bluuebunny/crossref_metadata_2025 huggingface dataset:
Defining the protein repertoire of microneme secretory organelles in the apicomplexan parasite Eimeria tenella
Authors: Bromley Elizabeth , Leeds Nicola , Clark Julie , McGregor Emma , Ward Malcolm , Dunn Michael J. , Tomley Fiona
Published: August 2003

The apicomplexan pathogen Eimeria causes coccidiosis, an intestinal disease of chickens, which has a major welfare and economic impact on the poultry industry. There is an urgent need to identify molecules that are rational targets for drug design and novel vaccines against coccidiosis. Apicomplexan secretory organelles, including micronemes and rhoptries, are essential for invasion of the host intestinal epithelium and establishment of parasitism. However, relatively little is known about the precise molecular function of these organelles, partly because few organelle proteins have been characterized. In this study, proteomics tools have been harnessed to define the protein repertoire of micronemes. Purified microneme proteins from Eimeria tenella sporozoites were excised from two‐dimensional (2‐D) gels and analyzed using matrix‐assisted laser desorption/ionization‐time of flight‐mass spectrometry (MALDI‐TOF‐MS) and chemically assisted fragmentation (CAF)‐MALDI with de novo sequencing. Peptide mass profiles were searched against the NCBI non‐redundant (nr) database and against Eimeria‐specific databases using the Mascot search algorithm, resulting in the identification of 37 of 96 spots excised from the 2‐D gels. In addition, we have found CAF‐MALDI to be a useful adjunct for identifying proteins, without the need for tandem MS. This global approach to protein characterization will be vital to gain greater understanding of the processes involved in apicomplexan host cell invasion.
Ethical and regulatory issues arising from proteomic research and technology
Authors: Reymond Marc A. , Steinert Ralf , Eder Frank , Lippert Hans
Published: August 2003

Over the last two decades, medical research has begun to make extensive use of products of human origin in therapeutics, oncology, and most recently, in genetic diseases. This has raised many ethical issues involving patient rights, including issues of consent. Besides informed consent, researchers should address several topics when designing studies using human tissues. Reward for the patient should be kept minimal. Sample transfer should be organized along non‐profit lines, at least in Europe. Sampling procedures should be at no risk for human volunteers, and at minimal risk for patients. Biosafety aspects should be addressed, in particular when international collaborations are intended or when collaboration is existing between academia and industry. Regulations on importation and exportation of human tissues should be observed. Data acquisition and storage should be addressed in accordance with national data protection regulations, in particular when using computerized databases. If follow‐up information is to be taken, the authorization for such information should be requested. The right for patient’s information (or for no information) on the research results should also be addressed. The issues of validation and patenting should be also solved, usually by informing the patient that he/she will have no commercial rights on potential research results. The patient should be told if the samples are transferred to another research laboratory or private company. Samples and related data should be destroyed on request at any time point during the course of the study. If possible, traceability of the donor should be ensured.
High resolution proteome analysis of cryoglobulins using Fourier transform‐ion cyclotron resonance mass spectrometry
Authors: Damoc Eugen , Youhnovski Nikolay , Crettaz David , Tissot Jean‐Daniel , Przybylski Michael
Published: August 2003

Cryoglobulins are cold‐precipitable serum immunoglobulins associated with a number of infectious, autoimmune and neoplastic disorders such as hepatitis C, Waldenström's macroglobulinemia, multiple myeloma, chronic lymphocytic leukemia, and rheumatoid arthritis. The mechanism(s) of cryoprecipitation has remained obscure hitherto, which has prompted recent intensive efforts on the identification of cryoglobulin components. In the present study, two‐dimensional gel electrophoresis (2‐DE) combined with high resolution Fourier transform‐ion cyclotron resonance (FT‐ICR) mass spectrometry has been applied as a powerful approach for the analysis of cryoglobulins. While FT‐ICR mass spectrometry has been shown to enable the high resolution identification and structure analysis of biopolymers using both electrospray (ESI) and matrix‐assisted laser desorption ionization (MALDI), the recently developed MALDI‐FT‐ICR source is shown here to provide high (sub‐ppm) mass determination accuracy and isotopic fine structure as particular advantages in the identification of proteins. The main protein components in a serum cryoprecipitate from a patient with hepatitis C virus (HCV) infection and presenting type II cryogobulinemia are immunoglobulin (Ig)M and IgG which were identified by MALDI‐FT‐ICR MS analysis after separation by 2‐DE as μ‐ and γ‐heavy chains, κ‐ and λ‐light chains, and J‐chains. Furthermore, complementarity determining regions CDR1 and CDR2 from monoclonal IgM‐RF variable region (V)L were directly identified using accurate mass determinations by FT‐ICR‐MS. The presence of Spα was ascertained as an IgM‐associated protein in the serum cryoprecipitate from a patient with HCV infection.
The Make 2D‐DB II package: Conversion of federated two‐dimensional gel electrophoresis databases into a relational format and interconnection of distributed databases
Authors: Mostaguir Khaled , Hoogland Christine , Binz Pierre‐Alain , Appel Ron D.
Published: August 2003

