bluuebunny/crossref_metadata_2025 huggingface dataset:
Climate and the limits of permafrost: a zonal analysis
Authors: Smith M. W. , Riseborough D. W.
Published: August 2002

This paper defines the climatic and environmental conditions that determine the limits and continuity of permafrost occurrence, in the Canadian context. The analysis utilizes a functional model that links air, surface and permafrost temperature through seasonal surface transfer functions and subsurface thermal properties. The temperature of permafrost (TTOP) results from the interplay between the air temperature, the nival (snow) offset and the thermal offset. These offset values vary systematically and geographically with freezing and thawing indices, snow cover conditions and ground thermal properties. These effects are analysed by calculating offset and TTOP values using Canadian climate station data for air temperature and snowfall. Whilst permafrost is ultimately a climatic phenomenon, the ground thermal conductivity ratio, via the thermal offset, is shown to be the critical factor in determining the southernmost extent of (discontinuous) permafrost. In contrast, snow cover, via the nival offset, is the critical factor in determining the northern limit of discontinuous permafrost (i.e. southern limit of continuous permafrost). Calculated TTOP values increase gradually southwards towards the limit of permafrost occurrence, as the effect of a rising mean annual air temperature (MAAT) is counteracted by an increasing thermal offset. This results in a diffuse geographical transition in the disappearance of permafrost. In contrast, there is a more abrupt transition to continuous permafrost at the northern limit of the discontinuous zone, associated with geographical changes in snow cover and the associated nival offset. The transition from discontinuous to continuous permafrost occurs between a MAAT of −6° to −8°C. This may explain the air temperature limit for continuous permafrost cited by previous authors. Copyright © 2002 John Wiley & Sons, Ltd.
Assessment of inspiratory flow limitation in children with sleep‐disordered breathing by a nasal cannula pressure transducer system
Authors: Serebrisky Denise , Cordero Romulo , Mandeli John , Kattan Meyer , Lamm Carin
Published: August 2002

A nasal cannula pressure transducer system identifies inspiratory flow limitation and increased upper airway resistance in adults with sleep‐disordered breathing (SDB). The purpose of this study was to evaluate whether nasal cannula pressure (NCP) detects apneas and hypopneas as well as additional flow‐limited events associated with increased airway resistance in children. We studied NCP in 47 patients (ages 2–14 years) referred for SDB to a university‐based sleep disorders program during nocturnal polysomnography (NPSG).

During NPSG, airflow was assessed simultaneously by thermistor and NCP. There was a high correlation between apneas assessed by thermistor (T) and NCP (r = 0.90, P < 0.0001), and for hypopneas using these two methods (r = 0.94, P = 0.0001). Respiratory driving pressure was indirectly measured with an esophageal pressure catheter. Flow‐limited (flattened) NCP waves were associated with significantly higher driving pressure, indicating elevated upper airway resistance, compared to nonflow‐limited (rounded) waves during nonrapid eye movement (NREM) (P = 0.05) and rapid eye movement (REM) (P = 0.01) sleep. Patients were classified as either having obstructive sleep apnea syndrome (OSAS) or primary snoring, based on standard NPSG criteria. NCP identified additional respiratory events with a flattened contour (FC) not detected by thermistor.

NCP is a noninvasive device that identifies obstructive apneas and hypopneas as well as additional respiratory events associated with flow limitation in children. Pediatr Pulmonol. 2002; 33:380–387. © 2002 Wiley‐Liss, Inc.
Efficacy of nebulized epinephrine versus salbutamol in hospitalized infants with bronchiolitis
Authors: Bertrand Pablo , Araníbar Hector , Castro Edelmira , Sánchez Ignacio
Published: August 2002

We enrolled 30 infants (median age 3 months, range 1–12 months), hospitalized for bronchiolitis in a randomized double‐blind trial, to examine the efficacy and safety of nebulized epinephrine compared to salbutamol. Once admitted, patients were treated with either nebulized 0.5 mg of an 0.1% epinephrine solution (0.5 mL in 3.5 mL normal saline (NS)) or 2.5 mg nebulized salbutamol (0.5 mL in 3.5 mL NS). They were evaluated daily before and after nebulization until discharge. The outcome measures used were: baseline clinical score (based on respiratory rate, subcostal retraction, presence of wheezing, and O2 requirement), change in clinical O2 score after nebulization, duration of O2 therapy, and duration of hospitalization.

A significant improvement in the clinical score was noted on the first day of hospitalization in subjects receiving epinephrine (P = 0.025); that change was not seen in those on salbutamol (P = 0.6). Nebulized epinephrine decreased the baseline clinical score faster than salbutamol (P = 0.02), though on the fourth study day there was no significant difference between the two scores. On the fourth and fifth days of study there were more patients hospitalized in the salbutamol group than in the epinephrine group (P = 0.03 vs. P = 0.025). No adverse effects were associated with nebulized therapy.

