bluuebunny/crossref_metadata_2025 huggingface dataset:
Transcription factor E2F‐1 acts as a growth‐promoting factor and is associated with adverse prognosis in non‐small cell lung carcinomas
Authors: Gorgoulis Vassilis G. , Zacharatos Panayotis , Mariatos George , Kotsinas Athanassios , Bouda Martha , Kletsas Dimitris , Asimacopoulos Panayiotis J. , Agnantis Niki , Kittas Christos , Papavassiliou Athanasios G.
Published: October 2002

Numerous upstream stimulatory and inhibitory signals converge to the pRb/E2F pathway, which governs cell‐cycle progression, but the information concerning alterations of E2F‐1 in primary malignancies is very limited. Several in vitro studies report that E2F‐1 can act either as an oncoprotein or as a tumour suppressor protein. In view of this dichotomy in its functions and its critical role in cell cycle control, this study examined the following four aspects of E2F‐1 in a panel of 87 non‐small cell lung carcinomas (NSCLCs), previously analysed for defects in the pRb‐p53‐MDM2 network: firstly, the status of E2F‐1 at the protein, mRNA and DNA levels; secondly, its relationship with the kinetic parameters and genomic instability of the tumours; thirdly, its association with the status of its transcriptional co‐activator CBP, downstream target PCNA and main cell cycle regulatory and E2F‐1‐interacting molecules pRb, p53 and MDM2; and fourthly, its impact on clinical outcome. The protein levels of E2F‐1 and its co‐activator CBP were significantly higher in the tumour area than in the corresponding normal epithelium (p<0.001). E2F‐1 overexpression was associated with increased E2F‐1 mRNA levels in 82% of the cases examined. The latter finding, along with the low frequency of E2F‐1 gene amplification observed (9%), suggests that the main mechanism of E2F‐1 protein overexpression in NSCLCs is deregulation at the transcriptional level. Mutational analysis revealed only one sample with asomatic mutation at codon 371 (Glu→Asp) and one carrying a polymorphism at codon 393 (Gly→Ser). Carcinomas with increased E2F‐1 positivity demonstrated a significant increase in their growth indexes (r=0.402, p=0.001) and were associated with adverse prognosis (p=0.033 by Cox regression analysis). The main determinant of the positive association with growth was the parallel increase between E2F‐1 staining and proliferation (r=0.746, p<0.001), whereas apoptosis was not influenced by the status of E2F‐1. Moreover, correlation with the status of the pRb–p53–MDM2 network showed that the cases with aberrant pRb expression displayed significantly higher E2F‐1 indexes (p=0.033), while a similar association was noticed in the group of carcinomas with deregulation of the p53–MDM2 feedback loop. In conclusion, the results suggest that E2F‐1 overexpression may contribute to the development of NSCLCs by promoting proliferation and provide evidence that this role is further enhanced in a genetic background with deregulated pRb–p53–MDM2 circuitry. Copyright © 2002 John Wiley & Sons, Ltd.
Immunohistochemical expression of cyclin D1, E2F‐1, and Ki‐67 in benign and malignant thyroid lesions
Authors: Saiz Antonio D. , Olvera Maria , Rezk Sherif , Florentine Barbara A. , McCourty Althea , Brynes Russell K.
Published: October 2002

Cyclin D1 and E2F‐1 proteins are essential for the regulation of the G1/S transition through the cell cycle. Cyclin D1, a product of the bcl‐1 gene, phosphorylates the retinoblastoma protein, releasing E2F‐1, which in turn activates genes involved in DNA synthesis. Expression patterns of E2F‐1 protein in thyroid proliferations have not been reported. This study used monoclonal antibodies for cyclin D1 and E2F‐1 proteins to immunostain sections of normal thyroid, hyperplastic (cellular) nodules, follicular adenomas, follicular carcinomas, and papillary carcinomas. The proliferation rate was examined using an antibody specific for the Ki‐67 antigen. Fluorescence in situ hybridization (FISH) methods and chromosome 11‐specific probes were also employed to determine chromosome copy number and to assess for evidence of amplification at the 11q13 locus in papillary and follicular carcinomas with cyclin D1 overexpression. Concurrent overexpression of Ki‐67, cyclin D1, and E2F‐1 was found in the majority of benign and malignant thyroid lesions, compared with normal thyroid tissue. Cyclin D1 up‐regulation was not due to extra copies of chromosome 11, or bcl‐1 gene amplification. Malignant tumours showed the highest expression for all three markers, particularly papillary carcinomas. E2F‐1 was detected at the same or slightly lower levels than cyclin D1. It was only found when cyclin D1 was overexpressed. Because cyclin D1 normally activates E2F‐1, up‐regulation of cyclin D1 may lead to E2F‐1 overexpression in benign and malignant thyroid lesions. Copyright © 2002 John Wiley & Sons, Ltd.
Proinflammatory cytokine (TNFα/IL‐1α) induction of human osteoclast formation
Authors: Kudo Osami , Fujikawa Yosuke , Itonaga Ichiro , Sabokbar Afsie , Torisu Takehiko , Athanasou Nicholas A.
Published: October 2002

