bluuebunny/crossref_metadata_2025 huggingface dataset:
A physiologically based pharmacokinetic (PBPK) approach to evaluate pharmacokinetics in patients with cancer
Authors: Cheeti Sravanthi , Budha Nageshwar R. , Rajan Sharmila , Dresser Mark J. , Jin Jin Y.
Published: December 2012

Potential differences in pharmacokinetics (PK) between healthy subjects and patients with cancer were investigated using a physiologically based pharmacokinetic approach integrating demographic and physiological data from patients with cancer. Demographic data such as age, sex and body weight, and clinical laboratory measurements such as albumin, alpha‐1 acid glycoprotein (AAG) and hematocrit were collected in ~2500 patients with cancer. A custom oncology population profile was built using the observed relationships among demographic variables and laboratory measurements in Simcyp® software, a population based ADME simulator. Patients with cancer were older compared with the age distribution in a built‐in healthy volunteer profile in Simcyp. Hematocrit and albumin levels were lower and AAG levels were higher in patients with cancer. The custom population profile was used to investigate the disease effect on the pharmacokinetics of two probe substrates, saquinavir and midazolam. Higher saquinavir exposure was predicted in patients relative to healthy subjects, which was explained by the altered drug binding due to elevated AAG levels in patients with cancer. Consistent with historical clinical data, similar midazolam exposure was predicted in patients and healthy subjects, supporting the hypothesis that the CYP3A activity is not altered in patients with cancer. These results suggest that the custom oncology population profile is a promising tool for the prediction of PK in patients with cancer. Further evaluation and extension of this population profile with more compounds and more data will be needed. Copyright © 2012 John Wiley & Sons, Ltd.
Free radical scavenging activity of novel thiazolidine‐2,4‐dione derivatives
Authors: Berczyński Paweł , Kruk Irena , Piechowska Teresa , Ceylan‐Unlusoy Meltem , Bozdağ‐Dündar Oya , Aboul‐Enein Hassan Y.
Published: December 2012

Free radical activity towards superoxide anion radical (), hydroxyl radical (HO•) and 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH•) of a series of novel thiazolidine‐2,4‐dione derivatives (TSs) was examined using chemiluminescence, electron paramagnetic resonance (EPR) and EPR spin trapping techniques. 5,5‐Dimethyl‐1‐pyrroline‐N‐oxide (DMPO) was applied as the spin trap. Superoxide radical was produced in the potassium superoxide/18‐crown‐6 ether dissolved in dimethyl sulfoxide. Hydroxyl radical was generated in the Fenton reaction (Fe(II) + H2O2. It was found that TSs showed a slight scavenging effect (15–38% reduction at 2.5 mmol/L concentration) of the DPPH radical and a high scavenging effect of (41–88%). The tested compounds showed inhibition of HO• ‐dependent DMPO‐OH spin adduct formation (the amplitude of EPR signal decrease ranged from 20 to 76% at 2.5 mmol/L concentration. Our findings present new group compounds of relatively high reactivity towards free radicals. Copyright © 2012 John Wiley & Sons, Ltd.
Analysis of heterogeneity in nonspecific PEGylation reactions of biomolecules
Authors: Hakem Ilhem F. , Leech Anna M. , Bohn Justin , Walker Jeremy P. , Bockstaller Michael R.
Published: December 2012

The compositional heterogeneity associated with polymer conjugation reactions of biomolecules is analyzed for the particular case of nonspecific PEGylation reactions. It is shown that the distribution of the number of PEG moieties grafted to biomolecules such as proteins is a binomial‐type function of two parameters—the reaction efficiency as well as the number of binding sites per biomolecule. The nature of this distribution implies that uniform compositions are favored for increasing number of coupling sites per biomolecule as well as for increasing efficiency of the modification process. Therefore, the binomial distribution provides a rationale for the pronounced heterogeneity that is observed for PEGylated small enzyme systems even at high coupling efficiencies. For the particular case of PEGylated trypsin it is shown that the heterogeneity results in a broad distribution of deactivation times that is captured by a stretched exponential decay model. The presented analysis is expected to apply to general modification processes of compounds in which partial functionalization of a fixed number of reactive sites is achieved by means of a nonspecific coupling reaction. © 2012 Wiley Periodicals, Inc. Biopolymers 99: 427–435, 2013.
Development of a sensitive and rapid UPLC‐MS/MS method for the determination of koumine in rat plasma: application to a pharmacokinetic study
Authors: Chen Jian‐Zhong , Li Yu , Xiao Jian‐Ping , Wu Shui‐Sheng , Song Heng‐Wen
Published: December 2012

A rapid, selective and sensitive method using UPLC‐MS/MS was first developed and validated for quantitative analysis of koumine in rat plasma. A one‐step protein precipitation with methanol was employed as a sample preparation technique. Plasma samples were separated on an Acquity UPLC BEH C18 column (50 × 2.1 mm, i.d. 1.7 µm) with a gradient mobile phase consisting of methanol with 0.1% (v/v) formic acid and water containing 0.1% (v/v) formic acid at a flow rate of 0.3 mL/min. Detection and quantification were performed on a triple quadrupole tandem mass spectrometer by multiple reaction monitoring mode via positive eletrospray ionization. Good linearity (r > 0.9997) was achieved using weighted (1/x2) least squares linear regression over a concentration range of 0.025–15 µg/mL with a lower limit of quantification of 0.025 µg/mL for koumine. The intra‐ and inter‐ precisions (relative standard deviation) of the assay at all three quality control samples were 5.6–14.1% with an accuracy (relative error) of 5.0–14.0%, which meets the requirements of the US Food and Drug Administration guidance. This developed method was successfully applied to an in vivo pharmacokinetic study in rats after a single intravenous dose of 20 mg/kg koumine. Copyright © 2012 John Wiley & Sons, Ltd.
Indirect enantioseparation of proteinogenic amino acids using naproxen‐based chiral derivatizing reagent and HPLC
Authors: Bhushan Ravi , Nagar Hariom
Published: December 2012

