bluuebunny/crossref_metadata_2025 huggingface dataset:
Influence of relative configuration of disubstituted cyclopentanes and ‐hexanes on 13C shifts
Authors: Winkler Margit , Klempier Norbert , Weber Hansjörg , Grünwald Katrin R. , Flock Michaela , Dransfeld Alk
Published: July 2008

13C shifts of disubstituted cyclopentane and cyclohexane derivatives were compared in dependence on the relative configuration of the two substituents. A diequatorial substitution correlates with deshielding compared to other substitution patterns. Some novel fluorinated cyclopentanes and ‐hexanes including their DFT calculation‐assisted structure elucidation are described. Copyright © 2008 John Wiley & Sons, Ltd.
Structural and spectral assignments of six anthraquinone derivatives from the mangrove fungus (ZSUH‐36)
Authors: Shao Changlun , Wang Changyun , Wei Meiyan , Li Shangde , She Zhigang , Gu Yucheng , Lin Yongcheng
Published: July 2008

A new natural product named 6,8,1′‐tri‐O‐methyl averantin(1) has been isolated together with five known anthraquinones 1′‐O‐methyl averantin(2), 6,8‐di‐O‐methyl averufin (3) averufin (4), versicolorin C (5) and 6,8‐di‐O‐methyl averufanin (6) from a mangrove endophytic fungus ZSUH‐36 collected from the South China Sea. NMR techniques including COSY, HMQC, and HMBC were used to elucidate the structures of these compounds. We report the unambiguous assignments of the 1H and 13C NMR spectra of the new compound 6,8,1′‐tri‐O‐methyl averantin(1). Copyright © 2008 John Wiley & Sons, Ltd.
Complete basis set B3LYP NMR calculations of CDCl3 solvent's water fine spectral details
Authors: Kupka Teobald
Published: July 2008

The assignment of singlet at 1.55 ppm and the 1:1:1 triplet at 1.519 ppm to H2O and HOD in the 400 MHz 1H NMR spectrum of CDCl3 solvent were supported by complete basis set (CBS) GIAO‐B3LYP calculated chemical shift and the CBS B3LYP estimated 2J(D,H) spin–spin coupling constant (SSCC). The CBS fitting of B3LYP/cc‐pCVxZ and B3LYP/pcJ‐n predicted SSCC values, the accurate value of 2J(D,H) = − 1.082 ± 0.030 Hz of HOD in chloroform‐d1 and the H/D isotopic shift of 0.0307(1) ppm were reported for the first time. The agreement between CBS B3LYP predicted chemical shift, spin–spin values and experiment was good. Copyright © 2008 John Wiley & Sons, Ltd.
Simultaneous Controllability of PSD and MWD in Emulsion Polymerisation
Authors: Sweetman Stephen J. , Immanuel Charles D. , Malik Tahir I. , Emmett Simon , Williams Neal
Published: July 2008

A sensitivity study of particle size distribution (PSD) and molecular weight distribution (MWD) responses to perturbations in initiator, surfactant, monomer and chain transfer agent in a semi‐batch emulsion polymerisation is presented. The objective is to provide a systematic study on the ability to simultaneously control both PSD and MWD, towards inferential control of end‐use product properties. This would lead towards identification of the practical feasible regions of operability. All inputs appeared to have an intrinsic and simultaneous influence on end‐time PSD and MWD. Trends shown in experimental results have been explained in a mechanistic sense and also compared to simulation results from a combined PSD/MWD population balance model. The preliminary comparison between experiment and simulation highlights areas to be focussed on with respect to model improvement.

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Investigation of Catalytic Chain Transfer Copolymerization of Methacrylates
Authors: Nikitin Anatoly N. , Grady Michael C. , Kalfas Georgios A. , Hutchinson Robin A.
Published: July 2008

Batch experiments were carried out to investigate the kinetics of catalytic chain transfer copolymerization of methyl methacrylate and n‐butyl methacrylate. The Predici® model developed to represent the system describes the numerous experimental data measured at high concentrations of Co(II) catalyst, taking into account the chain‐length dependencies of termination, propagation and catalytic chain transfer. The constants for catalytic chain transfer are determined as 2.3 × 104 for both methyl methacrylate and n‐butyl methacrylate from fitting the experimental data. Two inhibition mechanisms are shown to describe the decrease of the polymerization rate in the presence of catalyst equally well, with an unknown impurity dissolved in initiator introduced to explain experimental profiles measured at high initiator concentrations.

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Short‐echo spectroscopic imaging combined with lactate editing in a single scan
Authors: Melkus Gerd , Mörchel Philipp , Behr Volker C. , Kotas Markus , Flentje Michael , Jakob Peter M.
Published: July 2008

A short‐echo spectroscopic imaging sequence extended with a frequency‐selective multiple‐quantum‐ coherence technique (Sel‐MQC) is presented. The method enables acquisition of a complete water‐suppressed proton spectrum with a short echo time and filtering of the J‐coupling metabolite, lactate, from co‐resonant lipids in one scan. The purpose of the study was to validate this combined pulse sequence in vitro and in vivo. Measurements on phantoms confirmed the feasibility of the method, and, for a practical in vivo application, experiments were carried out on eight tumors from two different tumor models [UT‐SCC‐8 (n = 4) and SAS (n = 4)]. T1‐ and T2‐weighted metabolite and lipid ratios were calculated, and the tumors showed different values in the central and outer regions. The ratio of the lipid methylene peak area (1.30 ppm) to choline peak area (3.20 ppm) was significantly (p < 0.01) different in the central tumor area between the two models, and lactate was detected in only three out of four tumors in the SAS tumor line. The present approach of combining short‐echo spectroscopic imaging and lactate editing allows the characterization of tumor‐specific metabolites such as choline, lipid methylene and methyl resonances as well as lactate in a single scan. Copyright © 2008 John Wiley & Sons, Ltd.
Direct methods and ADI‐preconditioned Krylov subspace methods for generalized Lyapunov equations
Authors: Damm T.
Published: July 2008