TNFα and IL‐1α are potent stimulators of bone resorption in vivo and in vitro. Recently, it has been demonstrated that these two cytokines directly induce osteoclastogenesis in mouse marrow cultures. This study determined whether TNFα (± IL‐1α) is also capable of inducing human osteoclastogenesis. The CD14+ monocyte fraction of human peripheral mononuclear cells was cultured with TNFα ± IL‐1α in the presence of M‐CSF. TNFα induced the formation of multinucleated cells (MNCs) which were positive for TRAP, VNR and cathepsin K and showed evidence of resorption pit formation. IL‐1α stimulated TNFα‐induced lacunar resorption two‐ to four‐fold. Osteoprotegerin, the decoy receptor for RANKL, did not inhibit this process. Anti‐human IL‐1α neutralizing antibodies significantly inhibited resorption without inhibiting the formation of TRAP+/VNR+ MNCs. These results suggest that, in the presence of M‐CSF, TNFα is sufficient for inducing human osteoclast differentiation from circulating precursors by a process which is distinct from the RANK/RANKL signalling pathway. Copyright © 2002 John Wiley & Sons, Ltd.
Variations in antidepressant prescribing practice: clinical need or market influences?
Authors: De Las Cuevas Carlos , Sanz Emilio J. , De La Fuente Juan A.
Published: October 2002

Objective

To assess the antidepressant prescribing patterns of community psychiatrists, and the prescriptions issued by general practitioners and private physicians during 1999 in order to analyse and discuss the intensity and sources of variations between doctors.

Methods

All reimbursed prescriptions for antidepressants written in 1999 by community psychiatrists and general practitioners working for the Canary Islands Health Service at Santa Cruz de Tenerife were collected from official sources. Prescriptions were available individualized for each psychiatrist but were collected globally for the others. Drugs were classified according to the Anatomic Therapeutic Chemical (ATC‐1999 edition) System and use was quantified in terms of defined daily doses (DDDs). As an indicator of the quality of drug prescribing, the DU90% was used.

Results

The total use of antidepressant in Tenerife was 21.4 DDD/1000 inhabitants/day. The most frequently prescribed substances were fluoxetine, paroxetine and sertraline, which accounted for 58% of all prescriptions. Each psychiatrist used between 10 and 20 different substances and between 15 and 26 different trade names. Prescribing by general practitioners mirrored that of psychiatrist, and private doctors (mainly psychiatrist) were found to have a different pattern of prescribing with higher use of new and uncommon antidepressants. Psychiatrists acknowledge the pressures of promotion by the pharmaceutical industry and half of them recognize a personal relationship with some ‘company representatives’.

Conclusion

There is a remarkable degree of variation in antidepressant prescribing by psychiatrists and general practitioners, this is due to economic and social factors as much as to morbidity differences. Copyright © 2002 John Wiley & Sons, Ltd.
Pattern of use of complementary/alternative medicine (CAM) in epileptic patients in a tertiary care hospital in India
Authors: Tandon M. , Prabhakar S. , Pandhi P.
Published: October 2002

Purpose

Many patients use complementary/alternative medicine (CAM) for their health problems especially where long‐term treatment is required. Epilepsy is the most prevalent neurological disorder requiring long‐term treatment and compliance. The purpose of the study was to establish the pattern of use of CAM in epileptic patients.

Methods

1000 patients with seizure disorder visiting the Neurology outpatient department were interviewed regarding use of complementary/alternative medicine (CAM) in the past. The pattern of use, persons who recommended CAM and the reasons for trying these therapies and sequence of seeking them was noted in these patients.

Results

Overall 32% of patients had used CAM. Ayurvedic medicine was used most frequently, either alone (43%) or in combination (38%) with other CAM therapies followed by homeopathy (12.5%). Use of CAM was seen among all age groups and at all levels of education and was most frequent in the rural population (67%). Influence of family and friends (50%) was the most common reason for trying these therapies. Most patients (57%) sought CAM providers first before seeking the services of a medical doctor in our study.

Conclusion

As more and more patients use CAM, physicians should ask their patients whether they use these therapies and should discuss these practices with their patients in order to safeguard their health. Copyright © 2002 John Wiley & Sons, Ltd.
The usefulness of self‐reported psychopathy‐like traits in the study of antisocial behaviour among non‐referred adolescents
Authors: Andershed Henrik , Gustafson Sigrid B. , Kerr Margaret , Stattin Håkan
Published: October 2002

The present study addresses the question of whether it is possible to use a self‐report measure of psychopathic traits on non‐referred youth samples to identify a subgroup of problematic youths who are particularly problematic and different from other problem youths. A large sample of eighth‐grade, non‐referred adolescents, and their parents were assessed. Results showed that the adolescents exhibiting a low‐socialized psychopathy‐like personality constellation had a more frequent, violent, and versatile conduct‐problem profile than other low‐socialized and well socialized adolescents. The psychopathy‐like adolescents also differed from other poorly socialized adolescents in ways that suggested that their etiological background was different from adolescents with non‐psychopathy‐like conduct problems. We conclude that self‐report measures can indeed be useful for research purposes in subtyping youths with conduct problems. Copyright © 2002 John Wiley & Sons, Ltd.
Synthesis and crosslinking of vinyl‐terminated biphenyl and naphthalene liquid‐crystalline poly(epichlorohydrin) derivatives: Effect of nonmesogenic nonvinylic units on the mesogenic properties
Authors: Callau Lourdes , Reina José Antonio , Mantecón Ana
Published: October 2002

