bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2‐dihaloethanes
Authors: Wong Bryan M. , Fadri Maria M. , Raman Sumathy
Published: July 2007

The thermodynamic properties of three halocarbon molecules relevant in atmospheric and public health applications are presented from ab initio calculations. Our technique makes use of a reaction path‐like Hamiltonian to couple all the vibrational modes to a large‐amplitude torsion for 1,2‐difluoroethane, 1,2‐dichloroethane, and 1,2‐dibromoethane, each of which possesses a heavy asymmetric rotor. Optimized ab initio energies and Hessians were calculated at the CCSD(T) and MP2 levels of theory, respectively. In addition, to investigate the contribution of electronically excited states to thermodynamic properties, several excited singlet and triplet states for each of the halocarbons were computed at the CASSCF/MRCI level. Using the resulting potentials and projected frequencies, the couplings of all the vibrational modes to the large‐amplitude torsion are calculated using the new STAR‐P 2.4.0 software platform that automatically parallelizes our codes with distributed memory via a familiar MATLAB interface. Utilizing the efficient parallelization scheme of STAR‐P, we obtain thermodynamic properties for each of the halocarbons, with temperatures ranging from 298.15 to 1000 K. We propose that the free energies, entropies, and heat capacities obtained from our methods be used to supplement theoretical and experimental values found in current thermodynamic tables. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2008
Modified frames with block size 3
Authors: Cao H. , Wu Y. , Zhou H.
Published: July 2007

A modified (k, λ)‐frame of type gu is a modified (k, λ)‐GDD whose blocks can be partitioned into holey parallel classes, each of which is with respect to some group. Modified frames can be used to construct some other resolvable designs such as resolvable group divisible designs and semiframes. In this article, we shall investigate the existence of modified frames with block size 3. © 2007 Wiley Periodicals, Inc. J Combin Designs 16: 351–363, 2008
Stereoselective hybrid catalysts: new opportunities
Authors: Mihovilovic Marko D
Published: July 2007

The combination of biotransformations and metal‐assisted catalysis within hybrid systems represents a promising strategy to extend the repertoire of reactions enabled in a biomolecular environment. Both covalent catalytic entities and supramolecular assemblies have been created recently to mediate transformations otherwise difficult to perform in ‘classical’ biocatalysis. In this context, various biopolymers can serve as ligand spheres simultaneously acting as chiral inducers. In particular, modular approaches embedding novel metal‐based catalytic centers via an affinity interaction are highly appealing, as this technology may serve as a versatile platform to incorporate diverse reactivities in a biological matrix in a stereoselective fashion. Copyright © 2007 Society of Chemical Industry
Catalytic conversion of waste plastics: focus on waste PVC
Authors: Keane Mark A
Published: July 2007

Effective waste management must address waste reduction, reuse, recovery/recycling and, as the least progressive option, waste treatment. The increase in plastic waste production is a serious environmental issue. Plastics consumption continues to grow and while plastic recycling has seen a significant increase since the early 1990s, consumption still far exceeds recycling. Waste plastic can, however, serve as a potential resource and, with the correct treatment, can be reused or serve as hydrocarbon raw material or as a fuel. PVC, highly versatile with many applications, is non‐biodegradable and has a high Cl content (56% of the total weight). Waste PVC incineration is highly energy demanding and can result in the formation of toxic chloro‐emissions with adverse ecological, environmental and public health impacts. The Cl component must be removed from any waste PVC derived gas or oil before it can be used. An overview of the existing waste plastic treatment technologies is provided with an analysis of the available literature on thermal and catalytic PVC degradation. Thermal degradation results in random scissioning of the polymer chains generating products with varying molecular weights and uncontrolled Cl content. There is a dearth of literature dealing with the catalytic dechlorination of PVC. A case study is presented to illustrate the role heterogeneous catalysis can play in PVC waste treatment. The efficacy of Pd/Al2O3 to promote PVC dechlorination is demonstrated, where a significant decrease (by up to a factor of 560) in the liquid fraction Cl content is recorded in addition to differences (relative to thermal degradation) in the gas phase product, i.e. higher C1C4 content with preferential alkane formation. Copyright © 2007 Society of Chemical Industry
Aerobic biological treatment of waste‐ waters containing dichloromethane
Authors: Moura Sandra C , Jorge Ruben Ferreira , Duque Anouk , Boaventura Rui AR , Castro Paula ML
Published: July 2007

BACKGROUND: Volatilization has been advanced as one of the predominant phenomena contributing to volatile organic carbon emissions from wastewater treatment plants (WWTPs). In this study, strategies for minimizing such air stripping losses when treating a liquid stream containing dichloromethane (DCM), aiming at decreasing the overall emission inventory from WWTPs, were investigated.

RESULTS: System R1, consisting of a continuous flow stirred tank reactor (CSTR) treating a liquid stream containing DCM at a concentration of 12 mmol dm−3 presented a biodegradation efficiency (BE) of 68%, based upon chloride release, with 10% of measurable losses, mainly due to volatilization, and 22% of unmeasurable losses. System R2 introduced operational designs aiming at decreasing DCM volatilization. In Experiment R2.1, a biotrickling filter, through which the air stripped from the CSTR was driven, was introduced leading to a reduction from 10% to 7% on the measurable losses. In Experiment R2.2, the air stripped from the CSTR was recirculated at a flow rate of 2.4 dm3 h−1 through the reactor medium before entering the biotrickling filter. The BE was improved from 69% to 82% and the losses associated with air stripping were successfully reduced to 2%. The proposed design, including air recirculation and the biotrickling filter, increased the ratio between the biodegradation rate and the volatilization rate from 7 to 41.