We consider linear matrix equations where the linear mapping is the sum of a standard Lyapunov operator and a positive operator. These equations play a role in the context of stochastic or bilinear control systems. To solve them efficiently one can fall back on known efficient methods developed for standard Lyapunov equations. In this paper, we describe a direct and an iterative method based on this idea. The direct method is applicable if the generalized Lyapunov operator is a low‐rank perturbation of a standard Lyapunov operator; it is related to the Sherman–Morrison–Woodbury formula. The iterative method requires a stability assumption; it uses convergent regular splittings, an alternate direction implicit iteration as preconditioner, and Krylov subspace methods. Copyright © 2008 John Wiley & Sons, Ltd.
Low rank solution of data‐sparse Sylvester equations
Authors: Baur U.
Published: July 2008

In this paper, a method for solving large‐scale Sylvester equations is presented. The method is based on the sign function iteration and is particularly effective for Sylvester equations with factorized right‐hand side. In this case, the solution will be computed in factored form as it is for instance required in model reduction. The hierarchical matrix format and the corresponding formatted arithmetic are integrated in the iteration scheme to make the method feasible for large‐scale computations. Copyright © 2008 John Wiley & Sons, Ltd.
Regularization and preconditioning of KKT systems arising in nonnegative least‐squares problems
Authors: Bellavia Stefania , Gondzio Jacek , Morini Benedetta
Published: July 2008

A regularized Newton‐like method for solving nonnegative least‐squares problems is proposed and analysed in this paper. A preconditioner for KKT systems arising in the method is introduced and spectral properties of the preconditioned matrix are analysed. A bound on the condition number of the preconditioned matrix is provided. The bound does not depend on the interior‐point scaling matrix. Preliminary computational results confirm the effectiveness of the preconditioner and fast convergence of the iterative method established by the analysis performed in this paper. Copyright © 2008 John Wiley & Sons, Ltd.
Measuring satisfaction with nursing care among hospitalized patients: Refinement of a Spanish version
Authors: Lange Jean W. , Yellen Elaine
Published: July 2008

This study was designed to improve the psychometrics of English and Spanish measures of hospitalized patients' satisfaction with nursing care. One hundred Spanish‐speaking participants in the northeastern and southwestern United States completed a new 20‐item Spanish version; 64 of the same participants also completed the English version. Correlations between item pairs (p < .001, r = .56–.96) and total scores of both versions (r = .92, p < .01), and similar factor structures support equivalence of the two versions. Evidence for construct validity is also presented. Results surpass standards for new instruments and support the utility of this much needed, bilingual measure of inpatient satisfaction with nursing care. © 2008 Wiley Periodicals, Inc. Res Nurs Health 32:31–37, 2009
Handwriting speed: duration of testing period and relation to socio‐economic disadvantage and handedness
Authors: O'Mahony Paul , Dempsey Mairead , Killeen Hazel
Published: July 2008

In the course of norm‐referencing the Handwriting Speed Test (HST) for 8‐ to 18‐year‐olds in the Irish education system, the authors examined the issue of the duration of the handwriting test period, the relation of handwriting speed to socio‐economic disadvantage and the comparative handwriting speed of left‐ and right‐handed students. The literature reports some concerns about the generalizability of results from a short‐duration handwriting speed test, some evidence that children from poorer backgrounds are less proficient at handwriting, and conflicting results on the relation of handedness to speed of handwriting. The results of this study suggest that the addition of a further 9‐minute test to the 3‐minute test of the HST would improve its ability to predict handwriting speed problems in everyday extended writing tasks, such as examinations, and would also identify some children who are wrongly classified as slow writers on the 3‐minute test. The results also indicate a markedly lower‐than‐average handwriting speed for children attending designated disadvantaged schools. The results suggest that neither left‐ nor right‐handed children have a consistent advantage in handwriting speed. Copyright © 2008 John Wiley & Sons, Ltd.
Maternal serum screening in cases of mosaic and translocation Down syndrome
Authors: Dreux Sophie , Olivier Camille , Dupont Jean‐Michel , Leporrier Nathalie ,   Study Group, Oury Jean‐François , Muller Françoise
Published: July 2008

Objectives

To determine if the second‐trimester maternal serum markers (MSM) screening for Down syndrome (DS) is efficient in DS mosaicism or structural rearrangement cases.

Method

DS mosaic or translocation cases were reviewed from databases of routine MSM DS screening. The control group consisted of 977 trisomy 21 cases included in a series of 854 902 patients (routine screening). DS risk was calculated by combination of maternal age and MSM [alpha‐fetoprotein (AFP) and human choriogonadotrophin (hCG) or free β‐hCG and/or uE3] expressed in multiples of median (MoM). Mosaic DS cases were divided into three groups, < 10%, 10–49%, and ≥ 50% trisomy 21 cells. Translocation DS cases were divided into three groups, isochromosome, Robertsonian, or reciprocal translocation. Detection rate (DR) and MoMs were evaluated in each group.

Results

As many as 76 cases of nonstandard trisomy 21 were collected. For mosaic DS cases (n = 43) DR was 69.8% (not significantly different from the 70.8% of control group). When mosaicism was less than 10%, the DR dropped to 25%. For translocation DS cases (n = 33) DR was 75.7% (not significantly different from control group) whatever the types of translocation.