Two series of vinyl‐terminated side‐chain liquid‐crystalline polyethers containing ethylene oxide or glycidyl aromatic carboxylates as spacers were synthesized. The mesogenic cores were 4,4′‐biphenyl or 2,6‐naphthalene moieties. The polymers were synthesized by chemically modifying poly(epichlorohydrin) or poly(epichlorohydrin)‐poly(ethylene oxide) with the corresponding mesogenic carboxylic acids or with mixtures of these acids and the nonmesogenic non‐crosslinkable analogous 4‐biphenyl‐ and 2‐naphthalenecarboxylic acids. In most cases the degree of modification achieved was higher than 90%. The polymers were characterized by chlorine analysis, IR, and 1H and 13C NMR spectroscopies; viscosimetry; size exclusion chromatography; multi‐angle laser light scattering; and thermogravimetric analysis. The liquid‐crystal behavior, shown by most polymers, was examined by differential scanning calorimetry, polarized optical microscopy (POM), and X‐ray diffraction on mechanically oriented samples. The crosslinking of most polymers was done by peroxide‐type initiators that led to liquid‐crystal thermosets or elastomers. The freezing of the mesophase organization on the crosslinked materials was confirmed by POM and X‐ray diffraction. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 3893–3908, 2002
Synthesis of polyacetals with various main‐chain structures by the self‐polyaddition of vinyl ethers with a hydroxyl function
Authors: Hashimoto Tamotsu , Ishizuka Koji , Umehara Akihiro , Kodaira Toshiyuki
Published: October 2002

To establish the optimum conditions for obtaining high molecular weight polyacetals by the self‐polyaddition of vinyl ethers with a hydroxyl group, we performed the polymerization of 4‐hydroxybutyl vinyl ether (CH2CHOCH2CH2CH2CH2OH) with various acidic catalysts [p‐toluene sulfonic acid monohydrate, p‐toluene sulfonic anhydride (TSAA), pyridinium p‐toluene sulfonate, HCl, and BF3OEt2] in different solvents (tetrahydrofuran and toluene) at 0 °C. All the polymerizations proceeded exclusively via the polyaddition mechanism to give polyacetals of the structure [CH(CH3)OCH2CH2CH2CH2O]n quantitatively. The reaction with TSAA in tetrahydrofuran led to the highest molecular weight polymers (number‐average molecular weight = 110,000, weight‐average molecular weight/number‐average molecular weight = 1.59). 2‐Hydroxyethyl vinyl ether, diethylene glycol monovinyl ether, cyclohexane dimethanol monovinyl ether, and tricyclodecane dimethanol monovinyl ether were also employed as monomers, and polyacetals with various main‐chain structures were obtained. This structural variety of the main chain changed the glass‐transition temperature of the polyacetals from approximately −70 °C to room temperature. These polyacetals were thermally stable but exhibited smooth degradation with a treatment of aqueous acid to give the corresponding diol compounds in quantitative yields. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 4053–4064, 2002
Rheooptical Fourier transform infrared spectroscopy of the deformation behavior in quenched and slow‐cooled isotactic polypropylene films
Authors: Parthasarthy Gautam , Sevegney Michael , Kannan Rangaramanujam M.
Published: October 2002

Emerging technological applications for complex polymers require insight into the dynamics of these materials from a molecular and nanostructural viewpoint. To characterize the orientational response at these length scales, we developed a versatile rheooptical Fourier transform infrared (FTIR) spectrometer by combining rheometry, polarimetry, and FTIR spectroscopy. This instrument is capable of measuring linear infrared dichroism spectra during both small‐strain dynamic deformation and large‐strain irreversible deformation over a wide temperature range. The deformation response of quenched and slow‐cooled isotactic polypropylene (iPP) is investigated. In quenched iPP, under dynamic oscillatory strain at an amplitude of ∼0.1%, the dichroism from the orientation of the amorphous chains is appreciably less than that from the crystalline region. At large irreversible strains, we measured the dichroic response for 12 different peaks simultaneously and quantitatively. The dichroism from the crystalline peaks is strong as compared to amorphous peaks. In the quenched sample, the dichroism from the crystalline region saturates at 50% strain, followed by a significant increase in the amorphous region dichroism. This is consistent with the notion that the crystalline regions respond strongly before the yield point, whereas the majority of postyielding orientation occurs in the amorphous region. Our results also suggest that the 841 cm−1 peak may be especially sensitive to the ‘smectic’ region orientation in the quenched sample. The response of the slow‐cooled sample at 70 °C is qualitatively similar but characterized by a stronger crystalline region dichroism and a weaker amorphous region dichroism, consistent with the higher crystallinity of this sample, and faster chain relaxation at 70 °C. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 40: 2539–2551, 2002
Grafting of polycaprolactone onto poly(ethylene‐co‐vinyl alcohol) and application to polyethylene‐based bioerodable blends
Authors: Park Eun‐Soo , Kim Mal‐Nam , Yoon Jin‐San
Published: October 2002

Poly(ethylene‐co‐vinyl acetate) (EVA) powders containing 10 and 20 wt % of vinyl acetate (VAc) units was saponified in ethanol/KOH solution in a heterogeneous manner. Intermolecular interaction between vinyl alcohol(VOH) units in the produced poly(ethylene‐co‐vinyl alcohol) (EVOH) promoted the crystallization of intervening segments composed of ethylene units. Ring opening polymerization of caprolactone (CL) in the presence of EVOH gave EVOH‐g‐PCL graft copolymers with relatively short chain branches. Even though the graft copolymerization was carried out in a homogeneous solution, all the VOH units were not equally reactive for the PCL grafting. And the unreacted VOH units decreased very slowly with the graft copolymerization time. EVOH‐g‐PCL decreased the domain size of the dispersed phase in low density polyethylene (PE)/biodegradable master batch (MB) blends, and thus increased their tensile properties significantly. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 40: 2561–2569, 2002
Reversal of digital clubbing after lung transplantation in cystic fibrosis patients: A clue to the pathogenesis of clubbing
Authors: Augarten Arie , Goldman Ran , Laufer Joseph , Szeinberg Amir , Efrati Ori , Barak Asher , Miller Mervyn S. , Yahav Yaacov
Published: October 2002