Diastereomers of 18 proteinogenic amino acids were synthesized under microwave irradiation and by vortexing using (S)‐naproxen–benzotriazole as chiral derivatizing reagent. The diastereomers synthesized by two approaches were found to be identical in terms of their characterization and chromatographic data. A linear gradient of triethylammonium phosphate (pH 3.5)–acetonitrile (30–65%, within 35 min) was found to be successful using reversed‐phase high‐performance liquid chromatography for their separation. Detection was carried out at 231 nm and sharp peaks were obtained. The method was validated for accuracy, precision and limit of detection. Copyright © 2012 John Wiley & Sons, Ltd.
CO2 Emissions and Financial Performance of Socially Responsible Firms: An Empirical Survey
Authors: Sariannidis Nikolaos , Zafeiriou Eleni , Giannarakis Grigoris , Arabatzis Garyfallos
Published: December 2012

A firm's financial performance is closely related to its environmental behavior. This result is valid especially in the case of socially responsible firms. In the present study a data econometric analysis is conducted based on a GARCH model for socially responsible and conventional firms. According to our findings, the performance of socially responsible firms is negatively related to an increase of global CO2 emissions. The firms' costs for implementing environmental policies and the investors' attitude towards the aforementioned firms may account for our results. Copyright © 2012 John Wiley & Sons, Ltd and ERP Environment.
Sustainability Development and the Quality of Assurance Reports: Empirical Evidence
Authors: Zorio Ana , García‐Benau Maria A. , Sierra Laura
Published: December 2012

There is a rising trend among companies to publish their sustainability or corporate social responsibility (CSR) reports. Assurance of these reports is a valuable voluntary tool to provide them with higher credibility. Nonetheless, the quality of assurance reports differs in practice and the objective of this paper is to provide evidence in this new area of research. Indeed, we are pioneers in developing an index to measure the quality of assurance reports. We choose the Spanish setting because it is the worldwide leading country as regards CSR reporting (KPMG, 2011; Sierra et al., 2012). We have found evidence on the determinants for CSR reporting posited by existing literature that have an impact on (a) the decision of companies to publish their CSR reports, (b) the decision to assure the CSR report or not and (c) the decision to hire the assurance services from an auditor or a consultant and the subsequent quality of the assurance report. Last but not least, our results from a sample of 161 CSR assurance reports evidence that assurance reports are of fairly acceptable quality, according to the index proposed. Furthermore, the value of the quality index is significantly higher if the assurance services are provided by an auditor (as opposed to a consultant) and if the CSR reporting company is larger. Copyright © 2012 John Wiley & Sons, Ltd and ERP Environment.
Optimization of routine KRAS mutation PCR‐based testing procedure for rational individualized first‐line‐targeted therapy selection in metastatic colorectal cancer
Authors: Chretien Anne‐Sophie , Harlé Alexandre , Meyer‐Lefebvre Magali , Rouyer Marie , Husson Marie , Ramacci Carole , Harter Valentin , Genin Pascal , Leroux Agnès , Merlin Jean‐Louis
Published: December 2012

KRAS mutation detection represents a crucial issue in metastatic colorectal cancer (mCRC). The optimization of KRAS mutation detection delay enabling rational prescription of first‐line treatment in mCRC including anti‐EGFR‐targeted therapy requires robust and rapid molecular biology techniques. Routine analysis of mutations in codons 12 and 13 on 674 paraffin‐embedded tissue specimens of mCRC has been performed for KRAS mutations detection using three molecular biology techniques, that is, high‐resolution melting (HRM), polymerase chain reaction restriction fragment length polymorphism (PCR‐RFLP), and allelic discrimination PCR (TaqMan PCR). Discordant cases were assessed with COBAS 4800 KRAS CE‐IVD assay. Among the 674 tumor specimens, 1.5% (10/674) had excessive DNA degradation and could not be analyzed. KRAS mutations were detected in 38.0% (256/674) of the analysable specimens (82.4% in codon 12 and 17.6% in codon 13). Among 613 specimens in whom all three techniques were used, 12 (2.0%) cases of discordance between the three techniques were observed. 83.3% (10/12) of the discordances were due to PCR‐RFLP as confirmed by COBAS 4800 retrospective analysis. The three techniques were statistically comparable (κ > 0.9; P < 0.001). From these results, optimization of the routine procedure consisted of proceeding to systematic KRAS detection using HRM and TaqMan and PCR‐RFLP in case of discordance and allowed significant decrease in delays. The results showed an excellent correlation between the three techniques. Using HRM and TaqMan warrants high‐quality and rapid‐routine KRAS mutation detection in paraffin‐embedded tumor specimens. The new procedure allowed a significant decrease in delays for reporting results, enabling rational prescription of first‐line‐targeted therapy in mCRC.
‘Faking brands’: Consumer responses to counterfeiting
Authors: Hamelin Nicolas , Nwankwo Sonny , El Hadouchi Rachad
Published: December 2012