CONCLUSIONS: Recirculation of the gaseous effluent through the reactor medium, which allowed for higher residence time within the bioreactor, was shown to be a successful strategy for improving the treatment process, thus minimizing DCM volatilization losses. Copyright © 2007 Society of Chemical Industry
Compressibility of gastrointestinal tract tumors during transabdominal sonographic examination: A clue to the diagnosis of gastrointestinal lymphoma
Authors: Fujii Yasutomo , Taniguchi Nobuyuki , Koibuchi Harumi , Yasuda Yoshikazu , Nagai Hideo
Published: July 2007

Purpose

To evaluate the use of sonography in the assessment of compressibility of the affected bowel in the differential diagnosis of gastrointestinal (GI) lymphoma.

Methods

Thirty‐two cases of advanced gastric cancer, 28 cases of advanced colon cancer, 7 cases of gastric lymphoma, and 6 cases of colon lymphoma were included in the study. To assess the compressibility of the affected bowel, a transducer was used to exert external compression. Deformation of the tumor and its lumen by compression was considered to indicate positive compressibility.

Results

Compressibility was absent in advanced gastric and colon cancer but was present in 11/13 (85%) cases of GI lymphoma. In the diagnosis of GI lymphoma, compressibility showed 85% (11/13) sensitivity, 97% (58/60) specificity, and 95% (69/73) overall accuracy.

Conclusion

Compressibility of the affected bowel is a useful clue in the diagnosis of GI lymphoma. © 2007 Wiley Periodicals, Inc. J Clin Ultrasound, 2008
Sonographic evaluation of entheseal sites of the lower extremity in patients undergoing hemodialysis
Authors: Kerimoglu Ulku , Hayran Mutlu , Ergen Fatma Bilge , Kirkpantur Alper , Turgan Cetin
Published: July 2007

Purpose

To evaluate the entheseal sites of the lower extremities in patients on hemodialysis using the Glasgow Ultrasound Enthesitis Scoring System (GUESS) and to correlate the findings with the duration of hemodialysis and patient scores.

Methods

Forty‐nine patients who were on hemodialysis for at least 2 years were grouped according to duration of hemodialysis. Total GUESS scores; total enthesophyte, erosion, and bursitis scores; and tendon thicknesses were calculated, compared between groups, and correlated with duration of dialysis.

Results

There was a statistically significant correlation between duration of hemodialysis and total GUESS score (p < 0.001, r = 0.81) and also between the total enthesophyte and erosion scores (p < 0.001). If severe enthesitis was defined as a total GUESS score of more than 18, receiver operating characteristic (ROC) curve analysis revealed that a cutoff point of 10 years for the duration of hemodialysis would predict severe enthesal damage with 83% sensitivity and 93% specificity (area under the ROC curve, 0.92; 95% confidence interval, 0.83–1.00).

Conclusion

Hemodialysis results in entheseal site changes that worsen with extended duration of hemodialysis, especially after 10 years. © 2007 Wiley Periodicals, Inc. J Clin Ultrasound, 2007
What enables innovation in the private sector? Lessons from the development of salt‐tolerant hybrid rice
Authors: Reece J. David
Published: July 2007

Under what circumstances can a private company succeed in developing new crops? This paper examines the experience of an Indian seed company that sought to use an advanced new technology (molecular breeding) to develop a salt‐tolerant form of hybrid rice. It demonstrates that the company's success was made possible by its effective linkages with national and international institutions, which mean that the company received indispensable inputs to its work; namely DNA sequence data from the global public domain and germplasm from the Indian public sector. Provision of these inputs was not mediated by a market system: indeed, recent changes that tend to make such interactions subject to market forces, notably the commodification of germplasm, have increased transaction costs and been a source of inefficiency. At the same time, the internal characteristics of different parts of the firm meant that (i) a number of technically demanding tasks were successfully completed; but (ii) progress was slower than could reasonably have been expected and (iii) at one point the project suffered a severe setback. These experiences confirm the innovation systems framework and also highlight the critical importance of the internal culture of a firm in determining success or failure in innovation. Interestingly, they also demonstrate that key aspects of organisational culture may vary between different parts of the same company. Copyright © 2007 John Wiley & Sons, Ltd.
The case for accelerating profit‐making at the base of the pyramid: what could and should the donor community be seeking to do, and what results should it expect?
Authors: Fitch Bob , Sorensen Leif
Published: July 2007

Donors increasingly acknowledge that, without the participation of the private sector, achievement of the Millennium Development Goals is unlikely. Up until recently, priority has been given to improving the business enabling environment in developing countries, so as to remove unnecessary impediments to profit‐making activity. Whilst this approach has undoubted merit it does not yet seem to be stimulating change at the pace or scale required. This paper argues that there is now a clear case for directly engaging international business in the poverty reduction agenda. It argues that such efforts will have the greatest development impact where profit‐making is the driving force, and considers how the impact of such initiatives might best be measured. Copyright © 2007 John Wiley & Sons, Ltd.
Trade facilitation, regulatory quality and export performance
Authors: Iwanow Tomasz , Kirkpatrick Colin
Published: July 2007