Digital clubbing is a common sign in cystic fibrosis (CF) and in a variety of other diseases. However, its pathogenesis remains obscure. In diseases other than CF, regression of clubbing has been noted after cure of the underlying disease. The aim of this study was to assess whether clubbing is reversible in CF patients after lung transplantation. Digital clubbing was investigated in 3 CF patients, prior to and after lung transplantation. Distal phalangeal depth (DPD) and interphalangeal depth (IPD) of the index finger were measured using a skinfold caliper, and the DPD/IDP ratio was calculated.

The mean DPD/IDP ratio was 1.08 ± 0.05 prior to transplantation and 1.00 ± 0.06, 0.96 ± 0.06, 0.92 ± 0.04, and 0.89 ± 0.07 at 3, 6, 12, and 24 months after transplantation, respectively. In all 3 patients, the DPD/IDP ratio was greater than 1 before transplantation. In 2 patients, this ratio decreased to less than 1 within 3 months, and in the third patient within 9 months after surgery.

We conclude that digital clubbing is reversible in CF patients who undergo lung transplantation. Regression was usually noted during the first 3 months posttransplantation. This could be explained either by adequate inactivation of a circulating clubbing‐inducing molecule by the normal transplanted lungs, or by removal of the diseased lungs in which this presumably causative substance was produced. Pediatr Pulmonol. 2002; 34:378–380. © 2002 Wiley‐Liss, Inc.
Phase I study of a vaccine using recombinant vaccinia virus expressing PSA (rV‐PSA) in patients with metastatic androgen‐independent prostate cancer
Authors: Gulley James , Chen Alice P. , Dahut William , Arlen Philip M. , Bastian Anne , Steinberg Seth M. , Tsang Kwong , Panicali Dennis , Poole Diane , Schlom Jeffrey , Michael Hamilton J.
Published: October 2002

BACKGROUND

A Phase I trial of recombinant vaccinia prostate specific antigen (rV‐PSA) in patients with advanced metastatic prostate cancer was conducted. This report describes 42 patients who were treated with up to three monthly vaccinations.

METHODS

All patients were entered on a dose‐escalation phase I study of recombinant vaccinia containing the gene for PSA (rV‐PSA). The primary objective of this study was to determine the safety of this vaccine in metastatic androgen‐independent prostate cancer patients. A secondary objective was to assess evidence of anti‐tumor activity by PSA measurements, radiologic findings, and immunologic methods.

RESULTS

There was no significant treatment‐related toxicity apart from erythema, tenderness, and vesicle formation that lasted several days at the site of injection in some patients. There were immunologic responses, in selected patients, as evidenced by an increase in the proportion of PSA‐specific T cells after vaccination. Furthermore, we show that these patients' T cells can lyse PSA‐expressing tumor cells in vitro.

CONCLUSION

Given the low toxicity profile and the evidence of immunologic activity, we believe future study is warranted with PSA‐based vaccines in prostate cancer. New PSA‐based vaccines and vaccine strategies are currently being evaluated. Prostate 53: 109–117, 2002. © 2002 Wiley‐Liss, Inc.
Oncolytic viral gene therapy for prostate cancer using two attenuated, replication‐competent, genetically engineered herpes simplex viruses
Authors: Cozzi Paul J. , Burke Peter B. , Bhargav Amit , Heston Warren D.W. , Huryk Bob , Scardino Peter T. , Fong Yuman
Published: October 2002

BACKGROUND

Attenuated, replication‐competent herpes simplex virus mutants offer an exciting new modality in cancer therapy through their ability to selectively replicate within and kill malignant cells with minimal harm to normal tissues.

METHODS

This study investigates the efficacy of two such viruses, G207 and NV1020, in human prostatic carcinoma. In vitro studies were performed on four human prostatic carcinoma cell lines, and in vivo single/multiple dose studies were undertaken on mice by using two human cell types. Tumor volume, histopathology at necropsy, and serum prostate specific antigen (PSA) were used as measures of antiproliferative effect in the in vivo experiments.

RESULTS

Both viruses were effective in producing cytolytic effects in vitro at various multiplicities of infection in all cell lines tested. Both viruses demonstrated antitumor effects in vivo with a statistically significant decrease in serum PSA and inhibition of growth of both PC‐3 and C4‐2 subcutaneous xenografts. Tumor‐free animals at necropsy were observed in the treated groups but not in control animals.

CONCLUSION

These results display impressive activity against human prostate cancer and offer promise for the use of this modality in the future. Prostate 53: 95–100, 2002. © 2002 Wiley‐Liss, Inc.
Production of anti‐virus, viroid plants by genetic manipulations
Authors: Ishida Isao , Tukahara Masayoshi , Yoshioka Masaharu , Ogawa Toshiya , Kakitani Mokoto , Toguri Toshihiro
Published: October 2002

Many pathogenic plant viruses are RNA viruses, which initiate production of double‐stranded RNA intermediates when they replicate in host plant cells. Introduction of double‐stranded RNA‐specific ribonucleases such as the Schizosaccharomyces pombe derived pac I protein and animal cell derived interferon‐induced 2′,5′‐oligoadenylate synthetase (2‐5Aase)/ribonuclease L (RNase L) system into various plants may make plants resistant to various pathogenic viruses and viroids. We have demonstrated that pac I and 2‐5Aase/RNase L transgenic tobacco plants are resistant to various viruses including tobacco mosaic virus, cucumber mosaic virus and potato virus Y. In addition, pac I transgenic potato plants are resistant to potato spindle tuber viroid. Using Agrobacterium‐mediated transformation, we have established a transformation system for chrysanthemum plants and have recently developed pac I transgenic chrysanthemum (Dendranthema grandiflora cv Reagan) resistant to chrysanthemum stunt viroid and have grown them in isolated fields for an evaluation of their effects.