Whilst counterfeiting is regarded as one of the ‘oldest crimes in history’, contextualised treatments of Middle East and North Africa (MENA region) are rare despite growing interconnections with the global economy. Accordingly, this paper explores consumer motivations to purchase counterfeit products and identifies possible counter‐influences. Data from a survey of 400 respondents drawn from Morocco was tested with logistic regression models to determine the significant factors that trigger responsiveness and deterrence to counterfeit products. The tests were based on three product categories: clothing, cosmetics and mobile phones. Additionally, consumer demographics and selected social triggers were evaluated to build a profile of consumers typically likely to consider buying (or avoiding) counterfeit goods. Results show that concerns related to health, disappointment risk and integrity are the most significant countervailing factors on behavioural intentions towards purchasing counterfeits. On a socio‐demographic level, it was found that low‐income consumers are more positively disposed to buying counterfeits. Gender also seems to have an explanatory force. Women with higher educational backgrounds are less likely than men to consider buying counterfeit goods. For all the products evaluated, quality and price consistently proved the most important factors driving the intention to buy counterfeits. The implications are highlighted; combating counterfeiting is not an exclusive preserve of any single entity (governments, business or para‐governmental agencies) but a shared responsibility. There is a lot at stake for consumers, manufacturers and the industrial nations if the menace is not effectively checked.

Copyright © 2012 John Wiley & Sons, Ltd.
Endocarditis of amplatzer® occluder devices after percutaneous closure of a mitral paravalvular leak
Authors: Lee Candice Y. , Ling Frederick S. , Knight Peter A.
Published: December 2012

Symptomatic paravalvular leaks (PVL) are a relatively uncommon, but potentially significant postoperative complication of valve replacement surgery. Percutaneous repair of PVLs has become an increasingly utilized approach in patients whose comorbidities obviate surgical repair. We present an interesting case of a gentleman who underwent successful repair of a mitral PVL with Amplatzer devices following initial aortic and mitral valve replacements for bacterial endocarditis. He later developed fungal endocarditis that ultimately required re‐operation to remove the devices and replace his mitral and aortic valves. This complication of closure devices, although reportedly rare, should be considered when contemplating a percutaneous approach. © 2012 Wiley Periodicals, Inc.
Two‐year outcomes after deployment of XIENCE V everolimus‐eluting stents in patients undergoing percutaneous coronary intervention of bifurcation lesions: A report from the SPIRIT V single arm study
Authors: Džavík Vladimír , Kaul Upendra , Guagliumi Guilio , Chevalier Bernard , Smits Peter C. , Stuteville Marrianne , Li Dong , Sudhir Krishnankutty , Grube Eberhard
Published: December 2012

The aim of this analysis was to analyze outcomes of patients undergoing Xience V EES treatment of bifurcation lesions, a subset in which treatment is particularly challenging. The SPIRIT V Study provided an evaluation of the Xience V everolimus eluting stent (EES) performance in complex patient and lesion population. The SPIRIT V Single Arm Study enrolled 2700 patients with de novo coronary artery lesions suitable to be optimally treated with a maximum of four planned Xience V EES. Lesion evaluation was by visual assessment. The outcomes of the 492 patients undergoing Xience V EES stenting of ≥1 bifurcation lesion were compared to those with no bifurcation lesion treated. Compared to those without bifurcation treatment, patients with bifurcation treatment were more likely to have multi‐vessel disease (49% vs 40%), left main treatment (3.1% vs 0.9%), more lesions treated (1.5 vs 1.3), calcification (36.4% vs 27.5%), and ostial (17.1% vs 8.2%) and angulated lesions (29.3% vs 21.1%), all P < 0.001. The 30‐day composite rate of death, myocardial infarction (MI), target vessel revascularization (TVR) was 4.3% in patients with bifurcation PCI and 2.2% in those with non‐bifurcation PCI (P = 0.017). At 2 years, this composite event rate was 11.3% and 10.0% in these two groups, respectively (P = 0.403). Rates of cardiac death, MI, target lesion revascularization (TLR), TVR, and ARC defined definite or probable stent thrombosis (0.4% vs 0.9%, P = 0.402) were not significantly different between the two groups. Despite greater patient and lesion complexity, treatment of patients with bifurcation lesions using the Xience V EES in the SPIRIT V prospective Single Arm Study was safe and effective, with low overall event rates that were similar to those without bifurcation lesion treatment. © 2013 Wiley Periodicals, Inc.
Half a World Away: The Integration and Assimilation of Corporate Social Responsibility, Sustainability, and Sustainable Development in Business School Curricula
Authors: Doh Jonathan P. , Tashman Peter
Published: December 2012

In this paper, we review efforts by business school academics to integrate corporate social responsibility, sustainability, and sustainable development in their teaching and coursework. We draw from recent research to describe the challenges and constraints to such integration, as well as the opportunities and potential of such efforts. We then report on the results of a survey of academics in business schools which underscore these challenges and constraints. We conclude with suggestions regarding how individual faculty members, business schools, and the broader field and its institutions can respond to the relative absence of these subjects and their integration in business school curricula. Copyright © 2012 John Wiley & Sons, Ltd and ERP Environment.
Cuprous Halide Coordination Polymers Based on Cationic [Cu4X2] and [Cu3X] Clusters and [Cu2Br]n Layers with Tetrazolates as Assembling Ligands: Highly Connected Networks and Halide‐Dependent Luminescence
Authors: Jiang Dong‐Ping , Yao Ru‐Xin , Ji Fang , Zhang Xian‐Ming
Published: December 2012