Conclusion

In the nonstandard DS cases, second‐trimester MSMs gave the same detection rate as for standard trisomy 21, except the cases with low‐level mosaicism (<10%). Copyright © 2008 John Wiley & Sons, Ltd.
Camouflaged sampling and contacting of people from administrative databases: reaching target patients without knowing who they are
Authors: Maclure Malcolm , Warren Leanne , Willison Donald , Cassels Alan , Carleton Bruce
Published: July 2008

Background

Methods are needed for using confidential data to select and reach patients without compromising their health privacy.

Methods

(a) Sampling: we created (1) an anonymous list of encrypted personal health numbers (EPHNs) of target patients (e.g., users of the medications of interest) and (2) an anonymous list of EPHNs of people randomly sampled from the general population of non‐users. The two lists were merged and randomly ordered to make a camouflaged list. People on the second list were called camouflagers. Then EPHNs were matched to names and contact information, and the EPHNs were removed from the contact list. (b) Contacting: when we contacted patients by mail or telephone, we told them their names were selected from one of two lists, and their health status was unknown to us. We invited respondents to answer (1) a short survey for the general population or (2) a longer survey concerning the target condition.

Results

In five studies, the percentage of camouflagers—equal to one minus the positive predictive value of the camouflaged list—has varied from 10 to over 50%. This depended on the psychosocial sensitivity of the target medications or health conditions, the natural camouflaging by the population's heterogeneity or inaccuracy of the data on the target characteristic, the degree of stratification of the sample, and the cost of contacting.

Conclusion

Camouflaging enables administrative data to be used for contacting target patients in selected populations while adhering to current data privacy laws and ethics principles. Copyright © 2008 John Wiley & Sons, Ltd.
Syncope and sinus bradycardia from combined use of thalidomide and β‐blocker
Authors: Yamaguchi Takashi
Published: July 2008

We present a case of a 76‐year‐old Japanese man with hypertension and multiple myeloma (MM) presented with syncope and sinus bradycardia. Thalidomide therapy for MM was added to longstanding atenolol therapy one month prior to presentation. His heart rate (HR) was around 70 beats per minute (bpm) before addition of Thalidomide. His HR on presentation was less than 30 bpm. He was treated with intravenous atropine followed by temporary pacemaker and taken off atenolol. His HR returned to around 70 bpm few days after discontinuation of atenolol, even though he was still taking thalidomide, permitting outpatient management without a pacemaker. Both thalidomide and atenolol have been reported to cause bradycardia. Neither agent caused bradycardia when used alone in this patient, but simultaneous use caused symptomatic bradycardia. As thalidomide is prescribed more frequently, clinicians should be aware of the possibility of drug‐induced sinus bradycardia due to the interaction of thalidomide and β‐blockers. Copyright © 2008 John Wiley & Sons, Ltd.
The state of dietary supplement adverse event reporting in the United States
Authors: Gardiner Paula , Sarma Dandapantula N. , Dog Tieraona Low , Barrett Marilyn L. , Chavez Mary L. , Ko Richard , Mahady Gail B. , Marles Robin J. , Pellicore Linda S. , Giancaspro Gabriel I.
Published: July 2008

Purpose

The Dietary Supplements Information Expert Committee (DSI‐EC; the Committee) of the United States Pharmacopeial Convention (USP) reviews safety profiles of dietary supplements before development of USP–National Formulary (USP–NF) quality monographs. Because the veracity of dietary supplement adverse event reports (DS AERs) directly affects DSI‐EC safety reviews, the Committee reviewed the current status of DS AER reporting in the US.

Methods

DSI‐EC reviewed PubMed searches, information from the US Food and Drug Administration's (FDA) MedWatch program, the Toxic Exposure Surveillance System (TESS) of the American Association of Poison Control Centers (AAPCC), and reports from US and other agencies. DSI‐EC analyzed this information to identify key factors that affect the quality of DS AERs.

Results

The overall incidence of DS AERs appears generally to be low. However, the primary reporting portal (FDA MedWatch) receives fewer AERs than do poison control centers (PCCs), and limited coordination exists among national and international surveillance programs for evaluating signals that may indicate potential public health risks. Both inadequate and poor‐quality reporting of DS AERs are major limitations of DS safety monitoring in the US.

Conclusions

Based on its assessments, the Committee advances recommendations to improve the quality of reporting, monitoring, and assessing DS AERs. These include (1) enhanced data collection approaches, (2) improved coordination of AER surveillance programs, (3) strengthening of educational programs for public and health care sectors, and (4) conduct of research concerning the safety of DS. If taken, these approaches are expected to improve the health and well‐being of DS users. Copyright © 2008 John Wiley & Sons, Ltd.
Diagnostic codes for sudden cardiac death and ventricular arrhythmia functioned poorly to identify outpatient events in EPIC's General Practice Research Database
Authors: Hennessy Sean , Leonard Charles E. , Palumbo Cristin M. , Bilker Warren B. , Newcomb Craig , Kimmel Stephen E.
Published: July 2008

Purpose

To examine the validity of OXMIS/Read diagnoses of hospitalization for sudden cardiac death and ventricular arrhythmia (SD/VA) for use in studies of arrhythmogenic effects of outpatient medications in the General Practice Research Database (GPRD).

Methods

We identified putative occurrences of hospitalization for SD/VA in patients receiving outpatient prescriptions for cisapride, domperidone, or metoclopramide. We then administered a questionnaire to general practitioners (GPs) caring for these patients, requested hospital discharge consult letters, and examined the positive predictive value (PPV) of diagnostic codes in identifying outpatient events precipitating hospitalization.