© 2002 Society of Chemical Industry
Three‐dimensional common‐feature hypotheses of inhibitors of calling behaviour and in vitro [14C]acetate incorporation by pheromone glands of Plodia interpunctella
Authors: Hirashima Akinori , Eiraku Tomohiko , Shigeta Yoko , Kuwano Eiichi , Taniguchi Eiji , Eto Morifusa
Published: October 2002

Some octopamine (OA) agonists were found to suppress the calling behaviour and pheromone biosynthesis in vitro of the Indian meal moth, Plodia interpunctella (Hübner), a stored‐product pest. Compounds were screened using a calling behaviour bioassay of female P interpunctella. Three active derivatives, with activity at the nanomolar level, were identified. In order of decreasing pheromonostatic activity these were: 2‐(2‐ethyl‐6‐methylanilino)oxazolidine > 2‐(2,6‐diethylanilino)thiazolidine > 2‐(2,6‐diethylanilino)oxazolidine. These compounds showed also in vitro inhibitory activities in de novo pheromone biosynthesis. Three‐dimensional pharmacophore hypotheses were built from a set of 19 compounds. Among the ten common‐featured models generated by the program Catalyst/HipHop, a hypothesis including a ring aromatic group (RA), a positive ionizable group (PI) and two hydrophobic aliphatic (HpAl) features was considered to be essential for inhibitory activity in the calling behaviour and pheromone biosynthesis in vitro. Active compounds mapped well onto all the RA, PI and HpAl features of the hypothesis. Less‐active compounds were shown not to achieve the energetically favourable conformation which was found in the active molecules in order to fit the 3‐D common‐feature pharmacophore models. The present studies demonstrate that inhibition of calling behaviour and PBAN‐stimulated incorporation of radioactivity is by OA‐agonistic activity.

© 2002 Society of Chemical Industry
Evaluation of the effect of triterpenes on urinary risk factors of stone formation in pyridoxine deficient hyperoxaluric rats
Authors: Vidya Lakshminarasimhan , Lenin Mahimainathan , Varalakshmi Palaninathan
Published: October 2002

Investigations were carried out to evaluate the efficacy of the pentacyclic triterpene, lupeol and its ester, lupeol linoleate, against calcium oxalate urolithiasis in rats. Administration of a pyridoxine deficient diet containing 3% glycollic acid for 21 days led to increased excretion of stone forming constituents such as calcium, oxalate and uric acid. Crystal deposition and subsequent renal tubular damage resulted in increased excretion of the tubular enzymes alkaline phosphatase, lactate dehydrogenase, γ glutamyl transferase, β glucuronidase and N‐acetyl glucosaminidase along with reduced fibrinolytic enzymes. A reduction in the urinary inhibitory factors magnesium and glycosaminoglycans was also observed. Treatment with lupeol and lupeol linoleate reduced the extent of tubular damage as evidenced from reduced enzymuria and minimized the excretion of stone forming constituents. Copyright © 2002 John Wiley & Sons, Ltd.
Four‐parameter beta distribution estimation and skewness test
Authors: McGarvey Ronald G. , Del Castillo Enrique , Cavalier Tom M. , Lehtihet E. Amine
Published: October 2002

Sequential tolerance control (STC) is a tolerance control methodology used in discrete parts manufacturing. Recently, an adaptive sphere‐fitting method for STC (ASF–STC) was developed to account for potential skewness in manufacturing operations' distributions, a factor not considered in conventional STC. ASF–STC offers significant improvements over conventional STC when such skewness exists. The direction of skewness of an operations' distribution is a necessary input to ASF–STC. Thus, a novel approach to determining the skewness of a distribution for small sample sizes is presented here. ASF–STC has an additional requirement of distribution information for each operation. The beta distribution is an ideal candidate here, as it is very flexible in shape. The literature on four‐parameter beta estimation is very limited, and their performance for small sample sizes is poor. STC was designed for low‐volume production, thus the estimation for small sample sizes is necessary here. This study presents a heuristic, based on the method of moments estimates for a beta distribution, that estimates the four parameters for a beta distribution with small sample size. Several computational results are provided to compare this heuristic to the best‐known procedure, with the heuristic found to perform better for the test problems considered. Copyright © 2002 John Wiley & Sons, Ltd.
A strategic assessment of six sigma
Authors: Goh T. N.
Published: October 2002

Six Sigma as a quality improvement framework has been gaining considerable attention in recent years. The hyperbole that often accompanied the presentation and adoption of Six Sigma in industry could lead to unrealistic expectations as to what Six Sigma is truly capable of achieving. In this paper, some strategic perspectives on the subject are presented, highlighting the potential and possible limitations of Six Sigma applications particularly in a knowledge‐based environment. Without delving into the mechanics of the subject in detail, the points raised could be useful to those deliberating on the appropriateness of Six Sigma to their respective organizations. Copyright © 2002 John Wiley & Sons, Ltd.
Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics
Authors: Quintão Andréa Dias , Coutinho Kaline , Canuto Sylvio
Published: October 2002