Five tetrazolate‐based coordination polymers with cationic copper(I) halide motifs, namely, Cu4(tta)2Cl2 (1, tta = tetrazolate), Cu4(tta)2Br2 (2), Cu2(tta)I (3), Cu3(mtta)2Cl (4, mtta = 5‐methyltetrazolate), and Cu2(tta)Br (5) were prepared by hydro(solvo)thermal reactions of CuX2 or CuX with tetrazolato ligands in the presence of HX. Compounds 1, 2, and 3 show eight‐connected square‐planar layered structures constructed with butterfly‐like [Cu4X2]2+ (X = Cl, Br, I) clusters and μ4‐tta groups. Isomorphs 1 and 2 crystallize in the orthorhombic space group Pbca, but 3 crystallizes in the orthorhombic space group Pbam, because each μ4‐tta group is coordinated to three butterfly‐like clusters rather than four in 1 and 2. To the best of our knowledge, 1, 2, and 3 represent the only 2D coordination polymers with eight‐connected square planar topology to date. Compound 4 is a [Cu3Cl]2+ cluster based on the undocumented ten‐connected ZrIn2 topological framework. Compound 5 has a 3D pillar layered framework constructed with [Cu2Br]nn+ cationic layers. Compounds 1, 2, 4, and 5 exhibit strong green‐blue emission in the solid state at room temperature, whereas cuprous iodide complex 3 shows strong red luminescence.
An Efficient Titanium Amidinate Catalyzed Version of Ziegler's “Aufbaureaktion”
Authors: Obenauf Johannes , Kretschmer Winfried P. , Bauer Tobias , Kempe Rhett
Published: December 2012

Diethylamidotitanium trichloride reacts with a variety of bulky amidines ArN(H)C(Ar′)NAr [Ar = 2,6‐diisopropylphenyl; Ar′ = Ph, p‐Me2NC6H4, p‐MeOC6H4, p‐(2,5‐dimethylpyrrole)C6H4] to form ammonium titanates. These new titanium complexes undergo polyethylenyl chain transfer polymerization to aluminium alkyls after activation with d‐MAO (“dry methylaluminoxane”). Ethylene is polymerized with an activity of up to 1000 kgPE molcat–1 h–1 bar–1 in the presence of 1000 equiv. of triethylaluminium. Linear aluminium‐terminated polyethylene is the only product observed. This polymerization process can be viewed as an efficient catalytic version of Ziegler's “Aufbaureaktion”.
Carica papaya Lipase Catalysed Resolution of β‐Amino Esters for the Highly Enantioselective Synthesis of (S)‐Dapoxetine
Authors: You Pengyong , Qiu Jian , Su Erzheng , Wei Dongzhi
Published: December 2012

An efficient synthesis of the (S)‐3‐amino‐3‐phenylpropanoic acid enantiomer has been achieved by Carica papaya lipase (CPL) catalysed enantioselective alcoholysis of the corresponding racemic N‐protected 2,2,2‐trifluoroethyl esters in an organic solvent. A high enantioselectivity (E > 200) was achieved by two strategies that involved engineering of the substrates and optimization of the reaction conditions. Based on the resolution of a series of amino acids, it was found that the structure of the substrate has a profound effect on the CPL‐catalysed resolution. The enantioselectivity and reaction rate were significantly enhanced by switching the conventional methyl ester to an activated trifluoroethyl ester. When considering steric effects, the substituted phenyl and amino groups should not both be large for the CPL‐catalysed resolution. The mechanism of the CPL‐catalysed enantioselective alcoholoysis of the amino acids is discussed to delineate the substrate requirements for CPL‐catalysed resolution. Finally, the reaction was scaled up, and the products were separated and obtained in good yields (≥ 80 %). The (S)‐3‐amino‐3‐phenylpropanoic acid obtained was used as a key chiral intermediate in the synthesis of (S)‐dapoxetine with very high enantiomeric excess (> 99 %).
Self‐Metathesis of Polyol Allyl Ethers towards Carbohydrate‐Based Oligohydroxy Derivatives
Authors: Tober Maike , Thiem Joachim
Published: December 2012

Various allyl ethers of 1,4‐anhydro‐D‐sorbitol and pentaerythritol were synthesised as starting materials for self‐metathesis reactions. Thus, dimeric compounds having six free hydroxy groups became accessible and should be used as potential analogues of dipentaerythritol for alkyd resin formation.
2,1,3‐Benzothiadiazole and Derivatives: Synthesis, Properties, Reactions, and Applications in Light Technology of Small Molecules
Authors: Neto Brenno A. D. , Lapis Alexandre A. M. , da Silva Júnior Eufrânio N. , Dupont Jairton
Published: December 2012

2,1,3‐Benzothiadiazole (BTD) is one of the most important nuclei used in the chemistry of photoluminescent compounds and applicable for light technology. The understanding of its properties and reactions is fundamental for the design and application of these derivatives in molecular organic electronic devices and for other technologies. As a result of their potential as constituents of organic light‐emitting diodes, solar cells, liquid crystals, dyes, photovoltaic cells, and many others, attention has been focused on BTD π‐extended derivatives with potential use in this exciting area. Herein, we describe their syntheses, properties, reactions, and selected examples of applications in light technology using by BTD (small molecules) as the core.
Influence of counting methodology on erythrocyte ratios in the mouse micronucleus test
Authors: LeBaron Matthew J. , Schisler Melissa R. , Torous Dorothea K. , Dertinger Stephen D. , Gollapudi B. Bhaskar
Published: December 2012