Results

We identified 84 putative events, 38 (45%) of which occurred in patients cared for by GPs participating in the follow‐up scheme. Thirty of 38 questionnaires (79%) were completed. The PPV for the occurrence of any SD/VA was 93% (95% CI, 78–99%). However, the PPV for SD/VA occurrence in an outpatient setting precipitating a hospitalization was only 23% (95% CI, 10–42%). The majority of inpatient diagnostic codes reflected events occurring after hospital admission, not precipitating it.

Conclusions

While computerized codes for SD/VA agreed well with physician diagnosis, they operated poorly to identify events occurring in an outpatient setting. Studies of SD/VA in the GPRD should verify events on a case‐by‐case basis. Copyright © 2008 John Wiley & Sons, Ltd.
Quantitative proteomic analysis to discover potential diagnostic markers and therapeutic targets in human renal cell carcinoma
Authors: Okamura Noboru , Masuda Taro , Gotoh Akinobu , Shirakawa Toshiro , Terao Shuji , Kaneko Naoki , Suganuma Kazuki , Watanabe Makoto , Matsubara Toshiya , Seto Ryota , Matsumoto Jun , Kawakami Megumi , Yamamori Motohiro , Nakamura Tsutomu , Yagami Tatsurou , Sakaeda Toshiyuki , Fujisawa Masato , Nishimura Osamu , Okumura Katsuhiko
Published: July 2008

Renal cell carcinoma (RCC) is relatively resistant to chemotherapy and radiotherapy. Recent advances in drug development are providing novel agents for the treatment of RCC, but the effects are still minimal. In addition, there is an urgent need to identify diagnostic markers for RCC. In this report, to discover potential diagnostic markers and therapeutic targets, we subjected RCC samples to a quantitative proteomic analysis utilizing 2‐nitrobenzenesulfenyl (NBS) reagent. Proteins were extracted from RCC and adjacent normal tissue, obtained surgically from patients, and labeled with NBS reagent containing six 12C or 13C. This was followed by trypsin digestion and the enrichment of labeled peptides. Samples were then subjected to analysis by MALDI‐TOF MS. NBS‐labeled peptides with a 6 Da difference were identified by MS/MS. Thirty‐four proteins were upregulated in more than 60% of the patients of which some were previously known, and some were novel. The identity of a few proteins was confirmed by Western blotting and quantitative real time RT‐PCR. The results suggest that NBS‐based quantitative proteomic analysis is useful for discovering diagnostic markers and therapeutic targets for RCC.
Rerouting of pyruvate metabolism during acid adaptation in Lactobacillus bulgaricus
Authors: Fernandez Annabelle , Ogawa Jun , Penaud Stéphanie , Boudebbouze Samira , Ehrlich Dusko , van de Guchte Maarten , Maguin Emmanuelle
Published: July 2008

Lactic acid bacteria (LAB) gradually acidify their environment through the conversion of pyruvate to lactate, an essential process to regenerate NAD+ used during glycolysis. A clear demonstration of acidification can be found in yogurt, the product of milk fermentation by the LAB Lactobacillus delbrueckii ssp. bulgaricus (L. bulgaricus) and Streptococcus thermophilus, where the pH falls to 4.2. Acid adaptation therefore plays an important role in the physiology of LAB. Here we present the results of a proteomic approach to reveal cellular changes associated with acid adaptation in L. bulgaricus. These results were complemented with transcription data for selected genes to show three major effects: (i) induction of the chaperones GroES, GroEL, HrcA, GrpE, DnaK, DnaJ, ClpE, ClpP, and ClpL, and the repression of ClpC; (ii) induction of genes involved in the biosynthesis of fatty acids (fabH, accC, fabI); (iii) repression of genes involved in the mevalonate pathway of isoprenoid synthesis (mvaC, mvaS). Together with changes in the expression of other genes from the local metabolic network, these results for the first time show a coherent picture of changes in gene expression expected to result in a rerouting of pyruvate metabolism to favor fatty acid biosynthesis, and thereby affect membrane fluidity.
Comprehensive proteome analysis of Mycobacterium ulcerans and quantitative comparison of mycolactone biosynthesis
Authors: Tafelmeyer Petra , Laurent Christine , Lenormand Pascal , Rousselle Jean‐Claude , Marsollier Laurent , Reysset Gilles , Zhang Runxuan , Sickmann Albert , Stinear Timothy P. , Namane Abdelkader , Cole Stewart T.
Published: July 2008

Mycobacterium ulcerans is the causative agent of Buruli ulcer, a rapidly emerging human disease in which mycolactone, a cytotoxic and immunosuppressive macrocyclic polyketide, is responsible for massive skin destruction. The genome sequencing of M. ulcerans has recently been accomplished (http://genolist.pasteur.fr/BuruList/) enabling the first proteome study of this important human pathogen. Here, we present a comprehensive proteome analysis of different subcellular fractions and culture supernatant of in vitro grown M. ulcerans. By a combination of gel‐based and gel‐free techniques for protein and peptide separation with subsequent analysis by MS, we identified 1074 different proteins, corresponding to 25% of the protein‐coding DNA sequence. Interestingly, new information was obtained about central metabolism and lipid biosynthesis, and as many as 192 conserved hypothetical proteins were found. Comparative analysis of the wild‐type strain and an isogenic mycolactone‐deficient mutant, by 2‐DE and iTRAQ labeling of the cytoplasmic fraction, revealed differences in the expression profiles of proteins involved in lipid metabolism and information pathways, as well as stress responses.
A parallel affinity purification method for selective isolation of polyubiquitinated proteins
Authors: Ota Kazuhisa , Kito Keiji , Iemura Shun‐ichiro , Natsume Tohru , Ito Takashi
Published: July 2008