We conclude that nebulized epinephrine is a more effective agent than salbutamol in the initial treatment of bronchiolitis and is equally safe. Pediatr Pulmonol. 2001; 31:284–288. © 2001 Wiley‐Liss, Inc.
Renal failure and vestibular toxicity in an adolescent with cystic fibrosis receiving gentamicin and standard‐dose ibuprofen
Authors: Scott Christy S. , Retsch‐Bogart George Z. , Henry Marianna M.
Published: August 2002

Gentamicin and standard‐dose ibuprofen were administered to an adolescent with cystic fibrosis who developed renal failure and severe vestibulotoxicity. A contributing factor was possible suboptimal intravascular volume status. Because of the potential severity of this drug interaction, hydration status and renal and vestibular functions should be closely monitored in patients receiving ibuprofen and intravenous aminoglycosides concomitantly. Pediatr Pulmonol. 2001; 31:314–316. © 2001 Wiley‐Liss, Inc.
Anti‐inflammatory effects of macrolides in lung disease*
Authors: Jaffé Adam , Bush Andrew
Published: August 2002

During the past five decades there has been increasing interest in the potential anti‐inflammatory effects of macrolide antibiotics. Low‐dose macrolide therapy has dramatically increased survival in patients with diffuse panbronchiolitis, a disease with many similarities to cystic fibrosis (CF). This has led to further investigation into the potential use of macrolides in chronic lung diseases with an inflammatory component. This review summarizes the proposed anti‐inflammatory mechanisms for this group of antibiotics, and examines the effect of macrolides on modulation of the inflammatory pathways, neutrophil function, bronchoconstriction, Pseudomonas biofilm, mucus rheology, bacterial adherence, and multidrug‐resistant protein. It discusses the current status of clinical studies in children with CF, bronchiectasis, and asthma. While there are much in vitro data for different proposed anti‐inflammatory effects, randomized controlled clinical trials in children with CF, bronchiectasis, and asthma are still just beginning. The benefits and potential side effects need to be determined before routine use can be advised. Pediatr Pulmonol. 2001; 31:464–473. © 2001 Wiley‐Liss, Inc.
Insulin‐like growth factor binding protein‐3 induces early apoptosis in malignant prostate cancer cells and inhibits tumor formation in vivo
Authors: Devi Gayathri R. , Sprenger Cynthia C. , Plymate Stephen R. , Rosenfeld Ron G.
Published: August 2002

BACKGROUND

Insulin‐like growth factor binding protein (IGFBP‐3) levels are significantly reduced in malignant prostate epithelial cells. In this study, we evaluated the role of endogenous IGFBP‐3 on prostate cancer cell growth and tumorigenesis.

METHODS

IGFBP‐3 was re‐expressed by stable transfection of human IGFBP‐3 cDNA in a model of human prostate cancer, M12, a malignant subline in which IGFBP‐3 levels are undetectable in comparison to the parent epithelial cell, P69. Effect of IGFBP‐3 re‐expression (M12‐BP‐3) on growth kinetics, morphology, propensity to apoptosis, and in vivo tumor formation were studied.

RESULTS

M12‐BP‐3 cells secreted IGFBP‐3 and growth arrested at a cell density that was threefold lower than control cells and this was associated with marked alteration in cell morphology. Control cells when grown in conditioned media secreted by M12‐BP‐3 also showed altered morphology compared to when cultured in IGFBP‐3‐immunodepleted conditioned media. The M12‐BP‐3 clones showed altered mitochondrial membrane potential, increased PARP cleavage, increase in sub‐G1 peak, decreased levels of neuron specific enolase, and decreased tumor formation in athymic, nude mice.

CONCLUSIONS

These data suggest that IGFBP‐3 induces early apoptosis and has potential tumor suppressive effect in prostate cancer. Prostate 51: 141–152, 2002. © 2002 Wiley‐Liss, Inc.
A potential autocrine pathway for growth hormone releasing hormone (GHRH) and its receptor in human prostate cancer cell lines
Authors: Chopin Lisa K. , Herington Adrian C.
Published: August 2002

Background

Recent studies have shown that GHRH antagonists inhibit prostate tumour growth and IGF‐II production both in vivo and in vitro. The mechanism underlying these observations is unknown, but may involve an interaction with a prostatic GHRH receptor (GHRH‐R), raising the possibility of an autocrine pathway for the GHRH axis in the prostate.

Methods

GHRH and GHRH‐R mRNA expression was examined by RT‐PCR in human prostate cancer cell lines, and the authenticity of PCR products was confirmed by Southern analysis and cDNA sequencing. Immunohistochemical techniques were used to examine the expression of GHRH protein in prostate cancer cell lines.

Results

GHRH‐R (mRNA) and GHRH (mRNA and protein) are co‐expressed in the ALVA‐41, DU145, LNCaP and PC3 human prostate cancer cell lines.