The objective of this paper is to quantify the potential gains in trade performance from the implementation of trade facilitation reform. The study applies a gravity model augmented with trade facilitation, regulatory quality and infrastructure indicators to assess the impact of trade facilitation and other trade‐related constraints on export performance. Quantitatively, our results suggest that a 10 per cent improvement in trade facilitation would yield an increase in exports of about 5 per cent. Identical percentage improvements in the regulatory environment and in the quality of infrastructure provision would result in increases of 9–11 per cent and 8 per cent, respectively. The results confirm that while trade facilitation can contribute to improved export performance, improvements in the quality of the regulatory environment and the basic transport and communications infrastructure are equally or more important, in facilitating export growth. The conclusion is that trade facilitation alone is unlikely to result in a significant improvement in export performance. Copyright © 2007 John Wiley & Sons, Ltd.
Training to address attitudes and behaviour of rural bank managers in Madhya Pradesh, India: a programme to facilitate financial inclusion
Authors: Jones J. Howard M. , Williams Marylin , Nilsson Esse , Thorat Yashwant
Published: July 2007

Given their physical presence in India, banks are arguably well‐placed to improve financial inclusion in rural areas. However, uncertain repayment capacities and high transaction costs mean formal financial institutions are often reluctant to lend to the rural poor. Conversely, high transaction costs in dealing with banks are also incurred by clients, through, for example, lengthy, cumbersome and potentially ignominious procedures. Negative attitudes towards poor clients can be an important component of such transaction costs. An applied research project funded by the Enterprise Development Innovation Fund (EDIF‐DFID) developed an innovative training programme designed to encourage more positive attitudes of bank staff towards poor clients, and towards their own role in rural poverty alleviation and development. This paper examines the development of the training programme, its implementation, and the results of its evaluation. It is shown that training can bring about attitudinal change, which in turn is reflected in behaviour and social impact. Copyright © 2007 John Wiley & Sons, Ltd.
ICT assimilation and SME expansion
Authors: Matthews Paul
Published: July 2007

Information and communication technology (ICT) is acknowledged to play an important role in the growth of enterprises by contributing directly to profitability and by providing foundations for the evolution of operations from a micro to a medium level. A number of factors play a role in the successful deployment of ICT for growth and these form a complex system encompassing environmental, technical and human factors. This paper discusses the key variables and challenges facing organisations in harnessing ICT for growth, as evidenced in the literature and through a survey of small and medium sized enterprises (SMEs). Some of the key system dynamics are proposed. The impact and shortfall of expansion‐friendly ICT policies are presented and indicate a need for more general support to the sector to accompany government subsidies. Copyright © 2007 John Wiley & Sons, Ltd.
Enterprise development in Zambia: reflections on the missing middle
Authors: Phillips Christine , Bhatia‐Panthaki Seema
Published: July 2007

This paper is the result of the analysis of 200 interviews with Zambian enterprise owners during the summer of 2006. It examines the reasons for the lack of growth of micro and small firms and the resulting ‘missing middle’ in Zambia. The study finds that most enterprise owners are risk takers, have bounded rationality in terms of their understanding of market structure, conduct and performance and rely on inappropriate channels for their information. A second group of enterprise owners who are less risk preferring, and do not have aspirations in terms of firm growth is also identified. Most enterprises in these two groups do not operate on a growth trajectory. Finally there is a very small group of enterprise owners who are truly entrepreneurial. Policy recommendations address issues concerning the need for differentiated targeting to support firm sustainability and growth. Copyright © 2007 John Wiley & Sons, Ltd.
From policy to practice: changing government attitudes towards the private sector in Malawi
Authors: Record Richard
Published: July 2007

This paper reviews relations between government and the private sector in Malawi from independence to the present. The analysis charts the changing emphasis that official policy has attached to the role of the private sector throughout the transition from dictatorship to democracy; and from a PRSP that effectively ignored the role of the private sector in national development, to the current more balanced approach that recognises the private sector as the ‘engine of economic growth’ and the best means of achieving poverty reduction. However, in spite of progress, Malawi's private sector remains fragile and while the rhetoric from the highest levels of government towards the private sector has evolved, the enabling environment for private sector development is still inhospitable. Copyright © 2007 John Wiley & Sons, Ltd.
Options for private sector involvement in rural water supply provision in Pakistan
Authors: Tayler William Kevin
Published: July 2007

Rural water supply services in Pakistan are funded by government and should, in theory, be managed by communities but community management is often ineffective. Operators often assume management responsibilities, collecting tariffs and paying bills and in effect acting as informal contractors. The paper examines the potential for improving water supply services through more formal forms of private sector involvement in service provision. It concludes that localised forms of private sector involvement are possible but will be dependent on action to develop private sector capacity, implement effective oversight arrangements and provide support to oversight bodies and private sector operators. Possible arrangements for managing services and providing oversight and support are discussed. Copyright © 2007 John Wiley & Sons, Ltd.
The role of food standards in international trade: evidence from Brazilian beef exports to the EU market
Authors: Vieira Luciana Marques , Traill W. Bruce
Published: July 2007

The study reviews the literature on global chain governance and food standards to allow for an assessment of Brazilian beef exports to the European Union. The empirical approach employed is based on company case studies. The results suggest that the Brazilian beef chain has little choice but to adapt to market changes as standards evolve. Costs of compliance for meeting international food standards reduce Brazil's comparative advantage. At the same time, changes in the nature of demand have created the need for a more integrated supply chain in order to enhance confidence in Brazil's beef production and processing abroad. Copyright © 2007 John Wiley & Sons, Ltd.
Economic growth and the environment in Transitional China—an old topic with new perspectives
Authors: Zhang Dongyong , Kambhampati Uma , Morse Stephen
Published: July 2007