The Make 2D‐DB tool has been previously developed to help build federated two‐dimensional gel electrophoresis (2‐DE) databases on one’s own web site. The purpose of our work is to extend the strength of the first package and to build a more efficient environment. Such an environment should be able to fulfill the different needs and requirements arising from both the growing use of 2‐DE techniques and the increasing amount of distributed experimental data.
Effect of rosiglitazone on the differential expression of obesity and insulin resistance associated proteins in lep/lep mice
Authors: Sanchez Jean‐Charles , Converset Véronique , Nolan Anna , Schmid Gerhard , Wang Steven , Heller Manfred , Sennitt Matthew V. , Hochstrasser Denis F. , Cawthorne Michael A.
Published: August 2003

Peroxisome proliferator‐activated receptors (PPARs) participate in the molecular mechanism of pathologies with altered lipid homeostasis such as type 2 diabetes or obesity. The insulin sensitizer drug, rosiglitazone, has been shown to bind and activate PPAR‐γ1 in adipocytes and PPAR‐γ2 in hepatocytes. The identification of new molecular targets associated with fatty acid oxidation and PPAR‐γ nuclear receptor regulation in insulin resistance tissues is a key research goal. In the present study, we have used a proteomic approach to identify such targets. Lean and obese C57 Bl/6J lep/lep mice were given BRL49653, rosiglitazone, 10 mg/kg diet, by dietary admixture for 7 days. Rosiglitazone normalized the impaired glucose tolerance and dyslipidemia in lep/lep mice but had no significant effect in the lean mice. Samples of liver, white and brown adipose tissue, and muscle proteins were obtained and 100 μg of proteins was arrayed by two‐dimensional gel electrophoresis. Thirty‐four polypeptides were differentially expressed (p < 0.05) between lep/lep and lean mice and eleven were significantly (p < 0.05) modulated by rosiglitazone treatment of the obese mice. None of the proteins was modulated by rosiglitazone treatment of the lean mice. The identity of these differentially expressed proteins was made using tandem mass spectrometric analysis and revealed components of fatty acid and carbohydrate metabolism as well as proteins with unknown function.
Proteomic analysis of the larval stage of the parasite Echinococcus granulosus: Causative agent of cystic hydatid disease
Authors: Chemale Gustavo , van Rossum Arjan J. , Jefferies James R. , Barrett John , Brophy Peter M. , Ferreira Henrique B. , Zaha Arnaldo
Published: August 2003

We describe the preparation of Echinococcus granulosus metacestode protein extracts for two‐dimensional electrophoresis (2‐DE). Protoscoleces and hydatid fluid were prepared by precipitation using trichloroacetic acid (TCA) to remove nonprotein contaminants. Compared to the untreated control, TCA precipitation improved the 2‐DE gel profile of the protoscoleces proteins. Comparison of 2‐DE gels from insoluble and soluble fractions of the protoscoleces protein extract showed that most proteins are insoluble after lysis by sonication. Host serum proteins, especially albumin and globulins, caused horizontal streaking problems on the hydatid fluid 2‐DE gels due to their high content in this sample. Even after the preparation of a hydatid fluid parasite enriched fraction, the high amount of bovine serum albumin and globulins made parasite‐specific proteins difficult to detect by 2‐DE. Despite the absence of an E. granulosus genome sequencing or expressed sequence tag (EST) projects, it was possible to identify 15 prominent protein spots from a whole protein protoscoleces 2‐DE gel by peptide mass fingerprinting. These include actins, tropomyosin, paramyosin, thioredoxin reductase, antigen P‐29, cyclophilin, and the heat shock proteins hsp70 and hsp20. This work demonstrates that 2‐DE and PMF are important tools to identify proteins from the hydatid fluid and protoscoleces and for the comparative analysis of cysts from different hosts or between active and resting cysts.
Tissue Molecular Anatomy Project (TMAP): An expression database for comparative cancer proteomics
Authors: Medjahed Djamel , Luke Brian T. , Tontesh Tawady S. , Smythers Gary W. , Munroe David J. , Lemkin Peter F.
Published: August 2003

By mining publicly accessible databases, we have developed a collection of tissue‐specific predictive protein expression maps as a function of cancer histological state. Data analysis is applied to the differential expression of gene products in pooled libraries from the normal to the altered state(s). We wish to report the initial results of our survey across different tissues and explore the extent to which this comparative approach may help uncover panels of potential biomarkers of tumorigenesis which would warrant further examination in the laboratory.
Improved peptide charge state assignment
Authors: Colinge Jacques , Magnin Jérôme , Dessingy Thierry , Giron Marc , Masselot Alexandre
Published: August 2003

We present a new approach capable of assigning charge states to peptides based on both their intact mass spectrum and their fragmentation mass spectrum. More specifically, our approach aims at fully exploiting available information to improve correct charge assignment rate. This is achieved by using information provided by the fragmentation spectrum extensively. For low‐resolution spectra, charge assignment based on fragmentation mass spectrum is better than charge assignment based on intact peptide signal only. We introduce two methods that allow to integrate information contributing to successful peptide charge state assignment. We demonstrate the performance of our algorithms on large ion trap data sets. The application of these algorithms to large‐scale proteomics projects can save significant computation time and have a positive impact on identification false positive rates.
Editorial: Proteomics 8/2003
Authors: Palagi Patricia M. , Quadroni Manfredo , Rossier Joël , Sanchez Jean‐Charles , Stöcklin Reto
Published: August 2003