The mammalian erythrocyte micronucleus test is widely used to investigate the potential interaction of a test substance with chromosomes or mitotic apparatus of replicating erythroblasts. In addition to the primary endpoint, micronucleated erythrocyte frequency, the proportion of immature erythrocytes is measured to assess the influence of treatment on erythropoiesis. The guideline recommendation for an acceptable limit of the immature erythrocyte fraction of not < 20% of the controls was based on traditional scoring methods that consider RNA content. Flow‐based sample analysis (e.g., MicroFlow®) characterizes a subpopulation of RNA‐containing reticulocytes (RETs) based on CD71 (transferrin receptor) expression. As CD71+ cells represent a younger cohort of RETs, we hypothesized that this subpopulation may be more responsive than the RNA+ fraction for acute exposures. This study evaluated RET population in the peripheral blood of two strains of mice treated by oral gavage with three clastogens (cyclophosphamide, N‐ethyl‐N‐nitrosourea, and methyl methanesulfonate). Although CD71+ frequencies correlated with RNA‐based counts, the relative treatment‐related reductions were substantially greater. Accordingly, when using the flow cytometry‐based CD71+ values for scoring RETs in an acute treatment design, it is suggested that a target value ≥ 5% CD71+ reticulocytes (i.e., 95% depression in reticulocytes proportion) be considered as acceptable for a valid assay. Environ. Mol. Mutagen. 54:222–228, 2013. © 2013 Wiley Periodicals, Inc.
Low sclareol by‐product of clary sage concrete: chemical analysis of a waste product of the perfume industry
Authors: Laville Rémi , Castel Cécilia , Fattarsi Karine , Roy Celine , Legendre Laurent , Delbecque Claire , Garry Pierre‐Philippe , Audran Arthur , Fernandez Xavier
Published: December 2012

In line with the sustainable development objectives of the Claryssime® research programme, a by‐product of Salvia sclarea concrete (low sclareol by‐product) obtained from industrial sclareol purification, was subjected to full chemical fractionation, characterization and assessment of its economic potential as a by‐product synergy candidate. Fractionation and intensive semi‐preparative high‐performance liquid chromatography isolation led to the characterization of several compounds that belong to different metabolite families, including flavonoids [salvigenin (3), 1.8%], diterpenoids [sclareol (6), 4.6%] and triterpenoids [oleanolic acid (10), 6.2%], and triacylglycerols (60.8%). The triacylglycerol fraction was further studied: its total fatty acid content was analysed by gas chromatography–mass spectrometry and all the triacylglycerols were described by ultra‐performance liquid chromatography–quadrupole time of flight mass spectrometry (UPLC‐QToF) analysis. The reproducibility of the low sclareol by‐product chemical composition was assessed and validated by quantitative high‐performance liquid chromatography–evaporative light scattering detector analysis and its evolution during the process was investigated via the analysis of a rich sclareol by‐product. Such an analytical approach, from the improved fractionation to the triacylglycerol analysis via UPLC‐QToF, can be applied to many industrial concretes or other by‐products from natural ingredient extraction. Copyright © 2012 John Wiley & Sons, Ltd.
Synthesis and Characterization of Sulfonated Cardo Poly(Arylene Ether Sulfone)s for Fuel Cell Proton Exchange Membrane Application
Authors: Islam Md. M. , Jang H.‐H. , Lim Y.‐D. , Seo D.‐W. , Kim T.‐H. , Hong Y.‐T. , Kim D.‐M. , Kim W.‐G.
Published: December 2012

Sulfonated cardo poly(arylene ether sulfone)s (SPPA‐PES) with various degrees of sulfonation (DS) were prepared by post‐sulfonation of synthesized phenolphthalein anilide (PPA; N‐phenyl‐3,3′‐bis(4‐hydroxyphenyl)‐1‐isobenzopyrolidone) poly(arylene ether sulfone)s (PPA‐PES) by using concentrated sulfuric acid. PPA‐PES copolymers were synthesized by direct polycondensation of PPA with bis‐(4‐fluorophenyl)‐sulfone and 4,4′‐sulfonyldiphenol. The DS was varied with different mole ratios of PPA (24, 30, 40, 50 mol.%) in the polymer. The structure of the resulting SPPA‐PES copolymers and the different contents of the sulfonated unit were studied by Fourier transform infrared (FT‐IR) spectroscopy, 1H NMR spectroscopy, and thermogravimetric analysis (TGA). Sorption experiments were conducted to observe the interaction of sulfonated polymer with water. The ion exchange capacity (IEC) and proton conductivity of SPPA‐PES were evaluated according to the increase of DS. The water uptake (WU) of the resulting SPPA‐PES membranes was in the range of 20–72%, compared with 28% for Nafion 211®. The SPPA‐PES membranes showed proton conductivities of 23–82 mS cm–1, compared with 194 mS cm–1 for Nafion 211®, under 100% relative humidity (RH) at 80 °C.
Dancing as a psychosocial intervention in care homes: a systematic review of the literature
Authors: Guzmán‐García A. , Hughes J. C. , James I. A. , Rochester L.
Published: December 2012

Background

There is a need to find meaningful and engaging interventions to improve mood and behaviour for residents of care homes. The demand on care staff might diminish opportunities for them to encourage these activities. Staff anecdotal information attests that dancing as an activity improves mood in residents and staff. Hence, the importance of investigating what dancing brings to the care home social environment.

Aims

To provide a systematic review of the evidence from studies related to dancing interventions for older people with dementia living in care homes.

Method

Electronic databases were searched. Previous reviews were also included, and recognised experts were consulted up to January 2012. Inclusion criteria considered study methodology and evidence that the impact of the dance intervention had been measured.

Results

Ten studies were identified that satisfied the inclusion criteria: seven qualitative and three quantitative. Studies used different approaches such as therapeutic dance, dance movement therapy, dance therapy, social dancing and psychomotor dance‐based exercise. There was evidence that problematic behaviours decreased; social interaction and enjoyment in both residents and care staff improved. A few adverse effects were also acknowledged.