Following experience elsewhere in the world, China has pinned its hopes for development on industrialisation and China's economy has grown exceptionally fast in the last two decades. But many unintended environmental consequences have been recognised. This paper asks whether there really is a trade‐off between economic and environmental performance. This is considered in the context of China's macroeconomic performance as well as in the case study of a Chinese state‐owned enterprise (SOE) (Zhengzhou Abrasive Company (ZZAC)). The feature of the paper is that stakeholders' perceptions of the trade‐off were considered. Our results indicate that the low economic performance of ZZAC to some extent resulted in its improved environmental performance. However, other factors like investment in pollution abatement, which is also influenced by the economic performance, have had a positive impact. Furthermore, ZZAC is found to have increased its labour productivity level, but is retreating from social commitments. Finally, our results clearly indicate that the characteristics of the stakeholders, as well as their positions in the local economy, make a significant difference to their perception of trade‐offs between economic growth and the environment, which will finally affect environmental policy making in China. Copyright © 2007 John Wiley & Sons, Ltd.
The private sector, poverty reduction and international development
Authors: Garforth Chris , Phillips Chris , Bhatia‐Panthaki Seema
Published: July 2007

The private sector, after shifting fortunes in development theory and practice over the years, is now widely recognised as the key to economic growth, which itself is indispensable for poverty reduction. The Development Studies Association (DSA) Annual Conference in 2006 brought together academics, private sector actors, NGOs and policy makers to share insights and experiences on how this vital contribution to growth, development and poverty reduction can be realised. This paper summarises the main themes and discussions of the conference and introduces the papers selected for inclusion in this conference issue. Copyright © 2007 John Wiley & Sons, Ltd.
Synthesis of sulfur‐35 reagents for protein labeling
Authors: Ren Sumei , McNamara Paul , Koharski David , Hesk David , Borges Scott
Published: July 2007

Two 35S reagents were developed to radiolabel proteins. The first reagent, a N‐hydroxysuccinimide (NHS) ester (SMSB), acylates the ε‐amino group of lysine residues in proteins. The second reagent, an aldehyde (MSAPPA), labels lysine residues via reductive alkylation. Comparing the two methods, the reductive alkylation method labeled proteins over a broader pH range with higher overall radiochemical yield. The biological activity of the proteins did not change after labeling with these 35S reagents. Copyright © 2007 John Wiley & Sons, Ltd.
Protein supplementation on onset of post‐partum ovarian cyclicity of dairy cows: an isotopic immunoassay study
Authors: Khan Mohammed A. S.
Published: July 2007

Protein is the main nutritional constraint on livestock development in Bangladesh. With this idea in mind, a study was conducted to evaluate the effect of (pulse) concentrate supplementation of protein mixture on the post‐partum onset of ovarian cyclicity using an isotopic immunoassay technique. Other relevant parameters were also studied. It was concluded that the protein concentrate supplementation could have produced better weight gain, milk yield and reproductive performance of cows. Copyright © 2007 John Wiley & Sons, Ltd.
Synthesis of four isotopically labeled forms of a proteasome inhibitor, bortezomib
Authors: Li Yuexian , Plesescu Mihaela , Sheehan Patrick , Scott Daniels J. , Prakash Shimoga R.
Published: July 2007

[D2](1R)‐3‐methyl‐1‐[[(2S)‐1‐oxo‐3‐phenyl‐2‐[(pyrazinylcarbonyl)amino]propyl]‐amino]butyl] boronic acid ([D2]bortezomib), a proteasome inhibitor, was synthesized in 11 steps from isobutyryl chloride. Key steps in the synthesis included formation of the isobutyryl boronic acid via Grignard reaction and preparation of the chiral chloride using Matteson reaction. [13C9]bortezomib, [D5]bortezomib, and [D1]bortezomib were similarly synthesized from appropriate labeled precursors. Copyright © 2007 John Wiley & Sons, Ltd.
Convenient and efficient tritiation of aristolochic acid I (AAI) and aristolochic acid II (AAII) with tritiated water
Authors: Ray Tapan , Wu Amy , Allentoff Alban J.
Published: July 2007

Iridium‐catalysed isotope exchange with tritiated water is an efficient way to introduce tritium into polar molecules. The method is feasible for compounds containing a nitro group.It has been confirmed through our experiment that using excess tritiated water, the H/T exchange can be quantitative. Copyright © 2007 John Wiley & Sons, Ltd.
Diaryliodonium salts: a solution to 3‐[18F]fluoropyridine
Authors: Carroll Michael A. , Nairne James , Woodcraft John L.
Published: July 2007

Fluorine‐18 labelled fluoropyridines have found increasing application in the medical imaging technique of Positron Emission Tomography. The fluorine‐18 has largely been restricted to the 2‐ and 6‐position where its introduction may be readily achieved, from a range of appropriate precursors, by nucleophilic aromatic substitution using [18F]fluoride. However, fluorine at this position may be labile in vivo limiting the potential of the radiotracer. To date the more stable 3‐fluoro and 5‐fluoropyridines have not been exploited due to unsuitable methods of preparation. Pyridyliodonium salts provide a convenient way to overcome this restriction and allow the introduction of fluorine‐18, as fluoride, into the 3‐ or 5‐position. Copyright © 2007 John Wiley & Sons, Ltd.
Imaging hypoxia in vivo by controlling the electrochemistry of copper radionuclide complexes
Authors: Blower Philip J. , Went Michael J. , Martin Kath E. , Smith Gareth E.
Published: July 2007