No abstracts.
Correlation between the tensile properties and network draw ratio of CO2‐laser‐heated drawn poly(ethylene terephthalate) fibers
Authors: Okumura W. , Ohkoshi Y. , Gotoh Y. , Nagura M.
Published: August 2003

Low‐orientation and amorphous poly(ethylene terephthalate) fibers were drawn continuously with heating by carbon dioxide (CO2) laser radiation. The tensile properties were examined in terms of the birefringence and network draw ratio, which was estimated from the strain shift of true stress–strain curves. Two drawing forms, neck drawing with a draw efficiency (the ratio of the network draw ratio to the actual draw ratio) of about unity and flow drawing with a draw efficiency of about zero, were found to be stable in the continuous drawing process. Meanwhile, any draw‐efficiency value between zero and unity could be obtained in the batch‐drawing process. The object whose orientation was estimated by the network draw ratio differed from that estimated by birefringence. Two linear relationships were found, between the network draw ratio and tensile strength and between the birefringence and initial modulus. The true stress at breaking increased with the network draw ratio of the CO2‐laser‐heated drawn fibers, and when the draw ratio exceeded 5.0, it became higher than that for batch‐drawn fibers. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 2322–2331, 2003
Generic crack patterns in rubber‐modified polymers under biaxial stress states
Authors: Ramaswamy S. , Lesser Alan J.
Published: August 2003

The damage mechanisms in three different systems, namely, acrylonitrile‐butadiene‐styrene, methacrylate‐butadiene‐styrene modified poly(vinyl chloride), and styrene‐butadiene‐styrene have been investigated. The damage was analyzed over a range of biaxial stress states with confocal microscopy and scanning electron microscopy. The macroscopic yield followed a linear behavior for all the systems in an octahedral shear stress versus mean stress plot, whereas popular models for this class of materials predicted a nonlinear response. Over a certain range of biaxial stress states, a damage pattern generic to all the systems was observed. The damage pattern consisted of an array of cracks propagating perpendicular to the direction of the maximum tensile principal stress and arranged itself in a more or less periodic fashion. There was also self‐similarity in the patterns at various length scales. Similar patterns have also occurred in several other polymeric systems. The interaction in the ensemble of cracks created seems to lead to stress reduction at the crack tips, thereby limiting the crack sizes. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 2248–2256, 2003
Miscibility and thermal properties of melt‐mixed poly(trimethylene terephthalate)/amorphous copolyester blends
Authors: Chiu Fang‐Chyou , Huang Kai‐Hung , Yang Jen‐Chang
Published: August 2003

This work examined the miscibility, crystallization kinetics, and melting behavior of melt‐mixed poly(trimethylene terephthalate) (PTT)/poly(ethylene‐co‐cyclohexane 1,4‐dimethanol terephthalate) (PETG) blends. Differential scanning calorimetry (DSC) and wide‐angle X‐ray diffraction techniques were used to approach the goals. The single composition‐dependent glass‐transition temperatures of the blends and the equilibrium melting temperature (T) depression of PTT in the blends indicated the miscible characteristic of the blend system at all compositions. T of pure PTT, determined with a conventional extrapolative method, was 525.8 K. Furthermore, the Flory–Huggins interaction parameter was estimated to be −0.38. The dynamic and isothermal crystallization abilities of PTT were hindered by the incorporation of PETG. A complex melting behavior was observed for pure PTT and its blends. The observed complex melting behavior resulted mainly from the recrystallization and/or reorganization of the originally formed crystals during the heating scans. For the samples crystallized under the same conditions, the degree of recrystallization and/or reorganization declined with increasing PETG contents in the blends. The preliminary results obtained from the DSC experiments suggested that untraceable interchange reactions occurred in the studied blends. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 2264–2274, 2003
Changes in the melting behavior with the radial distance in isotactic polypropylene spherulites
Authors: Weng J. , Olley R. H. , Bassett D. C. , Jääskeläinen P.
Published: August 2003

The melting of highly tactic i‐polypropylene occurs in two stages even for crystallization at 145 °C, a temperature at which reorganization during scanning is negligible. A comparison of two such polypropylenes, one nucleated and the other not nucleated, together with fractions from the latter, has been made with electron microscopy following permanganic etching, in addition to differential scanning calorimetry. This has allowed the two melting stages to be assigned to two components of the lamellar morphology, with progressive changes in both occurring with increasing radial distance within a spherulite. The highest melting temperature is for dominant radial lamellae far from a spherulite center. The lowest melting regions are the evenly crosshatched spherulite centers and a narrow peripheral band. Lower melting is attributed to the suppression of isothermal lamellar thickening paralleling recent direct demonstrations in polyethylene. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 2342–2354, 2003
The psychosocial impact of cancer: Exploring relationships between conditional goal setting and depression
Authors: Street Helen
Published: August 2003