Conclusions

These observations suggest the presence of an intact prostatic GHRH autocrine pathway which may stimulate prostate cell proliferation. This pathway may be disrupted by GHRH antagonists. Prostate 49:116–121, 2001. © 2001 Wiley‐Liss, Inc.
Monophyly of class I aminoacyl tRNA synthetase, USPA, ETFP, photolyase, and PP‐ATPase nucleotide‐binding domains: implications for protein evolution in the RNA world
Authors: Aravind L. , Anantharaman Vivek , Koonin Eugene V.
Published: August 2002

Protein sequence and structure comparisons show that the catalytic domains of Class I aminoacyl‐tRNA synthetases, a related family of nucleotidyltransferases involved primarily in coenzyme biosynthesis, nucleotide‐binding domains related to the UspA protein (USPA domains), photolyases, electron transport flavoproteins, and PP‐loop‐containing ATPases together comprise a distinct class of α/β domains designated the HUP domain afterHIGH‐signature proteins,UspA, andPP‐ATPase. Several lines of evidence are presented to support the monophyly of the HUP domains, to the exclusion of other three‐layered α/β folds with the generic “Rossmann‐like” topology. Cladistic analysis, with patterns of structural and sequence similarity used as discrete characters, identified three major evolutionary lineages within the HUP domain class: the PP‐ATPases; the HIGH superfamily, which includes class I aaRS and related nucleotidyltransferases containing the HIGH signature in their nucleotide‐binding loop; and a previously unrecognized USPA‐like group, which includes USPA domains, electron transport flavoproteins, and photolyases. Examination of the patterns of phyletic distribution of distinct families within these three major lineages suggests that the Last Universal Common Ancestor of all modern life forms encoded 15–18 distinct α/β ATPases and nucleotide‐binding proteins of the HUP class. This points to an extensive radiation of HUP domains before the last universal common ancestor (LUCA), during which the multiple class I aminoacyl‐tRNA synthetases emerged only at a late stage. Thus, substantial evolutionary diversification of protein domains occurred well before the modern version of the protein‐dependent translation machinery was established, i.e., still in the RNA world. Proteins 2002;48:1–14. © 2002 Wiley‐Liss, Inc.
Prediction of coordination number and relative solvent accessibility in proteins
Authors: Pollastri Gianluca , Baldi Pierre , Fariselli Pietro , Casadio Rita
Published: August 2002

Knowing the coordination number and relative solvent accessibility of all the residues in a protein is crucial for deriving constraints useful in modeling protein folding and protein structure and in scoring remote homology searches. We develop ensembles of bidirectional recurrent neural network architectures to improve the state of the art in both contact and accessibility prediction, leveraging a large corpus of curated data together with evolutionary information. The ensembles are used to discriminate between two different states of residue contacts or relative solvent accessibility, higher or lower than a threshold determined by the average value of the residue distribution or the accessibility cutoff. For coordination numbers, the ensemble achieves performances ranging within 70.6–73.9% depending on the radius adopted to discriminate contacts (6Å–12Å). These performances represent gains of 16–20% over the baseline statistical predictor, always assigning an amino acid to the largest class, and are 4–7% better than any previous method. A combination of different radius predictors further improves performance. For accessibility thresholds in the relevant 15–30% range, the ensemble consistently achieves a performance above 77%, which is 10–16% above the baseline prediction and better than other existing predictors, by up to several percentage points. For both problems, we quantify the improvement due to evolutionary information in the form of PSI‐BLAST‐generated profiles over BLAST profiles. The prediction programs are implemented in the form of two web servers, CONpro and ACCpro, available at http://promoter.ics.uci.edu/BRNN‐PRED/. Proteins 2002;47:142–153. © 2002 Wiley‐Liss, Inc.
Structural analysis, identification, and design of calcium‐binding sites in proteins
Authors: Yang Wei , Lee Hsiau‐Wei , Hellinga Homme , Yang Jenny J.
Published: August 2002

Assigning proteins with functions based on the 3‐D structure requires high‐speed techniques to make a systematic survey of protein structures. Calcium regulates many biological systems by binding numerous proteins in different biological environments. Despite the great diversity in the composition of ligand residues and bond angles and lengths of calcium‐binding sites, our structural analysis of 11 calcium‐binding sites in different classes of proteins has shown that common local structural parameters can be used to identify and design calcium‐binding proteins. Natural calcium‐binding sites in both EF‐hand proteins and non‐EF‐hand proteins can be described with the smallest deviation from the geometry of an ideal pentagonal bipyramid. Further, two different magnesium‐binding sites in parvalbumin and calbindinD9K can also be identified using an octahedral geometry. Using the established method, we have designed de novo calcium‐binding sites into the scaffold of non‐calcium‐binding proteins CD2 and Rop. Our results suggest that it is possible to identify calcium‐ and magnesium‐binding sites in proteins and design de novo metal‐binding sites. Proteins 2002;47:344–356. © 2002 Wiley‐Liss, Inc.
Is it a paradox or misinterpretation?
Authors: Cai Yu‐Dong
Published: August 2002

