quadrupole mass spectrometer (MS) with an electrospray ionization interface. The MS system was operated in selected ion monitoring (SIM) modes. HPLC was performed isocratically on a reversed‐phase porous graphitized carbon (PGC) analytical column (2.1 × 125.0 mm i.d., particle size 5 µm). The mobile phase consisted of 55% acetonitrile in water containing 0.3% v/v formic acid and pumped at a flow rate of 0.15 ml min−1. Chlorthalidone was used as the internal standard (IS) for quantitation. The assay was linear over a concentration range of 5.0–500 ng ml−1 for all the compounds analysed, with a limit of quantitation of 5 ng ml−1 for all the compounds. Quality control (QC) samples (5, 10, 100 and 500 ng ml−1) in five replicates from three different runs of analyses demonstrated intra‐assay precision (coefficient of variation (CV) ≤14.6%), inter‐assay precision (CV ≤ 5.6%) and overall accuracy (relative error less than −8.0%). The method can be used to quantify benazepril, benazeprilat and hydrochlorothiazide in human plasma, covering a variety of pharmacokinetic or bioequivalence studies. Copyright © 2006 John Wiley & Sons, Ltd.
Influence of perfusion on hepatic MR diffusion measurement
Authors: Hollingsworth K. G. , Lomas D. J. 
Published: March 2006

AbstractPercutaneous liver biopsy is the current gold standard for the diagnosis and assessment of hepatic fibrosis: it is an uncomfortable procedure with associated risks of infection and internal bleeding. Diffusion‐weighted MRI may be important as a non‐invasive measure of the grade of hepatic fibrosis, owing to the morphological and physiological changes in hepatic tissues as fibrosis develops. The factors that influence hepatic diffusion measurements are complex and are thought to include hepatic perfusion. This study assesses whether hepatic diffusion measurements are influenced by hepatic perfusion changes as this could be an important variable when investigating the relationship between diffusion measurements and grade of hepatic fibrosis. Hepatic apparent diffusion coefficients (ADCs) were measured in 10 healthy volunteers after an 8‐h fast and 1‐h after a standard meal (which increases portal vein flow and hepatic sinusoidal perfusion) using a breath‐hold technique at b‐values of 750, 500 and 200 s/mm2. ADC measurements using b = 750 and 500 s/mm2 in the posterior right lobe were unaffected by the perfusion changes (P  =  0.15 and 0.14, respectively) whereas the results from the anterior right lobe significantly increased post‐prandially (P = 0.03 and 0.008, respectively): inter‐subject variability was low (∼5%) for these b‐values. Portal perfusion had a significant effect in both the posterior and anterior segments of the right lobe when using a b‐value of 200 s/mm2 (P = 0.01 and 0.00001 respectively): inter‐subject variability was found to be high (∼25%). The most reproducible measurements of the ADC can be made in the posterior right lobe and the effect of perfusion is minimised at the higher b‐values (b = 500 and 750 s/mm2). Copyright © 2006 John Wiley & Sons, Ltd.
Synthesis and characterization of light‐emitting oligo(p‐phenylene‐vinylene)s and polymeric derivatives containing three‐ and five‐conjugated phenylene rings. II. Electro‐optical properties and optimization of PLED performance
Authors: Lin Hong‐Cheu , Tsai Chien‐Min , Tao Yu‐Tai 
Published: March 2006

AbstractA series of multilayer polymeric light‐emitting diodes (PLEDs) containing an electron‐transporting layer (ETL), that is tris(8‐quinolinolato)‐aluminum(III) (Alq) and 2,2′,2″‐(1,3,5‐phenylene)‐tris[1‐phenyl‐1H‐benzimidazole] (TPBI), were fabricated by doping fluorescent oligo(p‐phenylene‐vinylene)s (BIII and BV) and polymer derivatives (PBV) into poly(N‐vinyl carbazole) (PVK). These PLEDs can be optimized by the design of multilayer device configurations (brightness increased 8–15 times by addition of ETL) and possess greenish electroluminescent (EL) spectra peaked about 500–540 nm. A remarkably high brightness of 56,935 cd/m2 with a power efficiency of 3.25 lm/W was obtained in the device of PVK:BVOC8‐OC8 (100:20)/Alq (60 nm/60 nm). It suggests that the emission mechanism (including the conjugated and excimer emissions of BVOC8‐OC8 emitters) originates from both of BVOC8‐OC8 and ETL (Alq and TPBI) by varying the concentration of chromophores and adjusting the thickness of ETL. The concentration effect of the emitters in PVK (i.e. PVK:BVOC8‐OC8 = 100:5, 100:20, and 100:100 wt %) and the influence of the ETL (including its thickness) on the EL characteristics are also reported. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 2922–2936, 2006
Enhanced efficiency of polyfluorene derivatives: Organic–inorganic hybrid polymer light‐emitting diodes
Authors: Lee Jonghee , Cho Hoon‐Je , Cho Nam Sung , Hwang Do‐Hoon , Kang Jong‐Min , Lim Eunhee , Lee Jeong‐Ik , Shim Hong‐Ku 
Published: March 2006

AbstractTwo novel organic–inorganic hybrid polyfluorene derivatives, poly{(9,9′‐dioctyl‐2,7‐fluorene)‐co‐(9,9′‐di‐POSS‐2,7‐fluorene)‐co‐[2,5‐bis(octyloxy)‐1,4‐phenylene]} (PFDOPPOSS) and poly{(9,9′‐dioctyl‐2,7‐fluorene)‐co‐(9,9′‐di‐POSS‐2,7‐fluorene)‐co‐bithiophene} (PFT2POSS), were synthesized by the Pd‐catalyzed Suzuki reaction of polyhedral oligomeric silsesquioxane (POSS) appended fluorene, dioctyl phenylene, and bithiophene moieties. The synthesized polymers were characterized with 1H NMR spectroscopy and elemental analysis. Photoluminescence (PL) studies showed that the incorporation of the POSS pendant into the polyfluorene derivatives significantly enhanced the fluorescence quantum yields of the polymer films, likely via a reduction in the degree of interchain interaction as well as keto formation. Additionally, the blue‐light‐emitting polyfluorene derivative PFDOPPOSS showed high thermal color stability in PL. Moreover, single‐layer light‐emitting diode devices of an indium tin oxide/poly(3,4‐ethylene dioxythiophene):poly(styrene sulfonate)/polymer/Ca/Al configuration fabricated with PFDOPPOSS and PFT2POSS showed much improved brightness, maximum luminescence intensity, and quantum efficiency in comparison with devices fabricated with the corresponding pristine polymers PFDOP and PFT2. In particular, the maximum external quantum efficiency of PFT2POSS was 0.13%, which was twice that of PFT2 (0.06%), and the maximum current efficiency of PFT2POSS was 0.38 cd/A, which again was twice that of PFT2 (0.19 cd/A). © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 2943–2954, 2006