This study explores depression in cancer patients with reference to conditional goal setting (CGS) theory. CGS theory proposes that depressed individuals believe that personal happiness is conditional upon attainment of specific goals (personal CGS). Other individuals may set important goals believing that goal achievement is a necessary prerequisite of social acceptance and approval (social CGS). CGS has been found to contribute to depression in normal populations. 15.2% of the 67 newly diagnosed cancer patients in this study showed clinical levels of depression. A significant relationship was identified between personal CGS, rumination and depression, as predicted in CGS theory. Two months later, 46.7% of patients demonstrated clinical levels of depression. This later experience of depression was significantly related to social CGS. The results suggest CGS involving a misdirected pursuit of happiness is initially associated with depression whereas subsequent experiences of depression are related to a misdirected pursuit of social acceptance. Implications are discussed in terms of understanding the cancer patients' motivations controlling goal setting. It is suggested that successful psychotherapy for depression in cancer patients needs to examine the motivations controlling goal setting in addition to the process of goal pursuit. Copyright © 2003 John Wiley & Sons, Ltd.
The effects of avoidance on cytotoxic/suppressor T cells in women with cervical lesions
Authors: Fang Carolyn Y. , Miller Suzanne M. , Mills Megan , Mangan Charles E. , Belch Richard , Campbell Donald E. , Douglas Steven D.
Published: August 2003

The purpose of this study was to examine the relationship between avoidant and intrusive ideation about cancer risk and immune responses among women with mild cervical dysplasia. Participants were 54 women undergoing diagnostic follow‐up (i.e. colposcopy) for an abnormal Pap smear test result. Baseline assessments, collected prior to the colposcopy appointment, included demographic and medical history, levels of depression, and the intrusion and avoidance subscales of the Revised Impact of Events Scale. In addition, a sample of blood was obtained at baseline and 6‐month follow‐up for immune assessments. Hierarchical regression analyses revealed that higher levels of cognitive and behavioral avoidance at baseline predicted a significantly lower percentage of circulating cytotoxic/suppressor T cells (CD3+/CD8+) at 6‐month follow‐up, after controlling for baseline levels of cytotoxic/suppressor T cells and potential confounding variables (e.g. age, smoking status). Baseline intrusive ideation was unrelated to changes in percentage of cytotoxic/suppressor T cells. Avoidant ideation, but not intrusive ideation or depression, appears to be associated with alterations in immunologic measures in women with cervical lesions. The findings suggest that it may be important to evaluate the impact of cognitive and behavioral avoidance on progression of precancerous cervical lesions. Copyright © 2003 John Wiley & Sons, Ltd.
Improving supportive care for women with breast cancer in Australia: The challenge of modifying health systems
Authors: Redman Sally , Turner Jane , Davis Cindy
Published: August 2003

Although the benefits of many psychosocial support strategies in improving well being in women with breast cancer have been demonstrated, few women receive these programs as part of routine care. This paper provides some recommendations, based on experience in Australia, about how access to evidence‐based supportive care strategies might be improved through modification of health systems.

It demonstrates the paucity of research about the costs and health service implications of psychosocial support strategies, which is vital to health planning and service delivery change. It outlines the systematic approach taken in Australia to improving psychosocial support nationally by: the development of research reviews; preparation of guidelines about supportive care; implementation of programs to foster the adoption of guidelines through modification of policy, health service delivery and clinician training; and monitoring programs. Coalitions of government, health care professionals and consumers are key to effective lobbying for change. If all women with breast cancer are to receive better supportive care, there is a need for approaches which: refocus the research effort in psycho‐oncology; develop more strategic approaches to generating change in health systems and health policy and foster partnerships to advocate for improved resources. Copyright © 2003 John Wiley & Sons, Ltd.
Factors affecting patient and clinician satisfaction with the clinical consultation: Can communication skills training for clinicians improve satisfaction?
Authors: Shilling Valerie , Jenkins Valerie , Fallowfield Lesley
Published: August 2003

The provision of adequate information in a clear and sensitive manner can improve cancer patients' experience of care. Satisfaction with the cancer consultation may impact on satisfaction with care in general and adjustment to the disease. This study aims to identify factors that influence patient and clinician satisfaction with the cancer consultation and whether satisfaction can be improved with communication skills training. 160 doctors from 34 UK cancer centres participated. Half were randomized to attend a communication skills training course. Patient satisfaction data are presented at baseline and following a communication skills course or in the case of the control doctors, three months after baseline. Clinicians also rated their satisfaction with the consultations. Overall patient satisfaction was not related to the speciality, seniority or sex of the clinician or patient, site of primary cancer or type of treatment. Satisfaction was related to patients' age, psychological morbidity and, most significantly, satisfaction with the length of wait in clinic. Clinician satisfaction was not related to age, sex or cancer site but clinicians were less satisfied following consultations with patients being treated palliatively. Communication skills training had a non‐significant positive effect on patient satisfaction. The subtle benefits of improved communication may be overshadowed by practical problems such as waiting too long to see the doctor, which have an adverse effect on satisfaction. Copyright © 2003 John Wiley & Sons, Ltd.
Mycobacterium smegmatis RecA protein is structurally similar to but functionally distinct from Mycobacterium tuberculosis RecA
Authors: Ganesh N. , Muniyappa K.
Published: August 2003