The paradox recently raised by Wang and Yuan (Proteins 2000;38:165–175) in protein structural class prediction is actually a misinterpretation of the data reported in the literature. The Bayes decision rule, which was deemed by Wang and Yuan to be the most powerful method for predicting protein structural classes based on the amino acid composition, and applied by these investigators to derive the upper limit of prediction rate for structural classes, is actually completely the same as the component‐coupled algorithm proposed by previous investigators (Chou et al., Proteins 1998;31:97–103). Owing to lack of a complete or near‐complete training data set, the upper limit rate thus derived by these investigators might be both invalid and misleading. Clarification of these points will further stimulate investigation of this interesting area. Proteins 2001;43:336–338. © 2001 Wiley‐Liss, Inc.
Effects of tebuconazole on morphology, structure, cell wall components and trichothecene production of Fusarium culmorum in vitro
Authors: Kang Zhensheng , Huang Lili , Krieg Ulrich , Mauler‐Machnik Astrid , Buchenauer Heinrich
Published: August 2002

The effects of tebuconazole, a systemic fungicide, on the morphology, structure, cell wall components and toxin production of Fusarium culmorum were investigated in vitro. Treatment was by application of four filter paper strips (0.75 cm × 5.0 cm) soaked in 20 µg ml −1 fungicide placed around a point inoculum in Petri dishes. Mycelial growth was strongly inhibited by fungicide treatment. Scanning electron microscopic observations showed that the fungicide caused irregular swelling and excessive branching of hyphae. The morphological changes induced by the fungicide at the ultrastructural level included considerable thickening of the hyphal cell walls, excessive septation, the formation of the incomplete septa, extensive vacuolisation, accumulation of lipid bodies and progressing necrosis or degeneration of the hyphal cytoplasm. Non‐membrane inclusion bodies were often detected in the hyphal cytoplasm. Furthermore, the formation of new hyphae (daughter hyphae) inside collapsed hyphal cells was common following treatment. The daughter hyphae also displayed severe alterations such as irregular thickening of the cell walls and necrosis of the cytoplasm. Using cytochemical techniques, the labelling densities of chitin and β‐1,3‐glucan in the cell walls of the fungicide‐treated hyphae were more pronounced than in those of the control hyphae. Moreover, immunogold labelling with antiserum against deoxynivalenol (DON) revealed that Fusarium toxin DON was localized in the cell walls, cytoplasm, mitochondria and vacuoles of the hyphae from the control and the fungicide treatment, but the labelling density in the fungicide‐treated hyphae decreased dramatically compared with the control hyphae, indicating that tebuconazole reduced Fusarium toxin production of the fungus.

© 2001 Society of Chemical Industry
Insecticidal and binding activities of N3‐substituted imidacloprid derivatives against the housefly Musca domestica and the α‐bungarotoxin binding sites of nicotinic acetylcholine receptors
Authors: Nishiwaki Hisashi , Nakagawa Yoshiaki , Ueno Tamio , Kagabu Shinzo , Nishimura Keiichiro
Published: August 2002

N3‐substituted imidacloprid congeners containing C1–C6 alkyl groups or various analogous groups, and their corresponding nitromethylene analogues, were used in this study. Their insecticidal activity against the housefly, Musca domestica, and their binding activity toward the nicotinic acetylcholine receptor were determined. The insecticidal test was conducted using the synergists piperonyl butoxide and propargyl propyl phenylphosphonate. The binding assay was performed with housefly head membrane preparations using radio‐labelled α‐bungarotoxin. Both insecticidal and binding activities were drastically lowered by the introduction of alkyl/allyl groups at the imidazolidine NH sites of both nitroimino and nitromethylene compounds. The binding activity of N3‐substituted nitromethylene analogues was much higher than that of the corresponding nitroimino analogues. However, the insecticidal activity of both series of compounds with a given substituent was nearly identical. The insecticidal activity correlated positively with the binding activity after taking into account the structural difference of the nitroimino and nitromethylene moieties and a structural feature of the N3‐substituents.