Tissue hypoxia is a feature of cancer, heart disease and stroke, and imaging it may become clinically important. Copper‐ATSM (ATSMH2 = 2,3‐butanedione bis(N‐methyl)thiosemicarb‐azone), labelled with 60Cu, 62Cu or 64Cu, is selectively taken up in hypoxic cells in vitro and in vivo by a bioreductive mechanism, and is a prototype hypoxia imaging agent amenable to improvement. In vitro studies with several differently alkylated analogues of CuATSM show that hypoxia selectivity is a general property of complexes with two alkyl groups at the diketone backbone, offering a range of pharmacokinetic properties while retaining hypoxia selectivity. This pharmacokinetic control affords a route to development of second‐generation hypoxia imaging agents with optimized properties for different clinical applications. Combinatorial synthesis of these analogues, including asymmetric ones, is possible by combining several diketones with several thiosemicarbazides and separating the products chromatographically. Copyright © 2007 John Wiley & Sons, Ltd.
Methods for the synthesis of carbon‐13 labelled acids and esters
Authors: Jordan Angela C. , Axford Lorraine C. , Harding John R. , O'Connell Yvonne , Simpson Thomas J. , Willis Christine L.
Published: July 2007

Syntheses of isotopically labelled putative biosynthetic intermediates to the natural products monocerin 1, hectochlorin 2 and strobilurin A 3 are described. For the preparation of [9,10‐13C2]dihydroisocoumarin 10, a stereoselective aldol condensation of 13C2‐acetylated chiral auxiliary 5 was used to assemble the labelled C9‐C14 fragment. The preferred approaches to the syntheses of [1,2‐13C2]5,5‐dichlorohexanoic acid 15 and the N‐acetylcysteamine derivative of [1,2‐13C2]cinnamic acid 19 involved a Horner‐Wadsworth‐Emmons chain extension and Knoevenagel reaction, respectively. Copyright © 2007 John Wiley & Sons, Ltd.
IAEA activities in support of production and utilization of radioisotope labelled compounds
Authors: Ramamoorthy Natesan , Pillai Maroor Raghavan Ambikalmajan , Jin Joon‐Ha , Haji‐Saeid Seyed Mohammad
Published: July 2007

The development of a large variety of radioisotope labelled compounds as well as the ability to design and prepare specific products forms the basis for several important applications in medicine, industry and research. As a part of the IAEA's role in fostering the peaceful uses of nuclear science and technology, the IAEA's Division of Physical and Chemical Sciences has focused attention on the important classes of compounds such as, fluorine‐18 products; technetium‐99m labelled complexes; products for radionuclide therapy of yttrium‐90, samarium‐153, lutetium‐177 and rhenium‐186/188; industrial radiotracers based on bromine‐82 labelled compounds, tritiated water and carbon‐14 labelled thiocyanate. A number of coordinated research projects (CRP) and technical cooperation projects have been implemented for this purpose. Thematic technical and consultancy meetings have been held to review the status and prepare technical documents on specific topics of interest for developing Member States (MS). These measures have contributed to several developing MS acquiring/enhancing expertise in building local facilities and capability in the production and utilization of radioisotope labelled compounds. Copyright © 2007 John Wiley & Sons, Ltd.
H/D‐exchange reactions with hydride‐activated catalysts
Authors: Derdau Volker , Atzrodt Jens , Holla Wolfgang
Published: July 2007

A safe, user friendly and efficient method to provide high deuterium incorporation into a variety of organic substrates was developed. Systematic screening of catalysts and activators revealed that the activation of the Pd‐ or Rh‐catalyst by NaBD4 is essential for the H/D exchange. The feasibility has been demonstrated by the successful application of this method to bi‐ and tricyclic aromatic compounds as well as chiral natural products like dextrorphan or drugs like formoterol. Copyright © 2007 John Wiley & Sons, Ltd.
Formulation of sodium iodide (Na 123I) oral capsule
Authors: Sattari A. , Kamali Moghadam K. , Mirzaee M. , Aslani A. , Shadanpour N. , Yusefi K. , Bahrami A.
Published: July 2007

Sodium iodide‐123 (Na123I) is well known as a radioisotope that is used for studies of the thyroid and its metastases. 123I was produced from the reaction of 28 Mev protons with 99.99% enriched 124Xe by cyclotron. A home made target was installed and used for this purpose. The main part of the target contained target vessel, target windows and cooling system. In addition, some other part such as a cold finger, decay vessel, vacuum pump and four fingers were also designed and installed on the system. After bombardment, the production of 123I from 123Cs, the target was left for 6 hours and then rinsed with distilled water. A clear and colourless solution containing 123I was pumped to the hot cell. For adjusting the pH, sodium citrate buffer was used. The solution was added directly to the capsules which were already filled with inert powder. Each capsule contained 210 µCi Na123I. Quality control has shown 98% radiochemical and 99.96% radionuclide purity, with the yield of 2 mCi/µA. Quality control results had good accordance with the United States Pharmacopoeia. Copyright © 2007 John Wiley & Sons, Ltd.
The synthesis of isotopically labelled glucosinolates for analysis and metabolic studies
Authors: Botting Nigel P. , Robertson Avril A. B. , Morrison John J.
Published: July 2007

Glucosinolates are dietary natural products with important cancer chemoprevention properties. The syntheses of a number of stable isotopically labelled (2H, 13C) glucosinolates, and their desulfo‐analogues, are described. These compounds are used as internal standards for analysis and for metabolic studies. Copyright © 2007 John Wiley & Sons, Ltd.
The design of radiolabeled carbon‐14 polymers
Authors: Shemilt Gary , Newby Mark , Kitson Sean L.
Published: July 2007