We developed a parallel affinity purification (PAP) procedure, in which ubiquitinated proteins are purified from the cells that coexpress two affinity‐tagged ubiquitins by sequential use of affinity chromatography specific to each tag. In contrast with previous procedures using a single affinity‐tagged ubiquitin, the PAP eliminates highly abundant ubiquitin monomers and monoubiquitinated proteins to selectively enrich proteins bearing both affinity‐tags, or poly‐ and multiubiquitinated proteins. Accordingly, it would serve as a powerful method to facilitate mass‐spectrometric identification of ubiquitinated proteins.
Competing reactions of hypercoordinate silicon dichelates
Authors: Kalikhman Inna , Gostevskii Boris , Kertsnus Evgenia , Deuerlein Stephan , Stalke Dietmar , Botoshansky Mark , Kost Daniel
Published: July 2008

Neutral hexacoordinate silicon complexes derived from hydrazide chelating ligands with imino‐donor groups, and their pentacoordinate ionic dissociation products, undergo facile intramolecular aldol‐type condensation catalyzed by their chloride counterion leading to formation of a third chelate ring. In analogous silacyclobutane dichelates, in the absence of halide counterion, a similar uncatalyzed rearrangement takes place, accompanied by opening of the four‐membered ring. In the absence of α‐protons necessary for the condensation, the four‐membered ring residue adds directly to one of the imino‐carbon atoms forming a new CC bond and closing a different chelate ring. This latter addition to the imino carbon is the preferred reaction pathway, even in the presence of 12 α‐protons, when cyanide ion replaces the chloride counterion and acts as nucleophile. The cyanide reactivity is rationalized in terms of the HSAB concept. An unusual intramolecular rearrangement involving the migration of a t‐butyl group from silicon to carbon, while enabling the unprecedented attachment of a third hydrazide chelating agent, leading to a hexacoordinate trichelate complex, is presented. Copyright © 2008 John Wiley & Sons, Ltd.
Thermodynamics of competing oxidation reactions of allyl methyl disulfide by hydrogen peroxide: a first principle molecular computational study on the conformations of allyl methyl disulfide and its oxidized products
Authors: Andrada Matías F. , Martínez Juan C. Garro , Szori Milan , Zamarbide Graciela N. , Vert Francisco Tomás , Viskolcz Bela , Estrada Mario R. , Csizmadia Imre G.
Published: July 2008

Allyl methyl disulfide, a peroxide scavenger, was studied together with three isomeric (two sulfoxides and one epoxide) forms of its mono‐oxidized products. After a full conformational study of the reactant and three isomeric oxidized forms, the geometries were optimized at B3LYP/6‐31G (d) level of theory. The epoxide form turned and to be more stable than either one of the two isomeric sulfoxides. Changes for Thermodynamic functions of oxidation reactions were calculated and from the δGreaction values the equilibrium constant for the interconversions of the oxidized products were estimated. Bader‐type AIM analyses were performed on the electron density, computed at the B3LYP/6‐311++G (d,p) level of theory. In several of the sulfoxide conformations CH···OS< secondary interactions were observed. Copyright © 2008 John Wiley & Sons, Ltd.
Push–pull hyperbranched molecules. A theoretical study
Authors: Ramos Estrella , Guadarrama Patricia , Terán Gerardo , Fomine Serguei
Published: July 2008

The electronic properties of the ground state, unrelaxed and relaxed first excited states of push–pull hyperbranched molecules bearing amino and nitro terminal groups have been studied at BB1K/cc‐pvdz//HF/6‐31g(d), TD‐BB1K/cc‐pvdz//HF/6‐31g(d) and TD‐BB1K/cc‐pvdz//CIS/6‐31g(d) levels of theory, respectively. It was demonstrated that dendritic architecture of push–pull molecules favours the charge transfer in the excited state compared to linear molecules. The possibility of adopting a plane conformation is an important condition for the charge transfer in an excited state. According to the calculations 1:1 ratio of donor and acceptor groups is another important precondition for the manifestation of strong charge separation in the excited state. In case of excess of nitro groups over the amino, some of the excitations participating in the S0 → S1 transition favour the charge transfer in the excited state in the opposite directions, thus decreasing the charge separation. Copyright © 2008 John Wiley & Sons, Ltd.
Selective Surface Modification of Poly(propylene) with OH and COOH Groups Using Liquid‐Plasma Systems
Authors: Joshi Ranjit , Schulze Rolf‐Dieter , Meyer‐Plath Asmus , Friedrich Jörg Florian
Published: July 2008

Underwater plasma and glow discharge electrolysis are interesting new methods for polymer surface functionalization. The achievable content of O‐containing functional groups exceeds that of oxygen glow discharge gas plasmas by a factor of two (up to ca. 56 O/100 C). The percentage of OH groups among all O‐containing groups can reach 25 to 40%, whereas it is about 10% in the gas plasmas. Addition of hydrogen peroxide increases the fraction of OH groups to at most 70% (27 OH/100 C). The liquid plasma systems are also able to polymerize acrylic acid and deposit the polymer as very thin film on substrate surfaces or membranes, thereby retaining about 80% of all COOH functional groups (27 COOH/100 C).

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Percent true calcium absorption, mineral metabolism, and bone mineralization in children with cystic fibrosis: Effect of supplementation with vitamin D and calcium
Authors: Hillman Laura S. , Cassidy James T. , Popescu Mihaela F. , Hewett John E. , Kyger Joseph , Robertson J. David
Published: July 2008

Objective

To assess whether percent true calcium absorption (α) is normal in children with cystic fibrosis (CF) and to assess whether supplementation with 2,000 IU vitamin D3, 1 g calcium, or both will alter α, mineral metabolism, and/or bone mass in children with CF.