In eubacteria, RecA proteins belong to a large superfamily of evolutionarily conserved, filament‐forming, functional homologs of DNA strand exchange proteins. Here, we report the functional characterization of Mycobacterium smegmatis (Ms) and Mycobacterium tuberculosis (Mt) RecA proteins. Although in some respects Ms and Mt RecA proteins are structural and functional homologs of Escherichia coli (Ec) RecA, there are significant differences as well. The single‐stranded DNA‐binding property of RecA proteins was analyzed by electrophoretic mobility shift assays. We observed that Ms or Mt RecA proteins bound single‐stranded DNA in a manner distinct from that of Ec RecA: The former two were able to form protein–DNA complexes in the presence of high salt. Further experiments indicated that Ms or Mt RecA proteins catalyzed adenosine triphosphate hydrolysis at approximately comparable rates across a wide range of pHs. Significantly, DNA strand invasion promoted by Ms or Mt RecA proteins displayed similar kinetics but distinctly different pH profiles. In contrast to MtRecA, MsRecA by itself was unable to form joint molecules across a wide range of pHs. However, regardless of the order in which SSB was added, it was able to stimulate MsRecA to form joint molecules within a narrow pH range, indicating that SSB is a required accessory factor. Together, these results provide a source of sharp contrast between EcRecA and mycobacterial RecAs on the one hand and Mt and Ms RecA proteins on the other. Proteins 2003. © 2003 Wiley‐Liss, Inc.
Filtering and selection of structural models: Combining docking and NMR
Authors: Dobrodumov Anatoliy , Gronenborn Angela M.
Published: August 2003

It is generally accepted that protein structures are more conserved than protein sequences, and 3D structure determination by computer simulations have become an important necessity in the postgenomic area. Despite major successes no robust, fast, and automated ab initio prediction algorithms for deriving accurate folds of single polypeptide chains or structures of intermolecular complexes exist at present. Here we present a methodology that uses selection and filtering of structural models generated by docking of known substructures such as individual proteins or domains through easily obtainable experimental NMR constraints. In particular, residual dipolar couplings and chemical shift mapping are used. Heuristic inclusion of chemical or biochemical knowledge about point‐to‐point interactions is combined in our selection strategy with the NMR data and commonly used contact potentials. We demonstrate the approach for the determination of protein‐protein complexes using the EIN/HPr complex as an example and for establishing the domain‐domain orientation in a chimeric protein, the recently determined hybrid human‐Escherichia. coli thioredoxin. Proteins 2003. © 2003 Wiley‐Liss, Inc.
Understanding the acylation mechanisms of active‐site serine penicillin‐recognizing proteins: A molecular dynamics simulation study
Authors: Oliva Mónica , Dideberg Otto , Field Martin J.
Published: August 2003

β‐Lactam antibiotics inhibit enzymes involved in the last step of peptidoglycan synthesis. These enzymes, also identified as penicillin‐binding proteins (PBPs), form a long‐lived acyl‐enzyme complex with β‐lactams. Antibiotic resistance is mainly due to the production of β‐lactamases, which are enzymes that hydrolyze the antibiotics and so prevent them reaching and inactivating their targets, and to mutations of the PBPs that decrease their affinity for the antibiotics. In this study, we present a theoretical study of several penicillin‐recognizing proteins complexed with various β‐lactam antibiotics. Hybrid quantum mechanical/molecular mechanical potentials in conjunction with molecular dynamics simulations have been performed to understand the role of several residues, and pKa calculations have also been done to determine their protonation state. We analyze the differences between the β‐lactamase TEM‐1, the membrane‐bound PBP2x of Streptococcus pneumoniae, and the soluble DD‐transpeptidase of Streptomyces K15. Proteins 2003. © 2003 Wiley‐Liss, Inc.
Field evaluation of capsaicin as a rodent aversion agent for poultry feed
Authors: Jensen Paul G , Curtis Paul D , Dunn Joseph A , Austic Richard E , Richmond Milo E
Published: August 2003

Developing additional techniques for reducing animal feed contamination by rodents and controlling rodent populations is critical to efforts aimed at reducing the occurrence of Salmonella spp infection on poultry farms. Capsaicin, a compound found in chili peppers of the genus Capsicum, produces a burning sensation in the mouth of mammals and is used effectively as an animal deterrent for some pest species. Applied to poultry feed, capsaicin may be effective as an aversive agent to deter rodent feeding and enhance acceptability of rodenticide baits. We tested capsaicin‐treated poultry diets (2000 and 3000 Scoville Heat Units, SHU) in no‐choice feeding trials at four active New York farms in the winter of 1997–1998. At all farms, consumption of the 2000 SHU diet by rodents (Norway rats, Rattus norvegicus (Berk), and house mice, Mus musculus L) was significantly less than consumption of a control diet. Consumption of the 3000 SHU diet by rodents was significantly less than consumption of a control diet at three of the four farms. Overall, consumption of treated diets was 58–97% and 55–98% less than consumption of the control diet, for the 2000 and 3000 SHU diets, respectively. These reductions appeared to be related closely to the availability of alternative feed sources at these farms. Two‐choice feeding trials involving a rodenticide bait (0.05 g kg−1 brodifacoum) and the 3000 SHU diet demonstrated that Norway rats preferred the rodenticide to the capsaicin‐treated poultry feed. Overall, rodenticide bait acceptance was high (95.6%) when offered simultaneously with capsaicin‐treated poultry feed. Although poultry managers must utilize several techniques to manage rodent pests, the use of capsaicin‐treated diets to reduce feed losses and increase rodenticide bait acceptance appears promising. Use of capsaicin‐treated feed on poultry farms may substantially reduce feed contamination by rodents and ultimately the incidence of Salmonella infection in poultry. Copyright © 2003 Society of Chemical Industry
Monitoring of insecticide resistance in damson hop aphid, Phorodon humuli Schrank (Hemiptera: Aphididae) from German hop gardens
Authors: Weichel Lars , Nauen Ralf
Published: August 2003