Density‐functional theory calculations using B3LYP/6‐31+G(d) are performed on the hydrogen bond interaction between methylene blue (MB+) and water to analyze the structure, binding energy and change in spectroscopic properties. The vibrational frequency observed in the region of 1200 cm−1is found to present the larger shift (+10 cm−1), and corresponds to the asymmetric in‐plane twist mode of CC bond of the central ring. The binding energy between MB+and water is calculated for three different isomers giving values varying between 3.1 and 5.1 kcal/mol, after correcting for basis‐set superposition error. The binding energy is also calculated using Hartree–Fock and other density‐functionals, such as B3P86/6‐31+G(d) and B3PW91/6‐31+G(d). In the most stable isomer considered, the water plays the role of the proton acceptor and the oxygen atom makes multiple hydrogen bonds with MB+. The stability of this isomer is also influenced by other electrostatic interaction between MB+and water. The influence of the complexation on the characteristic visible absorption band of MB+is analyzed using INDO/CIS. Overall, the results indicate that several hydrogen bonds can be formed and some present multiple bonds. However, they all seem to be numerically unimportant for the photochemistry of MB+in water. © 2001 Wiley Periodicals, Inc. Int J Quantum Chem, 2001
Atomic and molecular energies in terms of electrostatic potentials at nuclei
Authors: Politzer Peter , Lane Pat , Concha Monica C.
Published: October 2002

Several formulas, both exact and approximate, that relate atomic and molecular energies to electrostatic potentials at nuclei are discussed in terms of the relative contributions of the nuclear–electronic, nuclear–nuclear, and electronic–electronic interactions. These quantities and related ratios are evaluated at the density functional B3PW91/6‐311+G(3df,2pd) level for a group of 24 molecules. A modified version of an approximate molecular energy expression is tested and found to give improved results. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2002
Comparison of different atomic charge schemes for predicting pKavariations in substituted anilines and phenols*
Authors: Gross Kevin C. , Seybold Paul G. , Hadad Christopher M.
Published: October 2002

A number of different methods have been proposed for assigning partial charges to the atoms of a molecule, including both quantum chemical and empirical schemes. A reasonable expectation for any successful calculational scheme is that the atomic charges it produces should vary in a manner consistent with chemical intuition and, more specifically, that these variations should be correlated in a sensible way with experimental observations. Seven of the most popular atomic charge schemes (Bader's AIM chargesQAIM, electrostatic potential chargesQESP, GAPT chargesQGAPT, Gasteiger π chargesQGast, Löwdin chargesQLöw, Mulliken chargesQMul, and charges derived from natural population analysisQNPA) were tested for their ability to represent variations in the pKa's of 19 monosubstituted anilines and 19 monosubstituted phenols. In most cases the calculations were performed at the B3LYP/6‐311G** level of theory. For the substituted anilines, the amino nitrogen, anilinium proton, and total amino group charges were taken as representative regression parameters, and for the phenols, the phenolic hydrogen, phenoxide oxygen, and hydroxyl group charges were employed. Overall,QAIM,QLöw, andQNPAyielded the most successful correlations with the pKa's of these compounds, although for the phenol series,QGAPTandQMulalso yielded good results. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2002
Ab initio calculations of the NMR properties of the NH3 … HH2O complex
Authors: Janowski Tomasz , Jaszuński Michał
Published: October 2002

The shielding constants, nuclear quadrupole coupling constants, and spin–spin coupling constants are computed for the ammonia–water complex. Four structures of the complex are considered. A series of multiconfiguration self‐consistent field (MCSCF) wavefunctions is applied for the trans conformer to estimate the role of electron correlation, and a selected MCSCF function is next systematically used for all the other conformers. The largest changes of all the nuclear magnetic resonance (NMR) parameters with respect to the monomers are observed for the nuclei participating in the hydrogen bond, and they are similar for the trans and cis conformers. The parameter changes due to the interaction are significant also for both bifurcated structures of the complex, even though there is no hydrogen bond. The electron correlation effects are not negligible, in particular for the spin–spin coupling constants. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
Three‐center nuclear attraction, three‐center two‐electron Coulomb and hybrid integrals over B functions evaluated using the nonlinear S\documentclass{article}\pagestyle{empty}\begin{document}$\overline{D}$\end{document} transformation
Authors: Safouhi Hassan , Hoggan Philip
Published: October 2002

This work describes and applies the nonlinear \documentclass{article}\pagestyle{empty}\begin{document}$S\overline{D}$\end{document} transformation, recently developed by the first author, to accelerate the convergence of semi‐infinite integrals occurring in molecular structure electronic energy calculations. These energy terms must be evaluated precisely and quickly. The approach chosen involves expanding Slater type atomic orbital basis functions over B functions to exploit the compact Fourier transforms of B functions. The resulting integrals have been evaluated in previous work using the nonlinear D (due to Levin and Sidi) and \documentclass{article}\pagestyle{empty}\begin{document}$\overline{D}$\end{document} (due to Sidi) transformations and some improved nonlinear transformations HD and \documentclass{article}\pagestyle{empty}\begin{document}$H\overline{D}$\end{document} have been developed. These methods are precise and faster than alternatives for convergence acceleration of oscillatory integrals involved. In the present work a more recent, highly compact, and convenient nonlinear transformation \documentclass{article}\pagestyle{empty}\begin{document}$S\overline{D}$\end{document} is described and applied to the three‐center nuclear attraction integral common to ab initio and density functional theory work. Three‐center Coulomb and hybrid integrals which occur in ab initio self‐consistent field work are also evaluated. This approach is shown to represent a further substantial advance in efficiency and should lead to a definitive suite of ab initio Slater software. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
Atomic spin‐density polarization index and atomic spin‐density information entropy distance
Authors: Fuentealba P. , Melin Junia
Published: October 2002