© 2001 Society of Chemical Industry
Lysimeter study to investigate the effect of rainfall patterns on leaching of isoproturon
Authors: Beulke Sabine , Brown Colin D , Fryer Christopher J , Walker Allan
Published: August 2002

The influence of five rainfall treatments on water and solute leaching through two contrasting soil types was investigated. Undisturbed lysimeters (diameter 0.25 m, length 0.5 m) from a sandy loam (Wick series) and a moderately structured clay loam (Hodnet series) received autumn applications of the radio‐labelled pesticide isoproturon and bromide tracer. Target rainfall plus irrigation from the end of November 1997 to May 1998 ranged from drier to wetter than average (235 to 414  mm); monthly rainfall was varied according to a pre‐selected pattern or kept constant (triplicate lysimeters per regime). Leachate was collected at intervals and concentrations of the solutes were determined. Total flow (0.27–0.94 pore volumes) and losses of bromide (3–80% of applied) increased with increasing inputs of water and were larger from the Wick sandy loam than from the Hodnet clay loam soil. Matrix flow appeared to be the main mechanism for transport of isoproturon through the Wick soil whereas there was a greater influence of preferential flow for the Hodnet lysimeters. The total leached load of isoproturon from the Wick lysimeters was 0.02–0.26% of that applied. There was no clear variation in transport processes between the rainfall treatments investigated for this soil and there was an approximately linear relationship (r2 = 0.81) between leached load and total flow. Losses of isoproturon from the Hodnet soil were 0.03–0.39% of applied and there was evidence of enhanced preferential flow in the driest and wettest treatments. Leaching of isoproturon was best described by an exponential relationship between load and total flow (r2 = 0.62). A 45% increase in flow between the two wettest treatments gave a 100% increase in leaching of isoproturon from the Wick soil. For the Hodnet lysimeters, a 35% increase in flow between the same treatments increased herbicide loss by 325%.

© 2001 Society of Chemical Industry
Nicotinic acetylcholine receptor binding of imidacloprid‐related diaza compounds with various ring sizes and their insecticidal activity against Musca domestica
Authors: Kagabu Shinzo , Nishiwaki Hisashi , Sato Kazuyuki , Hibi Manabu , Yamaoka Nahato , Nakagawa Yoshiaki
Published: August 2002

Fifteen 5‐substituted 1‐(6‐chloro‐3‐pyridylmethyl)‐2‐nitromethylene‐1,3‐diazacyclohexanes and three other related compounds having a five‐ or seven‐membered ring were synthesized and their biological activities were measured in vivo and in vitro. The insecticidal (in vivo) activity was evaluated against houseflies Musca domestica L under synergistic conditions with propargyl propyl phenyl phosphonate and piperonyl butoxide. The binding activity of each compound to nicotinic acetylcholine receptor in vitro was measured using [125I]α‐bungarotoxin. The insecticidal activities of the unsubstituted diazacyclohexane analogues were slightly higher than those of the imidazolidine analogues, but the enlargement of ring size to diazacycloheptane lowered the activity. Substitution of 1,3‐diazacyclohexane or imidazolidine rings was not generally favourable for the activity, but the unsubstituted 1,3‐diazacyclohexane analogue showed the highest binding activity. Ring substitutions and ring enlargement decreased the activity 100–30 000‐fold.

© 2002 Society of Chemical Industry
A Novel Peptide with ribonuclease and translation‐inhibitory activities from fruiting bodies of the oyster mushroom Pleurotus ostreatus
Authors: Ye X. Y. , Ng T. B.
Published: August 2002

From the fresh fruiting bodies of the oyster mushroom a peptide with a molecular weight of 9 kDa and demonstrating a novel N‐terminal sequence GPCYLVAFYESSGRR was isolated. The isolation procedure involved ion exchange chromatography on CM‐Sepharose and Mono S. The peptide was adsorbed on both types of chromatographic media. The peptide demonstrated a ribonuclease activity of 650 U/mg toward yeast transfer RNA. It inhibited cell‐free translation in a rabbit reticulocyte lysate system with an IC50 of 15 nM. Copyright © 2002 European Peptide Society and John Wiley & Sons, Ltd.
Practical solutions to soil–structure interaction problems
Authors: Small John C
Published: August 2002

Interaction of a structure and its foundation with the soil is discussed in this paper, and some of the numerical and analytical methods that have been developed for the analysis of raft and piled raft foundations are presented. It is shown that the use of simple spring models for the soil behaviour can lead to erroneous result and it is recommended that their use should be discontinued. Simple finite layer techniques are also examined, and results are compared with those of three‐dimensional finite element techniques. It is shown that the finite layer techniques can yield good results for displacements in the raft and for moments induced into the piles. It is also shown that the use of thin plate theory for the raft can give good results for thick rafts and can be used for raft and piled raft analysis. The effect of including the stiffness of the superstructure in the analysis of the foundation is examined, and it is shown that the type of structure and its stiffness can have an effect on the deformation of the foundation. Finally, an analysis of an instrumented structure is carried out, and it is shown that reasonably good predictions of the behaviour of the foundation can be made through the use of soil‐structure interaction theory and finite layer techniques.
Stimulation of protein biosynthesis in rat hepatocytes by extracts of Momordica charantia
Authors: Oyedapo O. O. , Araba B. G.
Published: August 2002