The damson hop aphid, Phorodon humuli (Schrank) (Hemiptera: Aphididae), is one of the most important sucking pests of many hop‐growing areas world‐wide. In this study we determined the efficacy of several insecticides against strains collected throughout the year 2001. All strains were collected in different hop gardens in the Hallertau (Bavaria), Germany, the largest hop‐growing area of the world. First of all we established a leaf dip bioassay, carried out using six‐well tissue culture plates and appropriate for monitoring susceptibility against imidacloprid, oxydemeton‐methyl, cyfluthrin, amitraz, pymetrozine and pirimicarb. Four of these compounds, imidacloprid, cyfluthrin, pymetrozine and amitraz, are currently registered for the control of sucking pests in German hop gardens and are useful against P humuli. The leaf‐dip bioassay system turned out to be very reliable and robust. Ten P. humuli strains were collected in May 2001 and maintained in the laboratory to assess their resistance to the different insecticides in comparison with two laboratory reference strains (H2 and H5). Using diagnostic concentrations, resistance monitoring for imidacloprid and cyfluthrin was investigated during July and August 2001 on 53 populations from 30 sites around the Hallertau, an area of ca 2500 km2. Resistance to diagnostic concentrations (LC95 for reference strains) of imidacloprid, amitraz and pymetrozine was not detected in any strain received in 2001, but late‐season (August) populations seemed to respond more heterogeneously than those collected mid‐season (July). Overall composite mean mortalities to diagnostic concentrations of imidacloprid (13 mg litre−1) in collections from May, July and August were 95 (±2.5), 98 (±2.3) and 87 (±5.9)%, respectively. Moderate resistance to pyrethroids was observed in all strains collected in May and August using a diagnostic concentrations of 10 mg litre−1 cyfluthrin (LC95 of the susceptible reference strain H5). Slight to moderate resistance to diagnostic concentrations of oxydemeton‐methyl and pirimicarb was observed in some, but not all, strains collected early season. The results are discussed in terms of the implemention of hop aphid resistance management strategies in German hop‐cultivation areas. Copyright © 2003 Society of Chemical Industry
Sulfonylurea herbicide‐resistant Monochoria vaginalis in Korean rice culture
Authors: Kuk Yong In , Jung Ha Il , Kwon Oh Do , Lee Do Jin , Burgos Nilda R , Guh Ja Ock
Published: August 2003

Nine Monochoria vaginalis Presl accessions from Chonnam province, Korea were tested for resistance to the sulfonylurea herbicide, imazosulfuron, in whole‐plant response bioassay. All accessions were confirmed resistant (R) to imazosulfuron. The GR50 (imazosulfuron concentration that reduced shoot dry weight by 50%) values of R accessions were 1112–3172 (accession #9) times higher than that of the standard susceptible (S) accession. Accession #9 exhibited cross‐resistance to other sulfonylurea herbicides, bensulfuron‐methyl, cyclosulfamuron and pyrazosulfuron‐ethyl, but not to the imidazolinone herbicides, imazapyr and imazaquin. The R biotype could be controlled by other herbicides with different modes of action, such as mefenacet and pyrazolate, applied to soil at recommended rates. Foliar‐applied herbicides, 2,4‐D and bentazone, also controlled both the R and S biotypes. Sulfonylurea‐based mixtures, except ethoxysulfuron plus fentrazamide, did not control resistant M vaginalis. Rice yield was reduced 70% by resistant M vaginalis that escaped pyrazosulfuron‐ethyl plus molinate, compared with hand weeding in direct‐seeded rice culture. In contrast, rice yield was reduced 44% by resistant M vaginalis that survived the pyrazosulfuron‐ethyl plus molinate treatment, compared with pyrazolate plus butachlor in transplanted rice culture. In vitro acetolactate synthase (ALS) activity of the R biotype was 183, 35, 130 and 31 times more resistant to imazosulfuron, bensulfuron‐methyl, cyclosulfamuron and pyrazosulfuron‐ethyl, respectively, than the S biotype. Imidazolinone herbicides, imazapyr and imazaquin had similar effect on in vitro ALS activity of the R and S biotypes. The in vivo ALS activity of the R biotype was also less affected than the S biotype by the sulfonylurea herbicides imazosulfuron and pyrazosulfuron‐ethyl. Results of in vitro and in vivo ALS assays indicate that the resistance mechanism of M vaginalis to sulfonylurea herbicides may be due, in part, to an alteration in the target enzyme, ALS. Since the level of resistance in the enzyme assay was much lower than that in the whole‐plant assay, other mechanisms of resistance, such as herbicide metabolism, may be involved. Copyright © 2003 Society of Chemical Industry
Replacing methyl bromide in annual strawberry production with glucosinolate‐containing green manure crops
Authors: Lazzeri Luca , Baruzzi Gianluca , Malaguti Lorena , Antoniacci Loredana
Published: August 2003