Conclusion

The evidence on the efficacy of dancing in care homes is limited in part owing to the methodological challenges facing such research. This review aims to raise awareness of the possibility of implementing dance work as an engaging activity in care homes. We shall also consider options for future dance work research as a means to encourage relationships and sensory stimulation for both residents and staff. Copyright © 2012 John Wiley & Sons, Ltd.
Optimal decision rules for HTA under uncertainty: a wider, dynamic perspective
Authors: Forster Martin , Pertile Paolo
Published: December 2012

We present a two‐period framework, which combines real option and decision‐theoretic approaches to health technology assessment under uncertainty. By viewing adoption, treatment and research decisions as a single economic project, we illustrate how their key dimensions affect optimal rules. We consider the results in relation to the existing literature and argue that developments in this direction could contribute substantially to efficiency gains in resource allocation. Copyright © 2012 John Wiley & Sons, Ltd.
Monte Carlo simulations shed light on Bathsheba's suspect breast
Authors: Heijblom Michelle , Meijer Linda M. , van Leeuwen Ton G. , Steenbergen Wiendelt , Manohar Srirang
Published: December 2012

In 1654, Rembrandt van Rijn painted his famous painting Bathsheba at her Bath. Over the years, the depiction of Bathsheba's left breast and especially the presence of local discoloration, has generated debate on whether Rembrandt's Bathsheba suffered from breast cancer. Historical, medical and artistic arguments appeared to be not sufficient to prove if Bathsheba's model truly suffered from breast cancer. However, the bluish discoloration of the breast is an intriguing aspect from a biomedical optics point of view that might help us ending the old debate. By using Monte Carlo simulations in combination with the retinex theory of color vision, we showed that is highly unlikely that breast cancer results in a local bluish discoloration of the skin as is present on Bathsheba's breast. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Investigation of the human tympanic membrane oscillation ex vivo by Doppler optical coherence tomography
Authors: Burkhardt Anke , Kirsten Lars , Bornitz Matthias , Zahnert Thomas , Koch Edmund
Published: December 2012

Investigations of the tympanic membrane (TM) can have an important impact on understanding the sound conduction in the ear and can therefore support the diagnosis and treatment of diseases in the middle ear. High‐speed Doppler optical coherence tomography (OCT) has the potential to describe the oscillatory behaviour of the TM surface in a phase‐sensitive manner and additionally allows acquiring a three‐dimensional image of the underlying structure. With repeated sound stimuli from 0.4 kHz to 6.4 kHz, the whole TM can be set in vibration and the spatially resolved frequency response functions (FRFs) of the tympanic membrane can be recorded. Typical points, such as the umbo or the manubrium of malleus, can be studied separately as well as the TM surface with all stationary and wave‐like vibrations. Thus, the OCT methodology can be a promising technique to distinguish between normal and pathological TMs and support the differentiation between ossicular and membrane diseases. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Surface enhanced Raman scattering on Tardigrada – towards monitoring and imaging molecular structures in live cryptobiotic organisms
Authors: Kneipp Harald , Møbjerg Nadja , Jørgensen Aslak , Bohr Henrik G. , Hélix‐Nielsen Claus , Kneipp Janina , Kneipp Katrin
Published: December 2012

Tardigrades are microscopic metazoans which are able to survive extreme physical and chemical conditions by entering a stress tolerant state called cryptobiosis. At present, the molecular mechanisms behind cryptobiosis are still poorly understood. We show that surface enhanced Raman scattering supported by plasmonic gold nanoparticles can measure molecular constituents and their local distribution in live tardigrades. Surface enhanced Raman signatures allow to differentiate between two species and indicate molecular structural differences between tardigrades in water and in a dry state. This opens new avenues for exploring cryptobiosis by studying molecular changes in live cryptobiotic organisms. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Preliminary studies of a novel cyclopentadienyl tricarbonyl technetium‐99m fatty acid derivative for myocardical imaging
Authors: Zeng Huahui , Zhang Huabei , Wu Xiangxiang , Chao Fangfang , Yu Gang , Zhang Liqing , Jiang Han , Liu Hongbiao , Hou Haifeng , Zhan Hongwei , Zhang Hong , Tian Mei
Published: December 2012

This study reports the synthesis and evaluation studies of 6′‐cyclopentadienyl tricarbonyl technetium‐99m 6′‐oxo‐11‐(hexanamide)undecanoic acid (1). 1 was prepared with 26.5 ± 4.3% of radiochemical yield and more than 98% of radiochemical purity. Tissue distribution in mice showed that high radioactivity accumulated in the heart with moderate clearance. However, unfortunately, similar to those of other technetium‐labeled fatty acid analogs, the biodistribution studies of 1 in mice showed poor heart‐to‐blood ratios, which suggested that 1 cannot be used as myocardial imaging agent, and it may provide a theoretical basis or a lab experience for corresponding fatty acid tracers studies.
Comparative morphology of porpoise (cetacea: Phocoenidae) pterygoid sinuses: Phylogenetic and functional implications
Authors: Racicot Rachel A. , Berta Annalisa
Published: December 2012

Cover illustration. CTreconstruction of a Phocoena skull in anterior view; bone is rendered transparent and the pterygoid sinuses rendered in blue. High‐resolution X‐ray computed tomographic scans can be used to examine sinusoids within the vertebrate skull. In this issue of the Journal of Morphology Racicot and Berta employ CT imaging to study the pterygoid sinus morphology within extant porpoise species and one delphinid (pp. 49–62). The main goals of that study are: 1) detect intraspecific and interspecific variation among the studied species; 2) find the most parsimonious sequence of character acquisition; and 3) determine the potential functional roles of the preorbital lobes of the sinuses in sound reflection. The results of this study reinforce the importance of using nondestructive methods to quantify variation in endocranial anatomy and the value of CT data for recovering phylogenetically relevant information, as well as for analyzing the functional roles sinuses play in concert with the soft tissue head anatomy for biosonar.
When the abuse is unevenly distributed: The effects of abusive supervision variability on work attitudes and behaviors
Authors: Ogunfowora Babatunde
Published: December 2012