It is shown that information theory concepts based on the Shanon entropy are useful to define indices yielding a quantitative measure of spin polarization. Numerical results for the ground state of all the atoms from He to Xe are presented. They were obtained by solving numerically the Kohn–Sham equations with two different approximations for the exchange–correlation functionals. The defined indices predict very nicely the periodical trends along the periodical table of elements. They are numerically great for atoms with the greater spin multiplicity and zero for closed‐shell atoms. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2002
A rapid screening method for routine congener‐specific analysis of polychlorinated biphenyls in human serum by high‐resolution gas chromatography with mass spectrometric detection
Authors: Turci Roberta , Angeleri Federica , Minoia Claudio
Published: October 2002

A screening method using gas chromatography/mass spectrometry in the single ion monitoring (SIM) mode for the routine congener‐specific analysis of polychlorinated biphenyls (PCBs) in human serum has been developed and validated. A fast procedure incorporating both liquid‐liquid and solid‐phase extraction was used for clean up and enrichment. Interday and intraday precision and accuracy were assessed for the 12 congeners having dioxin‐like activity and PCBs #180 and #170 by analyzing spiked samples on three subsequent days and using 13C12‐labelled analogues as internal standards. Furthermore, the relative errors for six non‐dioxin‐like congeners (PCBs #28, #52, #101, #138, #153 and #180) were measured by using certified reference materials, providing good accuracy at two different concentration levels. The limits of quantification and of detection were 0.5 and 0.2 µg/L in serum for each congener, respectively. The method allows the chromatographic separation of at least 35 congeners and can therefore be applied to the routine monitoring of the general population for both dioxin‐like and non‐dioxin‐like PCB congeners. Copyright © 2002 John Wiley & Sons, Ltd.
Investigation and correction of the gene‐derived sequence of glutenin subunit 1Dx2 by matrix‐assisted laser desorption/ionisation mass spectrometry
Authors: Cunsolo Vincenzo , Foti Salvatore , Saletti Rosaria , Gilbert Simon , Tatham Arthur S. , Shewry Peter R.
Published: October 2002

Direct matrix‐assisted laser desorption/ionisation time‐of‐flight mass spectrometry (MALDI‐TOFMS) analysis of a mixture of tryptic peptides was used to verify the gene‐derived amino acid sequence of the high molecular weight (HMW) subunit 1Dx2 of bread wheat. Analysis of the digest was performed by recording several MALDI mass spectra of the mixture at low, medium and high mass ranges, and optimising the matrix and the acquisition parameters for each mass range. This resulted in coverage of the whole sequence except for a short fragment T3 (3 amino acids), which was not detected. It also allowed the insertion of a Pro residue in position 59 to be identified. The results obtained provide evidence for the lack of a substantial level of glycosylation or other post‐translational modifications of subunit 1Dx2, and demonstrate that MALDI‐MS is the most useful method presently available for the direct verification of the gene‐derived sequences of HMW glutenin subunits and similar proteins. Copyright © 2002 John Wiley & Sons, Ltd.
Hydrogen/deuterium exchange of myoglobin ions in a linear quadrupole ion trap
Authors: Mao Dunmin , Ding Chuanfan , Douglas D. J.
Published: October 2002

The hydrogen/deuterium (H/D) exchange of gas‐phase ions of holo‐ and apo‐myoglobin has been studied by confining the ions in a linear quadrupole ion trap with D2O or CD3OD at a pressure of several mTorr. Apo‐myoglobin ions were formed by collision‐induced dissociation of holo‐myoglobin ions between the orifice and skimmer of the ion sampling system. The exchange takes place on a time scale of seconds. Earlier cross section measurements have shown that holo‐myoglobin ions can have more compact structures than apo‐myoglobin. Despite this, both holo‐myoglobin and apo‐myoglobin in charge states +8 to +14 are found to exchange nearly the same number of hydrogens (ca. 103) in 4 s. It is possible the ions fold or unfold to new conformations on the much longer time scale of the exchange experiment compared with the cross section measurements. Copyright © 2002 John Wiley & Sons, Ltd.
Evaluation of white‐rot fungi for the remediation of creosote‐contaminated soil
Authors: Lamar Richard T. , White Richard B. , Ashley Karl C.
Published: October 2002

Application of fungal‐based bioaugmentation was evaluated for the remediation of
creosote‐contaminated soil at a wood‐preserving site in West Virginia. Soil at the site contained
creosote‐range polycyclic aromatic hydrocarbons (PAHs) at concentrations in some areas that
exceed industrial risk‐based levels. Two white‐rot fungi (Pleurotus ostreatus and
Irpex lacteus) were evaluated for remediation effectiveness in a two‐month
bench‐scale treatability test. Both fungi produced similar results, with up to 67.3 percent degradation
of total PAHs in 56 days. Pilot‐scale testing was performed at the site using Pleurotus
ostreatus grown on two local substrate mixtures. During the 276‐day field trial, total PAHs were
degraded by up to 93.2 percent, with all individual PAHs except one achieving industrial risk‐based
concentrations. It was recommended that fungal‐based remediation be applied to all contaminated soil at
the site. © 2002 Wiley Periodicals, Inc.
Formation and characterization of thin films of H(CH2)xPO(OH)2 on polycrystalline zinc substrates
Authors: Sinapi F. , Forget L. , Delhalle J. , Mekhalif Z.
Published: October 2002