The use of biocidal green manure crops is an agronomic technique for amending soil with fresh organic matter containing volatile compounds active in controlling some soil‐borne pests and diseases. Two new selections of the Brassicaceae family were cultivated, incorporated before planting strawberries and tested as an alternative to fumigation with methyl bromide. Two biocidal green manure crops (Brassica juncea L sel ISCI20, Eruca sativa Mill cv Nemat) containing glucosinolate–myrosinase systems, a conventional green manure (barley), untreated soil and a fumigated control were evaluated during two seasons. The effect of these soil management systems on subsequent strawberry performance was evaluated by monitoring yield and plant growth parameters. In both years, biocidal plant green manure treatments led to a fruit yield lower than with methyl bromide, but higher than with conventional green manure or untreated soil. These results confirm the good prospects for biocidal green manures, not only as an environmentally friendly alternative to methyl bromide in conventional agriculture, but also in organic agriculture as an alternative to conventional green manure crops. Copyright © 2003 Society of Chemical Industry
Insecticide‐resistant pollen beetles (Meligethes aeneus F) found in Danish oilseed rape (Brassica napus L) fields
Authors: Hansen Lars Monrad
Published: August 2003

The pollen beetle is the most important pest in Danish oilseed rape fields. In 2001, we screened a broad range of pollen beetle populations for pyrethroid and dimethoate resistance. A standard dip‐test was used to test insecticide resistance in 18 populations collected from oilseed winter and spring rape fields. The beetles were treated with four different insecticides: the pyrethroids tau‐fluvalinate, lambda‐cyhalothrin and esfenvalerate, and the organophosphate dimethoate. The results show that up to 99% of the pollen beetles survived Danish standard doses of pyrethroids and up to 36% of the beetles survived standard doses of dimethoate. Copyright © 2003 Society of Chemical Industry
4,4′‐Dinitrocarbanilide (DNC) concentrations in egg shells as a predictor of nicarbazin consumption and DNC dose in goose eggs
Authors: Stahl Randal S , VerCauteren Kurt C , Kohler Dennis , Johnston John J
Published: August 2003

Nicarbazin is being investigated as an infertility agent for the control of non‐migratory Canada geese (Branta canadensis L) populations. Nicarbazin is presently registered for use as a coccidiostat for poultry. Geese fed sufficient quantities of nicarbazin will lay non‐viable eggs. We established nicarbazin consumption by measuring the concentration of a component of the formulation, 4,4′‐dinitrocarbanilide (DNC) in the egg contents (yolk, albumin) in non‐viable eggs. To estimate the nicarbazin consumption of birds that laid viable eggs (eggs that hatched or contained an embryo), a high‐performance liquid chromatography method was developed to measure the concentration of DNC in egg shells. A statistically significant correlation was established using linear regression between the mean concentrations of DNC in the egg shell and in the egg contents in non‐viable eggs. Viable eggs were estimated to contain lower levels of DNC than non‐viable eggs. DNC concentrations in both the egg contents and the egg shell increased with increases in nicarbazin dose in feed. Our method allows for the estimation of nicarbazin consumption and DNC dose in eggs under field conditions, which is important in developing an effective infertility agent for over‐abundant non‐migratory goose populations. Published in 2003 for SCI by John Wiley & Sons Ltd.
Approximate ansatz for the expansion of the spherically averaged wave function in terms of interelectronic separation r12 for the Hookean atom, atomic ions, and the H2 molecule
Authors: Amovilli C. , Nagy Á. , March N. H.
Published: August 2003

For the two‐electron Hookean atom, it is first emphasized that, for a specific force constant k = 1/4, the ground‐state wave function has a simple dependence on the interelectronic separation r12, namely, (1 + ½r12)exp(−⅛r). For this two‐electron model, therefore, the study of Rassolov and Chipman on the electron–electron cusp conditions on the spherically averaged wave function for the N electron atomic ions can be generalized to all orders in the interelectronic separation r12. This Hookean model has therefore been used to give some justification for an ansatz for the spherically averaged wave function in atomic ions with N electrons for N ≥ 2. Several approximate two‐electron wave functions satisfying the Rassolov and Chipman conditions were tested and found to give excellent results. Another ansatz has been tested numerically on the ground state of two‐electron atomic ions and the H2 molecule. Finally, for the Hookean atom a partial differential equation that is essentially for the pair correlation density is given in the Appendix. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 95: 21–29, 2003
Structural and electronic properties of PbZrxTi1‐xO3 (x = 0.5, 0.375): A quantum chemical study
Authors: Zambrano Cesar , Sanchez Alfredo , Procel Luis Miguel , Stashans Arvids
Published: August 2003

The structural and electronic properties of the PZT materials PbZr0.5Ti0.5O3 and PbZr0.375Ti0.625O3 were studied by means of a Hartree–Fock quantum chemical semiempirical method that employs a periodic large unit cell (LUC) model. The atomic relaxation observed upon introduction of the Zr impurities resulted in outward oxygen atom displacements along the 〈100〉 direction for the cubic phases and varied oxygen and lead atom movements for the tetragonal structures. For these materials, the conduction bands (CB) were composed mainly of Pb 6p atomic orbitals with less important contributions of Zr 4d and Ti 3d states. The upper valence band (UVB) for the cubic phases was mostly Pb 6s in nature, with minor contribution of O 2p atomic orbitals. The tetragonal phase on the other hand was formed by Pb 6s with some contribution of admixed O 2p with Zr s atomic orbitals. The optical band gap (ΔSCF method) was found to decrease going from the cubic to the tetragonal phase in both titanates. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 95: 37–43, 2003
Time‐dependent wave packet approach to Rabi oscillation in strong laser field
Authors: Meng Qing‐Tian , Yang Guang‐Hui , Han Ke‐Li
Published: August 2003