The in vivo effect of the administration of extracts of Momordica charantia on certain biochemical parameters of Sprague‐Dawley rats was investigated. It was observed that there was an increase in muscle and liver protein levels, while there was a reduction in the levels of brain protein, muscle and liver glycogen. The activities of plasma L‐alanine transaminase and alkaline phosphatase were reduced. The L‐aspartate transaminase and adenosine triphosphatase activities were slightly elevated in whole plant extract treated rats while the L‐aspartate transaminase was unaffected by the ethanol extract but reduced the adenosine triphosphatase activity. Copyright © 2001 John Wiley & Sons, Ltd.
Chemopreventive activity ofWithania somnifera in experimentally induced fibrosarcoma tumours in Swiss albino mice
Authors: Prakash Jai , Gupta S. K. , Kochupillai V. , Singh N. , Gupta Y. K. , Joshi S.
Published: August 2002

The current experimental work deals with the chemopreventive studies of a hydroalcoholic extract of Withania somnifera roots, against 20‐methylcholanthrene induced fibrosarcoma tumours in Swiss albino mice. A single subcutaneous injection of 200 μg 20‐methylcholanthrene in 0.1 mL of dimethylsulphoxide into the thigh region of mice produced a high incidence (96%) of tumours. Oral treatment of animals with 400 mg/kg body weight of Withania somnifera extract (one week before injecting 20‐methylcholanthrene and continued until 15 weeks thereafter) significantly reduced the tumour incidence, tumour volume and enhanced the survival of the mice, compared with 20‐methylcholanthrene injected mice. The tumour incidence was also delayed in the treatment group when compared with 20‐methylcholanthrene injected mice. Liver biochemical parameters revealed a significant modulation of reduced glutathione, lipid peroxides, glutathione‐S‐transferase, catalase and superoxide dismutase in extract treated mice compared with 20‐methylcholanthrene injected mice. The mechanism of chemopreventive activity of Withania somnifera extract may be due to its antioxidant and detoxifying properties. Copyright © 2001 John Wiley & Sons, Ltd.
Influence of Terminalia chebula on dermal wound healing in rats
Authors: Suguna Lonchin , Singh Surjeet , Sivakumar Pitchumani , Sampath Padmavathi , Chandrakasan Gowri
Published: August 2002

The effects of topical administration of an alcohol extract of the leaves of an evergreen plant, Terminalia chebula, on the healing of rat dermal wounds, in vivo, was assessed. T. chebula treated wounds healed much faster as indicated by improved rates of contraction and a decreased period of epithelialization. Biochemical studies revealed a significant increase in total protein, DNA and collagen contents in the granulation tissues of treated wounds. The levels of hexosamine and uronic acid in these tissues, also increased up to day 8 post‐wounding. Reduced lipid peroxide levels in treated wounds, as well as ESR measurement of antioxidant activity by DPPH radical quenching, suggested that T. chebula possessed antioxidant activities. The tensile strength of tissues from extract‐treated incision wounds increased by about 40%. In addition, T. chebula possessed antimicrobial activity and was active largely against Staphylococcus aureus and Klebsiella. These results strongly document the beneficial effects of T. chebula in the acceleration of the healing process. Copyright © 2002 John Wiley & Sons, Ltd.
In vitro Inhibition of HHV‐6 replication by sophocarpines
Authors: Qavi Hamida B. , Wyde Philip R. , Khan Mushtaq A.
Published: August 2002

The virostatic activity of sophocarpines and gancyclovir (GCV) was tested using HHV‐6 Z29 strain and Molt‐3 cells. The cytotoxic (IC50) and the antiviral (ED50) values were first experimentally determined and selective indices (SI) were then calculated. The SI values for sophocarpines 1 and 2 and GCV were in the order 184, 183, and 23, respectively. Though preliminary, these findings indicate that sophocarpines have the potential to inhibit HHV‐6 replication. Copyright © 2002 John Wiley & Sons, Ltd.
Testing dispersion effects from general unreplicated fractional factorial designs
Authors: Wang P. C.
Published: August 2002

Continuous improvement of the quality of industrial products is an essential factor in modern‐day manufacturing. The investigation of those factors that affect process mean and process dispersion (standard deviation) is an important step in such improvements. Most often, experiments are executed for such investigations. To detect mean factors, I use the usual analysis of variance on the experimental data. However, there is no unified method to identify dispersion factors. In recent years several methods have been proposed for identifying such factors with two levels. Multilevel factors, especially three‐level factors, are common in industrial experiments, but we lack methods for identifying dispersion effects in multilevel factors. In this paper, I develop a method for identifying dispersion effects from general fractional factorial experiments. This method consists of two stages. The first stage involves the identification of mean factors using the performance characteristic as the response. The second stage involves the computation of a dispersion measure and the identification of dispersion factors using the dispersion measure as the response. The sequence for identifying dispersion factors is first to test the significance of the total dispersion effect of a factor, then to test the dispersion contrasts of interest, which is a method similar to the typical post hoc testing procedure in the ANOVA analysis. This familiar approach should be appealing to practitioners. Copyright © 2001 John Wiley & Sons, Ltd.
Comparing methods for the multi‐response design problem
Authors: Kros John F. , Mastrangelo Christina M.
Published: August 2002