This paper outlines three methods for the incorporation of carbon‐14 radiolabels into polymers. The first method discussed used the radiolabeled starting material, [1,6‐14C]hexamethylenediamine 2. The reaction of 2 with sodium dicyanamide led to a carbon‐14 polybiguanide 3 with a wide molecular weight distribution. An improvement to this reaction was to react 2 with biguanide. This produced 3 with a tighter molecular weight distribution. Modification of side chains in polymers provides a facile route to incorporate carbon‐14 labels. This is illustrated in the formation of [14C]carboxymethyl cellulose 6 which resulted in near perfect molecular weight distribution. Another method to incorporate carbon‐14 into polymers was the reaction between the sodium salt of polyethylene glycols (PEGs) with [U‐14C] ethylene oxide. This resulted in oligomer formation and random labeling in the polymer. This was circumvented by synthesizing carbon‐14 PEG esters from the reaction of carbon‐14 labeled 2‐bromoethyl esters with PEG. This method retained the polydispersity ratio on the reduction of the ester to release the carbon‐14 labeled PEG. Copyright © 2007 John Wiley & Sons, Ltd.
Stable isotopic labelling of heterocyclic compounds
Authors: Burton Andrew J. , Wadsworth Alan H.
Published: July 2007

Stable isotopically labelled (SIL) versions of Glimepiride 1 (10 steps, 11% overall yield), a blood glucose lowering drug, and Melagatran 13 (9 steps, 17% overall yield), an anticoagulant with similar uses to warfarin, were synthesized as internal standards for LCMS assays. Modifications of known routes (Weyer et al., US Patent 4379785, Hocchst, 1983; Antonsson et al., PCT International Application W09429336, 1994) to these compounds are examples of the introduction of stable isotopes via heterocyclic intermediates. Copyright © 2007 John Wiley & Sons, Ltd.
New approaches for the synthesis of isotopically labelled guanidine‐derived amino acids and noradrenaline reuptake inhibitors
Authors: Bischoff Roland , Hamilton Deborah J. , Jobson Nicola K. , Sutherland Andrew
Published: July 2007

A new approach for the stereoselective synthesis of guanidine‐derived amino acids, L‐arginine and (+)‐blastidic acid, has been devised which allows the selective incorporation of isotopic labels in both the side chain of the amino acid as well as the guanidine unit. A new asymmetric synthesis of the (S,R)‐diastereomer of reboxetine, an antidepressant, has also been completed which allows the specific incorporation of radiolabelled iodine for SPECT imaging. Copyright © 2007 John Wiley & Sons, Ltd.
Radiation protection of man and the environment
Authors: Pentreath R. J.
Published: July 2007

Radiological protection has traditionally been concerned with the protection of human beings, but it is now recognized that this approach has to be complemented by a measured concern for the protection of the environment as a whole. This broader synthesis brings with it both new challenges and opportunities, some aspects of which are briefly discussed. Copyright © 2007 John Wiley & Sons, Ltd.
Synthesis of [14C6‐3,4,7,8,11,12]‐(1E,5E,9E)‐cyclododeca‐1,5,9‐triene
Authors: Diel Bruce N. , Han Mingcheng , White Jonathan M.
Published: July 2007

Trimerization of butadiene in the presence of Ni(0) affords (1E,5E,9E)‐cyclododeca‐1,5,9‐triene 1 (ttt‐CDT), (1E,5E,9Z)‐cyclododeca‐1,5,9‐triene 2 (ttc‐CDT), and other isomers/oligomers. After optimization of reaction conditions, [14C6‐3,4,7,8,11,12]‐ttt‐CDT 1 was synthesized efficiently either by homogenous or heterogeneous Ni(0) catalytic trimerization of [1,4‐14C2]butadiene 10, in 60–82% yield. Depending on the exact reaction conditions employed, the yields and ratio of 1/2 ranged from (59–90%) / (41–10%). The all‐trans isomer was conveniently isolated via Ag+‐mediated reversed‐phase HPLC. The important intermediate [1,4‐14C2]‐1,3‐butadiene 10 was prepared from potassium [14C]cyanide and 1,2‐dibromoethane 3 as starting materials, in seven steps with a 57% yield. The total radioactive yield of [14C6‐3,4,7,8,11,12]‐ttt‐CDT 1 is 30% from [14C]KCN. Copyright © 2007 John Wiley & Sons, Ltd.
Radiotracers for a multi‐target approach to the diagnosis of Alzheimer's disease
Authors: Mukherjee Jogeshwar , Head Elizabeth , Pichika Rama , Easwaramoorthy Balasubramaniam , Collins Daphne , Chen Ines , Wang Crystal S. , Saigal Neil , Trinidad Portia , Kim Kathy , Nguyen Vivien L.
Published: July 2007

Development of β‐amyloid plaques and neurofibrillary tangles is the hallmark of Alzheimer's disease (AD) and progressively affects the overall functioning of the brain. Noninvasive imaging methods aiding early diagnosis will significantly improve benefits provided by treatments and possibly lead to prevention of AD. We report the development of PET radiotracer methods for β‐amyloid plaques and tangles, nicotinic α4β2 receptors, serotonin 5HT1A receptors, dopamine D2/D3 receptors and norepinephrine transporters for the study of AD. This multi‐target approach is currently being evaluated in AD transgenic mice models. Copyright © 2007 John Wiley & Sons, Ltd.
Imaging the proliferative status of tumors with PET
Authors: Mach Robert H. , Wheeler Kenneth T.
Published: July 2007

The development of radiotracers for imaging solid tumors has recently focused on measuring a tumor's proliferative status. Two different strategies have emerged: (1) radiolabeled DNA precursors that measure DNA synthesis; and (2) radiotracers that label the sigma‐2 receptor, a putative biomarker of proliferation. This paper provides a brief description of these two different methods of imaging tumor proliferation that are currently being developed in the field of positron emission tomography (PET). Copyright © 2007 John Wiley & Sons, Ltd.
Mechanism of the Bischler–Napieralski exocyclic and endocyclic dehydration products in the radiosynthesis of (R)‐(‐)‐[6a‐14C]apomorphine
Authors: Kitson Sean L.
Published: July 2007