Study Design

Fifteen children ages 7–13 were randomly assigned to one of four different orders to receive all four 6‐month treatments including placebos. Change in 25‐hydroxyvitamin D (25‐OHD), 1,25‐dihydroxyvitamin D (1,25(OH)2D), PTH, bone turnover markers, and minerals after 6 months, and bone mineral content (Hologic 1000W) after 9 months was measured. α was measured by a dual stable isotope method using 48Ca intravenously and 46Ca orally and measuring 48Ca, 46Ca, and 42Ca in a 24‐hr urine using High Resolution Inductively Coupled Mass Spectroscopy (HR‐ICP‐MS). Analysis used Wilcoxon Sign Ranks.

Results

α was in the normal range and did not differ by treatment (P 35 ± 10%, Ca 38 ± 23%, D 36 ± 11%, D + Ca 46 ± 21%). One gram calcium did not increase serum or urine calcium. Two thousand IU D3 did not increase 25‐OHD or change 1,25(OH)2D. Serum and urine minerals, markers of bone turnover and bone mineral gains did not differ by treatment.

Conclusions

α is normal in children with CF. One gram calcium and/or 2,000 IU D3 does not change α or increase 25‐OHD, serum calcium, or mineralization. Longer trials of a significantly higher dose of vitamin D3 shown to increase serum 25‐OHD are needed to assess effects on mineral metabolism and bone mass accrual. However, study of therapeutic options other than calcium and vitamin D should be encouraged. Pediatr Pulmonol. 2008; 43:772–780. © 2008 Wiley‐Liss, Inc.
Pediatric inflammatory myofibroblastic tumor of the trachea: A case report and review of the literature
Authors: Venizelos Ioannis , Papathomas Thomas , Anagnostou Eleftherios , Tsanakas John , Kirvassilis Fotis , Kontzoglou George
Published: July 2008

Inflammatory myofibroblastic tumors (IMTs) are relatively rare entities of a distinct histologic appearance and benign clinical course. Although these lesions have been described in virtually every anatomic location, there are few documented reports with tracheal localization. We add to the short list of pediatric IMTs of the trachea, a 13‐year‐old boy that was referred to our pediatric respiratory unit for evaluation of his respiratory distress. In particular, we describe the clinical and pathologic features of this patient and present a review of all reported lesions in the available literature. Pediatr Pulmonol. 2008; 43:831–835. © 2008 Wiley‐Liss, Inc.
Shifting sands: assessing the balance between public, private not‐for‐profit and private for‐profit physical therapy delivery in Ontario, Canada
Authors: Landry Michel D. , Williams A. Paul , Verrier Molly C. , Holyoke Paul , Zakus David , Deber Raisa B.
Published: July 2008

Background and Purpose. The vast majority of health services within Canada's single payer universal health care system are publicly funded. Despite the highly political and controversial emphasis placed on public funding, the structure of delivery within this health care system does not require public ownership. In this research, we developed a conceptual framework for analysing the public and private mix of physical therapy (PT) delivery in the province of Ontario. We then applied this framework to examine the shifts in employment structure of physical therapists (PTs) in Ontario. Methods. A two‐phased health policy case study methodology was used. In the first phase, we reviewed publicly available documents and conducted a series of 30 key informant interviews in order to develop our framework. In the second phase, we applied the framework and performed secondary analysis of the provincial PT registration database to assess change in practice setting between 1996 and 2002. Results. We identified nine models of delivery that fall into three categories of ownership structure: (a) public; (b) private not‐for‐profit; and (c) private for‐profit. During the six‐year period between 1996 and 2002, the relative proportion of PTs employed in the not‐for‐profit sector decreased (from 59.6% to 54.8%) whereas the share in the for‐profit sector grew (from 40.4% to 45.2%). Conclusions. The shifting balance in the structure of delivery may be transforming how PT services are provided in the province. Private for‐profit providers appear to be increasing their market share; however, the outcomes relative to this shift has yet to be fully explored. Further policy and health services research is warranted to more fully understand the consequences of this shift on variables such as professional autonomy, access, cost and quality of services across Canada, but also within similar and dissimilar international jurisdictions. Copyright © 2008 John Wiley & Sons, Ltd.
The availability and usage frequency of real time ultrasound by physiotherapists in South Australia: an observational study
Authors: Jedrzejczak A. , Chipchase L.S.
Published: July 2008

Background and Purpose. Real time ultrasound (RTUS) is an emerging imaging modality in physiotherapy. Anecdotal evidence suggests that it is being used as an assessment and biofeedback tool for various deep core stabilizing muscles. However, how and why physiotherapists use RTUS in the clinical setting has not yet been reported. Therefore, this study aimed to establish the availability and usage frequency of RTUS by physiotherapists in South Australia. In addition, the study aimed to describe how physiotherapists were using RTUS and how they were educated in its use. Method. A questionnaire was developed and mailed to all physiotherapists registered with the Physiotherapy Board of South Australia (n = 1328) between February and March 2007. Results. A response rate of 50% was achieved with 664 completed usable questionnaires returned. At the current time, only a small proportion of respondents used RTUS (11.6%), while slightly more had access to a machine (19.4%). RTUS was used most commonly for assessment (88.3%) and biofeedback (87.0%) of the abdominal (94.7%), pelvic floor (72.7%) and multifidus (54.5%) muscles. Of all respondents, 26.7% had trained in its use with most completing two hours or less of training. Conclusions. This is the first published study to describe how and why physiotherapists are using RTUS in clinical practice. RTUS appears to be a relatively uncommon modality potentially limited by insufficient access to equipment and educational opportunities. The findings highlight a greater need for education and training in the use of RTUS for physiotherapy practice. Copyright © 2008 John Wiley & Sons, Ltd.
No association between a polymorphic variant of the IRS‐1 gene and prostate cancer risk
Authors: Fall K. , Stark J.R. , Mucci L.A. , Chan J. , Stampfer M.J. , Kurth T. , Febbo P.G. , Kantoff P. , Ma J.
Published: July 2008

OBJECTIVE

Insulin receptor substrate‐1 (IRS‐1) acts as a docking protein between the insulin‐like growth factor‐1 (IGF‐1) receptor and intracellular signaling molecules in the IGF‐1 signaling pathway. Accumulating data support a role of IGF‐1 in prostate carcinogenesis. We assessed the influence of the most common IRS‐1 gene polymorphism (Gly972Arg) on prostate cancer risk, alone and in combination with IGF‐1 and other components in the IGF‐1 signaling pathway.