The present study examined the consequences of a dispersion‐based conceptualization of unit‐level abusive supervision or abusive supervision variability. Abusive supervision variability was proposed to negatively affect a number of employee attitudes and behaviors through the mediating effects of interpersonal justice climate strength. The results revealed significant cross‐level effects such that abusive supervision variability was negatively related to individual perceptions of leader ethicality, organizational ethicality, leader satisfaction, and affective organizational commitment. These effects remained robust after controlling for individual‐level abusive supervision. Abusive supervision variability was also positively related to the frequency with which unit members as a whole engaged in counterproductive work behaviors. Last, the results revealed partial support for the mediating effects of interpersonal justice climate strength. In sum, the findings highlight the importance of examining abusive supervision at both the individual and unit levels of analyses. Copyright © 2012 John Wiley & Sons, Ltd.
Proactive and reactive helping: Contrasting the positive consequences of different forms of helping
Authors: Spitzmuller Matthias , Van Dyne Linn
Published: December 2012

Research on helping has identified positive consequences of helping for the helper, beneficiary, group, and organization. Recent research, however, raises concerns about contingencies that influence the outcomes of helping and suggests the need for a more nuanced perspective on the positive outcomes of helping. In this paper, we develop a novel theoretical perspective to address these contingencies by differentiating between proactive helping and reactive helping. Drawing from the two main theoretical frameworks, which have been used as the basis for studying helping—social exchange theory and functional motives theory—we discuss differences in the positive consequences of reactive and proactive helping for helpers, dyads, groups, and organizations. We submit that reactive helping facilitates heedful relationships, such that it creates and perpetuates social exchange norms that benefit others in the group. Conversely, we posit that proactive helping is often based on fulfilling personal needs, such that it benefits the self in terms of reputational benefits, well‐being, favorable self‐evaluations, need satisfaction, and self‐development. We discuss theoretical implications of this framework for future research on the positive consequences of helping. Copyright © 2012 John Wiley & Sons, Ltd.
A‐band structural dynamics of thioanisole by resonance Raman spectroscopy
Authors: Liu Ming‐Xia , Xie Bin‐Bin , Li Ming‐Juan , Zhao Yan‐Ying , Pei Ke‐Mei , Wang Hui‐Gang , Zheng Xuming
Published: December 2012

The structural dynamics of thioanisole in the S2(ππ*) electronic state that has large oscillator strength was studied by using the resonance Raman spectroscopy. The vibrational assignments were done for thioanisole on the basis of the FT‐Raman and FT‐IR measurements, the density‐functional theory computations and the normal mode analysis. The A‐ and B‐band resonance Raman spectra were obtained in cyclohexane, methanol and acetonitrile, in which ten modes in A’ irreducible representations were observed. The structural dynamics were obtained according to the resonance Raman intensity pattern. The vibroinc‐coupling between the S3(πσ*) electronic state that has no oscillator strength and the S2(ππ*) electronic state were revealed. We discuss the correlation between our present structural dynamics and the previous S2(ππ*)/S3(πσ*) conical intersectional dynamics revealed by resonant‐enhanced two‐photon ionization and the photofragment excitation spectroscopic study. Copyright © 2012 John Wiley & Sons, Ltd.
On the potential of Raman‐spectroscopy‐based carbonate mass spectrometry
Authors: McKay Nicholas P. , Dettman David L. , Downs Robert T. , Overpeck Jonathan T.
Published: December 2012

The potential for using Raman spectroscopy to measure stable oxygen isotope ratios (18O/16O) in carbonates is evaluated by measuring the Raman spectra and isotope ratios of a suite of 60 synthesized, 18O‐enriched calcite crystals ranging in composition from natural abundance (0.2 mole‐% 18O) to 1.2 mole‐% 18O. We determined the Raman‐inferred isotopic ratios (RRaman) by fitting curves to the ν1 symmetric stretching peak at 1086 cm−1 and the smaller satellite peak, associated with the ν1 stretching mode of singly substituted carbonate groups (C16O218O) at 1065 cm−1. The ratio of the two peak areas shows a 1:1 correspondence with the 18O/16O ratios derived from standard mass spectrometry methods, confirming that the relative intensities of the ν1 symmetric stretching peaks is a direct measure of the isotopic ratio in the carbonates. The 1‐sigma uncertainties of the RRaman values of the individual crystals were 0.00079 (384‰ PDB) and 0.00043 (210‰ PDB) for the four‐crystal sample means. This level of uncertainty is much too high to provide significant estimates of natural variability; however, there are multiple prospects for improving the accuracy and precision of the technique. Carbon isotope ratios in carbonates cannot be measured by our approach, but our results highlight the potential of Raman‐based isotope ratio measurement for C and other elements in minerals and organic compounds. Copyright © 2012 John Wiley & Sons, Ltd.
Experimental investigations on the weakening effect of magnetic fields on surface‐enhanced Raman scattering
Authors: Li Ran , Chen Qian‐Wang , Zhang Hao , Kong Xiang‐Kai , Sun Yu‐Bing , Zhong Hao , Wang Hui , Zhou Shuai
Published: December 2012