This paper will outline the mechanism of the Bischler–Napieralski cyclodehydration for the radiosynthesis of (R)‐(‐)‐[6a‐14C]apomorphine 1. The carbon‐14 radiosynthesis of (R)‐(‐)‐[6a‐14C]apomorphine was first reported by Kitson and Knagg in May 2006. The Bischler–Napieralski cyclodehydration of 3,4‐dimethoxy‐2‐nitrophenyl‐N‐phenethyl[carboxyl‐14C]acetamide 5 was initiated using a mixture of P2O5/POCl3 in refluxing toluene. This generated the endocyclic dehydration product 1‐(3,4‐dimethoxy‐2‐nitrobenzyl)dihydro[1‐14C]isoquinoline 4. The Bischler–Napieralski endocyclic dehydration by‐product was identified from 1H NMR and MS to be 3‐(6,7‐dimethoxyanthranil)‐dihydro[1‐14C]isoquinoline 7. The action of POCl3 in acetonitrile on 3,4‐dimethoxy‐2‐nitrophenyl‐N‐phenethyl[carboxyl‐14C]acetamide 5 gave exclusively the exocyclic dehydration product 1‐(3,4‐dimethoxy‐2‐nitrobenzal)‐1,2,3,4‐tetrahydro[1‐14C]isoquinoline 8. Copyright © 2007 John Wiley & Sons, Ltd.
Cu(I)Br‐mediated preparation of 14C‐labeled 3‐pyridineacetate derivatives and synthesis of a novel 14C‐labeled PDE‐IV inhibitor
Authors: Ho Jonathan Z. , Braun Matthew P.
Published: July 2007

An efficient protocol for the synthesis of 14C‐labeled 3‐pyridineacetate (1) and its N‐oxide ([14C]2) is described. Oxidation of this pyridine ([14C]1) to its N‐oxide ([14C]2) proceeded in high yield using H2O2 with MeReO3 as a catalyst. The reaction employs readily available diethyl [2‐14C]malonate. This method has proven to be general in preparation of other pyridineacetate derivatives and their N‐oxides which have been typically difficult to prepare by other means. Our development of the Cu(I)Br‐coupling methodology as well as application to the synthesis of a 14C‐labeled phosphodiesterase‐IV (PDE‐IV) inhibitor, [14C]3, are also reported. Copyright © 2007 John Wiley & Sons, Ltd.
Synthesis of aryl [35S]sulfones: Friedel–Crafts sulfonylation of aryl ethers with high specific activity [35S]methanesulfonyl chloride
Authors: Wallace Michael A. , Raab Conrad , Dean Dennis , Melillo David
Published: July 2007

Lewis acid‐assisted sulfonylation of anisole with [35S]methanesulfonyl chloride afforded high specific activity aryl [35S]sulfones. Demethylation and treatment with triflic anhydride gave the versatile [35S]triflate 1 in good overall yields. The [35S]sulfone triflate could be further functionalized by catalyzed aminations, Stille couplings, and cyanation. Copyright © 2007 John Wiley & Sons, Ltd.
Synthesis of isotopically labelled amino acids
Authors: Rees David O. , Bushby Nick , Harding John R. , Song Chuanjun , Willis Christine L.
Published: July 2007

An efficient approach to the enantioselective synthesis of a series of amino acids from either bromoacetyl bromide or glycine is described using a [2,3]‐sigmatropic rearrangement to establish the stereogenic centre at C‐2 under mild conditions. Protected allylglycine 5 is a valuable building block to several amino acids e.g. hydrolytic cleavage of the auxiliary in 5 followed by deprotection gave L‐allylglycine in 92% yield whilst oxidative cleavage of the terminal alkene followed by deprotection gave L‐aspartic acid in 67% yield over the 2 steps. Furthermore alkene 5 may be converted to hydroxy ester 8 which is an intermediate for the synthesis of various amino acids including L‐lysine and L‐proline. Since the enantiomer of sultam 1 is commercially available, the analogous D‐amino acids may be synthesised. This chemistry is readily adapted for the incorporation of isotopic labels for example for the synthesis of [1,2‐13C2,15N]‐L‐homoserine 14. Copyright © 2007 John Wiley & Sons, Ltd.
Improved analysis of tritiated samples via a 3H‐NMR cryo‐probe
Authors: Alexakis Efstathios , Bloxsidge James P. , Jones John R. , Lockley William J. S.
Published: July 2007

Tritium (3H) NMR spectra of a number of compounds prepared via metal‐catalyzed H/T reduction/exchange of unsaturated hydrocarbons are presented. These show the considerable benefits that emerge from using a tritium cryo‐probe. Copyright © 2007 John Wiley & Sons, Ltd.
Radiolabelled compounds production programme in India
Authors: Jayachandran Narath , Unny V. K. P. , Sivaprasad N.
Published: July 2007

The paper highlights our experience of more than four decades of research gained and expertise attained in the production of various radiolabelled compounds. An active programme for the production of various classes of compounds labelled with radioisotopes like 14C, 3H, 35S, 32P, 33P and 125I by well‐standardized procedures is going on in the country. Recent trends show an increasing demand for the custom‐synthesis of various labelled compounds, especially those labelled with 14C. Copyright © 2007 John Wiley & Sons, Ltd.
Scrambling versus specific processes in gaseous organic ions during mass spectrometric fragmentation: elucidation of mechanistic origins by isotope labelling – an overview
Authors: Kuck Dietmar
Published: July 2007