MATERIALS AND METHODS

In a nested case–control study within the Physicians' Health Study, the IRS‐1 polymorphism was assayed from prospectively collected samples from 564 incident prostate cancer cases and 758 controls matched on age and smoking. We calculated relative risks (RR) and 95% confidence intervals (CI) using conditional logistic regression.

RESULTS

Among the controls, 0.8% were homozygous (AA) and 12% were heterozygous (GA) for the polymorphic allele. There was no association between carriage of the A allele and total prostate cancer risk (RR = 1.1 95% CI = 0.8–1.5), advanced disease (stage C or D or lethal prostate cancer, RR = 1.3 95% CI = 0.8–2.3), or plasma IGF‐1 levels. We explored possible interactions with body mass index and components in the IGF‐1 pathway including IGFBP3, PI3k, and PTEN but none of these factors influenced the relation between IRS‐1 genotype and prostate cancer risk.

CONCLUSIONS

Our data do not support an association between carriage of the variant IRS‐1 gene and prostate cancer risk. Prostate 68: 1416–1420, 2008. © 2008 Wiley‐Liss, Inc.
T40214/PEI complex: A potent therapeutics for prostate cancer that targets STAT3 signaling
Authors: Weerasinghe Priya , Li Yifei , Guan Yongli , Zhang Ruiwen , Tweardy David J. , Jing Naijie
Published: July 2008

BACKGROUND

Prostate cancer (PC) is the most common cancer among men in American and the second leading cause of cancer death. The treatment options employed for patients with advanced and metastatic PC are limited. As a critical mediator of oncogenic signaling, STAT3 is active in 82% of patients with PC. STAT3 has become a very important molecular target for PC therapy since it upregulates the oncogenes encoding apoptosis inhibitors, cell cycle regulators, and inducers of angiogenesis. However, no anti‐tumor drug whose primary mode of action is to target STAT3 has yet reached the clinic. To this end, we have laid the initial groundwork to develop the STAT3‐inhibiting G‐quartet oligodeoxynucleotide (GQ‐ODN), T40214, for treatment of PCs.

METHODS

We employed in vitro and in vivo assays, including Western blots, EMSA, cell cycle analysis, TUNEL and xenograft models, to determine the drug efficacy and mechanism of T40214/PEI complex.

RESULTS

The results demonstrated that (i) T40214 significantly inhibited STAT3 activation and induced apoptosis in both androgen‐dependent and androgen‐independent PC cells; (ii) T40214 delivered by ployethylenimine (PEI) significantly suppressed prostate tumor growth in tumor‐bearning nude mice due to that T40214 inhibited STAT3 activation and then greatly promoted apoptosis, reduced angiogenesis and cell proliferation in prostate tumors.

CONCLUSION

Our studies suggested that STAT3 is a critical oncogenic signal, which strongly influences the progression of PCs and that T40214/PEI complex is a promising candidate for treatment of patients with prostate tumors and represents a novel strategy for PC therapy. Prostate 68: 1430–1442, 2008. © 2008 Wiley‐Liss, Inc.
Androgen regulation of multidrug resistance‐associated protein 4 (MRP4/ABCC4) in prostate cancer
Authors: Ho Lye Lin , Kench James G. , Handelsman David J. , Scheffer George L. , Stricker Phillip D. , Grygiel John G. , Sutherland Robert L. , Henshall Susan M. , Allen John D. , Horvath Lisa G.
Published: July 2008

BACKGROUND

MRP4/ABCC4 is an ATP‐binding cassette transporter expressed in normal prostate. This study aimed to define the pattern of MRP4/ABCC4 expression in normal and malignant prostate tissue and the relationship of MRP4/ABCC4 expression and function in response to androgen signaling.

METHODS

Eighty‐four radical prostatectomy specimens from patients with localized prostate cancer (PC) (22 neoadjuvant androgen ablation, AA, 62 no AA), 42 non‐cancer and 16 advanced PCs were assessed for MRP4/ABCC4 mRNA/protein expression. The effect of DHT and bicalutamide on LNCaP cells was assessed by immunoblotting. HEK293 cells (+/−MRP4/ABCC4) were assessed for the ability to efflux androgens and anti‐androgens.

RESULTS

MRP4/ABCC4 mRNA/protein levels were higher in localized PC compared to non‐cancer (P = 0.006). MRP4/ABCC4 levels were significantly decreased in PCs treated with AA compared to cancers exposed to normal testosterone levels (P < 0.0001). MRP4/ABCC4 expression in normal human tissues was limited to the prostate and the renal tubules. MRP4/ABCC4 protein levels increased in LNCaP cells after DHT which was partially blocked by bicalutamide. However, DHT did not alter the activation of the MRP4/ABCC4 promotor in luciferase reporter assays and testosterone, DHT, flutamide and hydroxy‐flutamide were not substrates for MRP4/ABCC4.