One approach to solving multiple response engineering problems is to combine the individual responses into one unifying objective. In tility theory, several characteristics are used to compare and contrast multiple objective techniques. These are risk aversion, marginal rates of substitution, and the relationship of the responses in the combined function. Perhaps unknown to the user, multiple response techniques carry strong assumptions regarding these characteristics. This paper investigates four commonly‐used multiple objective techniques and demonstrates that each method contains assumptions about these characteristics which are not intuitively evident to a user. Copyright © 2001 John Wiley & Sons, Ltd
Statistical monitoring performance for startup operations in a feedback control system
Authors: Nembhard Harriet Black , Mastrangelo Christina M. , Kao Ming Shu
Published: August 2002

Previously, it has been held that statistical process control (SPC) and engineering process control (EPC) were two distinct domains for process improvement. However, we specifically consider the impact for integrating the two approaches on a first‐order dynamic system with ARIMA disturbances. We show how to model and analyze this system over a range of practical conditions. Our work results in a set of response surfaces that characterize the performance of the integrated design. We also compare these results to the case where the SPC and EPC policies are applied separately. In general, we find that the EPC approach performs best in terms of minimizing error, but that we can reduce the number and magnitude of adjustments using the integrated monitoring and control approach. This work also further supports our earlier findings that the integrated design is effective on complex dynamic systems during the initial transient or startup period. Copyright © 2001 John Wiley & Sons, Ltd.
An investigation of noise factor effects in parameter design
Authors: Parkinson D. B.
Published: August 2002

Parameter design aims to determine nominal values of a set of design parameters so as to minimize variability in one or more key performance measures, in the presence of uncertainties in the design parameters, whilst maintaining the required nominal (design point) performance and the overall design concept. A theoretical analysis of some aspects of parameter design and of some related approximate methods is carried out and the results studied with the aim of determining the effect of changes in the magnitudes of the uncertainties in the design parameters on the resulting values of nominal parameter values in the optimum design. It is shown that there is reason to expect that, allowing for the effects of constraints, a given parameter design would be robust against overall changes, by a constant factor, in the parameter uncertainties but not in the presence of changes in individual parameter uncertainties, or by numerous such changes when the change factor varies between individual parameters. Some numerical results are obtained for problems in beam design and are shown to support the above assertions. The results imply that nominal values in a previously determined robust design may continue to be valid when parameter tolerances change, provided such changes are by the same factor for all free design parameters, i.e. those not fixed on a constraint boundary. Copyright © 2002 John Wiley & Sons, Ltd.
Improving the energies of approximate wave functions using the concepts of density functional theory
Authors: Pearson Ralph G.
Published: August 2002

A simple method, derived from DFT, for improving the energy of a trial density is modified for the case of atoms. It is assumed that errors in the interelectronic repulsion are the only significant ones. The errors in the energies of single‐ζ Slater orbitals for the atoms from He to Ne are reduced an average factor of 21. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Erratum: On equilibrium intensive thermodynamic properties of composed p‐particles in many‐body systems*
Authors: Bochicchio Roberto C. , Alcoba Diego R.
Published: August 2002

Equilibrium intensive thermodynamic properties of p‐particles (p‐ons), i.e., composed particles formed by few particles of the same nature such as fermion or boson pairs (p=2), trios (p=3), etc., are investigated. The relation of the p‐particle correlation functions to its p‐hole counterparts and an existing covariant structure in the hierarchy of the p‐particle correlation functions allow these generalized intensive properties to be properly defined and characterized. The connection between these generalized properties of the composed objects and those of the components is also derived. An explicit derivation of the chemical potential for pairs and its generalization to p‐particles is performed. Such results are further extended to any intensive property. Finally, the present development allows some previous results to be clearly interpreted thus yielding an important support for our theory. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Calculation of a power spectrum and definition of wave functions of an ion Cr3+ in antiferromagnetic crystal Cr2O3 in the model of a crystalline field
Authors: Nikiforov I. S. , Filippov D. A.
Published: August 2002

The antiferromagnetic crystal Cr2O3 contains magnetoactive ions Cr3+ and has C3v local symmetry. In this crystal exist cross‐effects, for example linear magnetoelectric effect and others. It is necessary to know the energy levels and wave functions of an ion Cr3+ exact simulation of this effect. In the present paper the problem of calculation of the crystalline field potential is solved in the single‐ion model. For Cr2O3 the splitting of energy levels are determined and wave functions for ground and exited states are calculated. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisited
Authors: Xu Z. R. , Varandas A. J. C.
Published: August 2002