Monolayers of n‐pentanephosphonic or n‐tetradecanephosponic acids are obtained by immersion of mechanically polished zinc substrates in solutions of either absolute ethanol or a mixture of water/ethanol (25/75%). X‐ray photoelectron spectroscopy, contact angle and scanning Kelvin probe measurements indicate that both compounds lead to good‐quality monolayers and the longer alkyl chain n‐tetradecanephosponic acid molecules form the more densely packed films. However, the best films (n‐tetradecanephosponic acids) do not show any resistance to electrochemical assays (polarization curves in NaOH and NaCl). Copyright © 2002 John Wiley & Sons, Ltd.
Corrosion of brass in ultrapure water
Authors: Zhdan P. A. , Castle J. E.
Published: October 2002

Corrosion at the nano‐thickness level is significant in the heat exchangers of power stations because of the subsequent transport of released copper throughout the steam/water circuit. One the most significant factors determining the extent of corrosion is the level of dissolved oxygen. In the work to be described, samples of admiralty brass have been exposed to pure water at 95°C at different oxygen levels: the oxygen level is monitored at very low concentrations by use of the oxidation–reduction potential.

All samples were characterized by measurement of the surface roughness using atomic force microscopy as a function of exposure time, and it will be shown that there is an excellent correlation between surface topography and the release of metal ions to solution. Representative samples were analysed using XPS and it is shown that a higher copper release rate is usually associated with the appearance of cupric oxide on the surface. Copyright © 2002 John Wiley & Sons, Ltd.
Fine determination of interatomic distances on surface using extended energy‐loss fine structure (EELFS) data: peculiarities of the technique
Authors: Wainstein D. L. , Kovalev A. I.
Published: October 2002

For determination of interatomic distances on a surface we use spectra below the lines of backscattered electrons and below the Auger lines. In contrast to other authors, who record spectra in dN/dE mode for extended energy‐loss fine structure (EELFS) analysis, the integral N(E) mode is used with further filtering of the structure‐dependent oscillations by original software. The sequence of structure‐dependent oscillation extraction from the energy‐loss spectrum is presented, including the following main stages: synthesis of peak and inelastic background and detection of inelastic oscillations; normalization of the inelastic spectrum; recalculation of the spectrum to K‐space; and Fourier transformation.

Good agreement between theoretical and experimentally obtained interatomic distances for various systems (multicomponent grain boundary segregations in steels, hard diamond‐like coatings and films generated on the surface of cutting tools with engineered coatings) is observed. Detailed results of application of EELFS for investigation of the atomic structure of these systems are presented.

In particular, the results of EELFS analysis of hard amorphous hydrogenated carbon films show the ability of this method to resolve interatomic bonds of different types (sp, sp2, sp3, aromatic bonds). The ‘carbon–hydrogen’ distances are also determined. Copyright © 2002 John Wiley & Sons, Ltd.
Surface composition changes in GaN induced by argon ion bombardment
Authors: Kovač J. , Zalar A.
Published: October 2002

The wide‐bandgap GaN semiconductor has been used to fabricate efficient blue–green light‐emitting diodes, laser diodes and high‐power/high‐temperature electronic devices since the many problems regarding the life‐time characteristics were resolved in recent years. Knowledge of ion‐bombardment‐induced surface composition changes is important in quantitative AES/XPS analysis.

We investigated the dependence of preferential sputtering of components on ion energies and on the angle of incidence of argon ions. Thin films of GaN prepared on a smooth Si substrate and GaN single crystals were bombarded with argon ions of energy 0.5–5 keV at incidence angles of 10–72° with respect to the surface normal. The N KLL and Ga LMM AES signals were acquired after the steady‐state surface composition was reached. The results show that nitrogen is sputtered preferentially. This effect is more pronounced for higher ion energies and smaller incidence angles. The experimental results are discussed in the framework of models of preferential sputtering and compared with computer simulations. Copyright © 2002 John Wiley & Sons, Ltd.
Auger parameter studies of aluminium–transition metal alloys
Authors: Abel Marie‐Laure , Tsakiropoulos Panos , Watts John F. , Matthew James A. D.
Published: October 2002

Within a general study of transition metal (TM) alloys, the variation of the Auger parameters of Fe–10 at.% Al and Fe–50 at.% Al relative to the pure metal was determined. Initial‐ and final‐state Auger parameters were calculated and related to charge transfer calculations. Iron exhibits almost pure metal behaviour, particularly in Fe10Al, but Al core holes are more poorly screened than in Al metal. Charge transfer inferred from the final‐state Auger parameters suggests that Al carries a positive charge consistent with the electronegativity differences of Fe and Al. However, there is no evidence of Fe carrying a corresponding negative charge: furthermore, positive Al charge is inconsistent with the Al initial‐state parameter. This suggests, rather, that the Alsp–Fesd bonds in the alloys are less polarizable than Al bonds in the nearly free electron metal, a concept supported by the reduction in Al 2p plasmon satellite intensity on alloying and the increased plasmon energy associated with the enhanced valence electron density. Copyright © 2002 John Wiley & Sons, Ltd.