DISCUSSION

Elevated MRP4/ABCC4 expression is found in malignant compared to benign prostate tissue while lower MRP4/ABCC4 expression is seen after AA. Furthermore, MRP4/ABCC4 is upregulated by androgen and downregulated by anti‐androgen treatment in vitro potentially through an indirect mode of action. These data strongly suggest that MRP4/ABCC4 is an androgen‐regulated gene important in the progression to PC and may be a potential drug target. Prostate 68: 1421–1429, 2008. © 2008 Wiley‐Liss, Inc.
Androgen‐dependent activation of human cytomegalovirus major immediate‐early promoter in prostate cancer cells
Authors: Moon Jong‐Seok , Lee Min‐Young , Park Sahng Wook , Han Woong Kyu , Hong Soon‐Won , Ahn Jin‐Hyun , Kim Kyung‐Sup
Published: July 2008

BACKGROUND

Human cytomegalovirus (HCMV) major immediate early (MIE) promoter, which is involved in viral reactivation, is specifically activated by androgen in LNCaP prostate cancer cells.

METHODS

Androgen‐dependent transcriptional activities of the HCMV MIE promoter were measured by transient transfection assay. Expression levels of genes related to protein kinase A (PKA)‐signaling pathway was measured by RT‐PCR.

RESULTS

Activation of the HCMV MIE promoter by androgen results from an increase in PKA activities. The expression level of PKA catalytic (C) subunit beta transcript variant 2 (PKA‐Cβ2) was decreased by serum deprivation and was increased by R1881 treatment, in a pattern similar to changes of the HCMV MIE promoter activities. Furthermore the exogenous expression of PKA‐Cβ2 strongly activated the HCMV MIE promoter, indicating that regulation of the PKA‐Cβ2 expression might be a direct upstream factor in the HCMV MIE promoter regulation by androgen in LNCaP cells.

CONCLUSIONS

The data elucidated the mechanisms by which androgen activates PKA in androgen‐dependent prostate cancer cells, resulting in activation of the HCMV MIE promoter. These results support the possibility that activation of the HCMV MIE promoter by androgen in the prostate could cause the productive infection, which might contribute to oncomodulation in prostate cancers. Prostate 68: 1450–1460, 2008. © 2008 Wiley‐Liss, Inc.
Analysis of electrostatic contributions to the selectivity of interactions between RING‐finger domains and ubiquitin‐conjugating enzymes
Authors: Scheper Johanna , Oliva Baldo , Villà‐Freixa Jordi , Thomson Timothy M.
Published: July 2008

The zinc‐coordinated protein motifs known as RING‐finger domains, present on a class of ubiquitin ligases (E3's), recruit ubiquitin‐conjugating enzymes (E2s), tethering them to substrate proteins for covalent modification with ubiquitin. Each RING‐finger domain can recruit different E2s, and these interactions are frequently selective, in that certain RING‐finger domains associate preferentially with certain E2s. This selectivity acquires particular biological relevance when the recruited E2s exert specialized functions. We have explored the determinants that specify the presence or absence of experimentally detectable interaction between two RING‐finger domains, those on RNF11 and RNF103, and two E2s, UBC13, a specialized E2 that catalyzes ubiquitin chain elongation through Lys63 of ubiquitin, and UbcH7, which mediates polyubiquitylation through Lys48. Through the iterative use of computational predictive tools and experimental validations, we have found that these interactions and their selectivity are partly governed by the combinations of electrostatic interactions linking specific residues of the contact interfaces. Our analysis also predicts that the main determinants of selectivity of these interactions reside on the RING‐finger domains, rather than on the E2s. The application of some of these rules of interaction selectivity has permitted us to experimentally manipulate the selectivity of interaction of the RING‐finger domain‐E2 pairs under study. Proteins 2009. © 2008 Wiley‐Liss, Inc.
Modeling underwater penetration of LNG carrier
Authors: Woodward John L.
Published: July 2008

An underwater breach of a tank in a double‐hulled LNG carrier poses several challenging questions to be addressed by an adequate model. This article describes a model that accounts for the following phenomena: (1) LNG tank vapor space pressure decreasing by the piston effect of outflow (the effect a decreasing water level pulling down the pressure); (2) LNG evaporation in the hull space and vapor outflow through the outer breach; (3) LNG outflow and gas inflow to the LNG tank at the inner breach; (4) Ice formation by LNG evaporative cooling. The model does not allow for localized ice build up at the inner breach constricting flow. Predictions show tank pressure, LNG outflow rates, water inflow rates over time, the duration of the event, and total LNG losses. Losses are shown to be considerably less with double‐hull than with single hull construction. © 2008 American Institute of Chemical Engineers Process Saf Prog, 2008
Layered digraph model for HAZOP analysis of chemical processes
Authors: Cui Lin , Zhao Jinsong , Qiu Tong , Chen Bingzhen
Published: July 2008

Process modeling has remained challenging in the area of automating hazard and operability (HAZOP) analysis of complex chemical processes. Even though signed digraph(SDG) model has been proposed and widely applied in various HAZOP expert systems in the past one decade, the limitations of SDG have not been recognized and discussed in literature. The drawbacks of SDG models have caused incompleteness of HAZOP analysis results, which poses a significant limitation on wide acceptance of HAZOP expert systems in industrial practices. In this work, layered digraph (LDG) model extended from SDG is introduced to overcome the drawbacks of SDG models. Knowledge storage and management of LDG models are discussed in detail. Industrial case studies are used to illustrate the effectiveness of this new modeling methodology. Since process variables, process deviations, and interactions of deviations are explicitly decoupled in three dimensions, LDG model has shown to provide a much more flexible and comprehensive mechanism for HAZOP analysis. © 2008 American Institute of Chemical Engineers Process Saf Prog, 2008