Currently, because of the wide use of magnetic/metal hybrid materials in the field of surface‐enhanced Raman scattering (SERS), magnetic fields (MFs) as a kind of surrounding environments of SERS substrates have been not ignored. And enormous attentions for the effect of MFs on SERS are very necessary. Our analysis from previous reports shows SERS signals are closely associated with MFs; yet the study of the exact effect of MFs on SERS is still in need of detail and broadening. In this work, we demonstrate that the use of Ni/Au microparticles (MPs) and Au hollow spheres (HSs) to study the effect of MFs on SERS signals. The experiments are preformed from three aspects, including the comparison of SERS signals of Ni/Au MPs with different Ms values, the comparison of SERS signals of Au HSs and Ni/Au MPs under different external MFs, and the comparison of SERS signals of single Au HS particle and single Ni/Au particle in the absence and presence of an external MF. Thereinto, under different external MFs from 0, 0.01, 0.02, 0.04 to 0.08 T, SERS signals of Au HSs and Ni/Au MPs are gradually weaker. According to the experiments, the weakening effect of MFs on SERS is confirmed. It is suggested that the weakening effect is originated from the blue‐shift of surface plasmon resonance and the locking of charge‐transfer from Au to probe molecules. Copyright © 2012 John Wiley & Sons, Ltd.
Regulatory Control of Energy Drinks Using 1H NMR Spectroscopy
Authors: Wegert K. , Monakhova Y. B. , Kuballa T. , Reusch H. , Winkler G. , Lachenmeier D. W.
Published: December 2012

400 MHz 1H nuclear magnetic resonance (NMR) spectroscopy was used in the context of food surveillance to control the regulatory limits of selected constituents of energy drinks. The preparation of the samples required only degassing, addition of 0.1 % of TSP in D2O for locking and referencing and phosphate buffer (pH 4.0) for chemical shifts adjustment. The quantification of caffeine, glucuronolactone, taurine and inositol was simultaneously possible using external calibration curves and applying TSP as internal standard. The applicability of the method was proven by analysis of 73 samples of energy drinks. The average caffeine concentration was 0.30 g/L, which is below the maximum limit of 0.32 g/L.
Rapid determination of 4‐methylimidazole in caramel colours using 1H NMR spectroscopy
Authors: Monakhova Y. B. , Schlee C. , Kuballa T. , Schneider R. , Lachenmeier D. W.
Published: December 2012

A method utilizing 1H NMR spectroscopy has been developed to measure the concentration of 4‐methylimidazole in caramel colours used as food additive (E150a‐d). For sample preparation, a very simple dilution with water‐ethanol mixture and addition of internal standard is sufficient. 4‐Methylimidazole produces a distinct peak of the methyl group of the molecule in the δ 2.27–2.25 ppm range, where it can be distinguished from other matrix compounds. The method was shown to be of adequate sensitivity with a limit of detection (LOD) of 5.0 mg/L adequate to control the 4‐methylimidazole regulatory limit. The developed method was applied for the analysis of 7 authentic food colourings. Only two products (E150d) contained detectable concentrations of 4‐methylimidazole (662 mg/kg and 401 mg/kg). The NMR method may be used by governmental or industry laboratories for routine control of food colourings.
1H NMR screening of pharmacologically active substances in weight‐loss supplements being sold online
Authors: Monakhova Y. B. , Kuballa T. , Löbell‐Behrends S. , Hengen J. , Maixner S. , Kohl‐Himmelseher M. , Ruge W. , Lachenmeier D. W.
Published: December 2012

Weight‐loss or slimming food supplements may be adulterated with synthetic pharmaceuticals, such as anorectic, anxiolytic and antidepressant compounds, especially when sold over the internet. An NMR screening method to detect these pharmacologically active compounds in slimming products is introduced in this study. As a first step, we gathered NMR‐related information (chemical shifts, multiplicity) both from the scientific literature and own theoretical spectra prediction for 53 substances, which are likely to be illegally present in weight‐loss products. The experimental strategy consists of dissolving the samples in a proper solvent (most commonly ethanol) and manually comparing each observed chemical shift with table values and thus identifying possible adulteration. A compound is considered to be identified if all the compound's resonances were present with correct multiplicity (finally confirmed by J‐resolved 2D spectra). The method has been introduced in routine practise in our institute and we have already detected sibutramine, caffeine and L‐carnitine in slimming products. Furthermore, quantification can be conducted by simple integration of a target resonance in comparison with the internal reference standard (e. g., TSP), or by using standard solutions (when available). We believe that NMR is ideally suited to controlling dietary supplements as it provides qualitative and at least semi‐quantitative information more rapidly (measurement time of about 20 min) than with any other currently available spectroscopic or chromatographic method. Future research regarding the automation of spectral processing and inclusion of non‐targeted analysis is necessary.
Carbohydrates as Additives for the Formation of Isoporous PS‐b‐P4VP Diblock Copolymer Membranes
Authors: Clodt Juliana Isabel , Rangou Sofia , Schröder Anne , Buhr Kristian , Hahn Janina , Jung Adina , Filiz Volkan , Abetz Volker
Published: December 2012

Highly porous polystyrene‐block‐poly(4‐vinylpyridine) (PS‐b‐P4VP) diblock copolymer membranes are prepared using carbohydrates as additives. Therefore α‐cyclodextrine, α‐(D)‐glucose, and saccharose (cane sugar) are tested for the membrane formation of three different PS‐b‐P4VP polymers. The addition of the carbohydrates leads to an increasing viscosity of the membrane solutions due to hydrogen bonding between hydroxyl groups of the carbohydrates and pyridine units of the block copolymer. In all cases, the membranes made from solution with carbohydrates have higher porosity, an improved narrow pore distribution on the surface and a higher water flux as membranes made without carbohydrates with the same polymer, solvent ratio, and polymer concentration.