The use of isotope labelling for the elucidation of mass spectrometric fragmentation mechanisms is demonstrated in various cases of different nature. The intermediacy of ion/neutral (I/N) complexes during fragmentation, being both analytically and fundamentally relevant, is discussed and studies on the regiospecific and irreversible intracomplex hydride transfer reactions within ‘designed’ deuterium‐labelled I/N complexes are reported. By contrast, several types of scrambling processes, being due to reversible isomerization reactions prior to mass spectrometric fragmentation, are presented, exemplifying complete and incomplete, progressive and composite scrambling in gaseous organic ions. Copyright © 2007 John Wiley & Sons, Ltd.
Chiral superbases: the proton affinities of 1‐ and 2‐aza[6]helicene in the gas phase
Authors: Roithová Jana , Schröder Detlef , Míšek Jiří , Stará Irena G. , Starý Ivo
Published: July 2007

The proton affinities (PAs) of 1‐ and 2‐azahelicene were determined using various mass spectrometric techniques and complementary results from density functional theory. With PAs of about 1000 kJ mol−1, the helical backbone of both compounds offer promising perspectives for future research on enantioselective reactions of these helical nitrogen bases. Copyright © 2007 John Wiley & Sons, Ltd.
Nordihydroguaiaretic acid induces astroglial death via glutathione depletion
Authors: Im Joo‐Young , Han Pyung‐Lim
Published: July 2007

Nordihydroguaiaretic acid (NDGA) is known to cause cell death in certain cell types that is independent of its activity as a lipoxygenase inhibitor; however, the underlying mechanisms are not fully understood. In the present study, we examined the cellular responses of cultured primary astroglia to NDGA treatment. Continuous treatment of primary astroglia with 30 μM NDGA caused >85% cell death within 24 hr. Cotreatment with the lipoxygenase products 5‐HETE, 12‐HETE, and 15‐HETE did not override the cytotoxic effects of NDGA. In assays employing the mitochondrial membrane potential‐sensitive dye JC‐1, NDGA was found to induce a rapid and almost complete loss of mitochondrial membrane potential. However, the mitochondrial permeability transition pore inhibitors cyclosporin A and bongkrekic acid did not block NDGA‐induced astroglial death. We found that treatment with N‐acetyl cysteine (NAC), glutathione (GSH), and GSH ethyl ester (GSH‐EE) did inhibit NDGA‐induced astroglial death. Consistently, NDGA‐induced astroglial death proceeded in parallel with intracellular GSH depletion. Pretreatment with GSH‐EE and NAC did not block NDGA‐induced mitochondrial membrane potential loss, and there was no evidence that reactive oxygen species (ROS) production was involved in NDGA‐induced astroglial death. Together, these results suggest that NDGA‐induced astroglial death occurs via a mechanism that involves GSH depletion independent of lipoxygenase activity inhibition and ROS stress. © 2007 Wiley‐Liss, Inc.
Phosphorylation‐dependent dimerization and subcellular localization of islet‐brain 1/c‐Jun N‐terminal kinase‐interacting protein 1
Authors: Borsello T. , Centeno C. , Riederer I.M. , Haefliger J.‐A. , Riederer B.M.
Published: July 2007

Islet‐brain 1 [IB1; also termed c‐Jun N‐terminal kinase (JNK)‐interacting protein 1 (JIP‐1] is involved in the apoptotic signaling cascade of JNK and functions as a scaffold protein. It organizes several MAP kinases and the microtubule‐transport motor protein kinesin and relates to other signal‐transducing molecules such as the amyloid precursor protein. Here we have identified IB1/JIP‐1 using different antibodies that reacted with either a monomeric or a dimeric form of IB1/JIP‐1. By immunoelectron microscopy, differences in the subcellular localization were observed. The monomeric form was found in the cytoplasmic compartment and is associated with the cytoskeleton and with membranes, whereas the dimeric form was found in addition in nuclei. After treatment of mouse brain homogenates with alkaline phosphatase, the dimeric form disappeared and the monomeric form decreased its molecular weight, suggesting that an IB1/JIP‐1 dimerization is phosphorylation dependent and that IB1 exists in several phospho‐ forms. N‐methyl‐D‐aspartate receptor activation induced a dephosphorylation of IB1/JIP‐1 in primary cultures of cortical neurons and reduced homodimerization. In conclusion, these data suggest that IB1/JIP‐1 monomers and dimers may differ in compartmental localization and thus function as a scaffold protein of the JNK signaling cascade in the cytoplasm or as a transcription factor in nuclei. © 2007 Wiley‐Liss, Inc.
Metabotropic glutamate receptors: Phosphorylation and receptor signaling
Authors: Kim Chul Hoon , Lee Jinu , Lee Jae‐Youn , Roche Katherine W.
Published: July 2007

Metabotropic glutamate receptors (mGluRs) play important roles in neurotransmission, neuronal development, synaptic plasticity, and neurological disorders. Recent studies have revealed a sophisticated interplay between mGluRs and protein kinases: activation of mGluRs regulates the activity of a number of kinases, and direct phosphorylation of mGluRs affects receptor signaling, trafficking, and desensitization. Here we review the emerging literature on mGluR phosphorylation, signaling, and synaptic function. © 2007 Wiley‐Liss, Inc.
ECONOS in the epoch of CARS renaissance
Authors: Zheltikov A. M. , Radi P. P.
Published: July 2007

The fifth European Conference on Nonlinear Optical Spectroscopy (ECONOS), continuing a long‐standing tradition of European CARS Workshops (ECWs), was held in Smolenice, Slovakia, in April 2006. This special issue includes 15 contributions from ECONOS authors, giving a flavor of the most interesting topics covered by ECONOS'2006. Copyright © 2007 John Wiley & Sons, Ltd.