The phenomenon of Rabi oscillation is obtained in the investigation of the NO multiphoton ionization (MPI) in femtosecond laser fields. The “split operator‐Fourier transform” method of wave packet propagation is used in the representation of Rabi oscillation of population in each electronic state of NO molecule. The origin of Rabi oscillation and the effect on multiphoton ionization is analyzed. The high‐frequency oscillation riding on the top of Rabi oscillation is attributed to the nonrotating wave component in strong laser fields. Also illustrated is that through adjusting the pump‐probe delay time and the laser intensity appropriately the control of the ionization yield can be realized. This idea may be important for the laser control of chemical reaction. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 95: 30–36, 2003
Molecular spectra from rotationally invariant Hamiltonians based on the quantum algebra suq(2) and irreducible tensor operators under suq(2)
Authors: Bonatsos Dennis , Kotsos B. A. , Raychev P. P. , Terziev P. A.
Published: August 2003

The rotational invariance under the usual physical angular momentum of the suq(2) Hamiltonian for the description of rotational molecular spectra is explicitly proved and a connection of this Hamiltonian to the formalism of Amal'sky is provided. In addition, a new Hamiltonian for rotational spectra is introduced, based on the construction of irreducible tensor operators (ITOs) under suq(2) and use of q‐deformed tensor products and q‐deformed Clebsch–Gordan coefficients. The rotational invariance of this suq(2) ITO Hamiltonian under the usual physical angular momentum is explicitly proved and a simple closed expression for its energy spectrum (the “hyperbolic tangent formula”) is introduced. Numerical tests against an experimental rotational band of the HF molecule are provided. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 95: 1–20, 2003
SCC‐DFTB‐D study of intercalating carcinogens: Benzo(a)pyrene and its metabolites complexed with the G–C base pair
Authors: Kumar Anil , Elstner Marcus , Suhai Sándor
Published: August 2003

The interaction of benzo(a)pyrene (BP) and its metabolites with the G–C base pair has been studied using the self‐consistent‐charge, density functional tight‐binding(SCC‐DFTB‐D) method, augmented by the empirical London dispersion energy term. Structures of the complexes corresponding to a minimum interaction energy obtained using a constrained rigid body search were fully optimized. It is found that the benzylic ring of BP and its anti‐conformers is located below the NH2 group of guanine while the syn‐conformers exhibit a different binding pattern. The BP triol carbocation (BPTC) in the anti‐conformation is stabilized by an additional hydrogen bond between the hydrogen atom of the OH group of BPTC and the N3 atom of guanine of the G–C base pair. The benzylic ring of BPTC directed toward the minor groove side whereas the pyrenyl ring stacks below the cytosine covering the hydrogen bond region. Guanine bends toward the benzylic ring, making an angle of ∼11–15° with the pyrene ring. The calculated equilibrium structures are in good agreement with the available experimental and other theoretical results. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 95: 44–59, 2003
New generation of mucosal adjuvants for the induction of protective immunity
Authors: Yuki Yoshikazu , Kiyono Hiroshi
Published: August 2003

Invasion of infectious agents through mucosal surfaces can be prevented by use of the common mucosal immune system (CMIS), which interconnects inductive tissues, including Peyer's patches (PPs) and nasopharyngeal‐associated lymphoreticular tissue (NALT), and effector tissues of the intestinal and respiratory tracts. In order for the CMIS to induce maximal protective mucosal immunity, co‐administration of mucosal adjuvant has been shown to be essential. When vaccine antigen is administered together with mucosal adjuvant, antigen‐specific T‐helper (Th) 1 and Th2 cells, cytotoxic T lymphocytes (CTLs) and IgA B cell responses are effectively induced by oral or nasal routes via the CMIS. In the early stages of induction of mucosal immune response, the uptake of orally or nasally administered antigens is achieved through a unique set of antigen‐sampling cells, M cells located in follicle‐associated epithelium (FAE) of inductive sites. After successful uptake, the antigens are immediately processed and presented by the underlying dendritic cells (DCs). Elucidation of the molecular/cellular characteristics of M cells and mucosal DCs will greatly facilitate the design of a new generation of effective mucosal adjuvants and of a vaccine delivery vehicle that maximises the use of the CMIS. Our recent efforts at mucosal vaccine development have focused on nasal administration of vaccine antigen together with nontoxic mutant‐based or cytokine‐/chemokine‐based adjuvant for the induction of the protective immunity. To this end, a chimeric form of a nontoxic adjuvant combining the merits of mutant cholera toxin A subunit (mCT‐A) and heat labile toxin B subunit (LT‐B) was created as the second generation of detoxified toxin‐based mucosal adjuvant. When a vaccine antigen was coexpressed together with an immune stimulatory/delivery molecule in crop seed, this edible vaccine is not only effective but also extremely practical in that it can be produced in huge quantities and preserved and shipped over long distances at room temperature without altering the quality of the vaccine. Because such qualities would greatly facilitate global vaccination, this new generation edible vaccines with a built‐in adjuvant and/or M cell‐targeted edible vaccine promises to be a powerful weapon for combating infectious diseases and bioterrorism. Copyright © 2003 John Wiley & Sons, Ltd.