So far, most studies of the geometric phase effect have presumed that the phase is path‐independent; hence, one must supply another restriction concerning the boundary condition on the nuclear wave functions when dealing with nonsymmetric isotopomers of X3 systems. We report calculations of the vibrational spectra of HD2 using a recently proposed generalized Born–Oppenheimer (GBO) formalism. The calculations demonstrate that there are significant differences between the results calculated from the present GBO method and those based on the preceding presumption. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 279–285, 2001
Substitution effects on the molecular structures and the longitudinal molecular polarizabilities of all‐trans polyacetylene oligomers of increasing size
Authors: Zhu Weihua , Wu Guo‐Shi , Jiang Yuansheng
Published: August 2002

AM1 calculations have been performed on all‐trans polyacetylene (PA) oligomers with an increasing number of unit cells to study the effect of donor or acceptor groups capped at opposite ends of PA chains, substituents included in the monomers, substituents' number and position in the monomers, on the molecular structures, and the static longitudinal polarizabilities (αL) and second‐order hyperpolarizabilities (γL). Substitution of CH3, Cl, or F group at opposite ends of an oligomer results in an increase of αL and γL, but the substitution effects on ΔαL(N) and ΔγL(N) are very small. The asymptotic limit values are unaffected by the substitution. F substituent included in the monomer of an oligomer enhances the ΔαL(N) and ΔγL(N) values, especially at large N, but including monomers with CH3 or Cl substituents substantially reduces the ΔαL(N) and ΔγL(N) values. We alter the number of F substituents included in the monomers of oligomers and find that including two F substituents in the monomer leads to the larger enhancement of ΔγL(N). The effect of F substituents' position in the monomers of oligomers on ΔαL and ΔγL is obvious. The results may be helpful for the design of new materials for applications in nonlinear optics, particularly in the area of poled polymer films. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
High‐level ab initio predictions of CO2N2O structure
Authors: Valdés H. , Rayón V. M. , Sordo J. A.
Published: August 2002

Ab initio calculations using MPn, QCISD, QCISD(T), and CCSD(T) methodologies and cc‐pVDZ, aug‐cc‐pVDZ, and cc‐pVTZ correlation‐consistent basis sets were carried out to determine the most stable structure of the CO2N2O van der Waals system. Rovibrational absorption and microwave spectroscopic constants are consistent with an approximately slipped parallel structure, but the experimental data cannot determine the orientation of N2O in the dimer. MPn and QCI methods lead to contradictory predictions. The QCI most stable structure, with the oxygen atom of N2O nearly over the carbon atom of CO2, is consistent with the experimental data. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 84: 78–85, 2001
Structural motifs in α‐pyridyl‐ and α‐furylcinnamic acid assemblies— A molecular modeling study
Authors: Pálinkó I. , Körtvélyesi T.
Published: August 2002

The aggregation properties of stereoisomeric 2‐(3′‐furyl)‐3‐phenylpropenoic acids (FU3E, FU3Z, α‐furylcinnamic acids) and 2‐(4′‐pyridyl)‐3‐phenylpropenoic acids (PY4E, PY4Z, α‐pyridylcinnamic acids) were studied by the PM3 semiempirical quantum chemical method. Calculations revealed that (aromatic)CHN(O) hydrogen bonds made possible the attachment of dimer units; thus, virtually infinite chains can be built out of FU3Z, PY4E, and PY4Z. The energy‐minimized structure had zig‐zag configuration. PY4Z dimers allowed the formation of ribbonlike network; however, the number of structural units could not be increased infinitely. One of the furyl derivatives (FU3E) could not be stabilized either in the ribbon or the chain form; however, (aromatic)CHπ or (aromatic)π(aromatic)π interactions contribute to the packing pattern of the two dimers. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem 84: 269–275, 2001
The one‐particle Green function—Revisited
Authors: Winkler Peter , Dai Song‐Tao
Published: August 2002

Based on the newly developed multichannel propagator theory for nonelectronic projectiles by Cederbaum and Winkler, the theory of the elastic, one‐particle propagator for electron projectiles has been revisited and formulated in the new framework. In the inelastic propagator theory, the contributions of all possible scattering channels are formally included and, as a result, closed sets of equations can be developed for both the advanced and retarded parts of the inelastic propagator. Furthermore, although the association of exact optical potentials with inelastic propagators has been established for nonelectronic projectiles, the same has not yet been achieved for electronic projectiles. In an early landmark study, Bell and Squires have shown the existence of an exact optical potential associated with the elastic electron propagator. The present article studies the same problem as it presents itself as the restriction of the inelastic propagator theory to the elastic case. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
A novel arsenical in clam kidney identified by liquid chromatography/electrospray ionisation mass spectrometry
Authors: Francesconi Kevin A. , Edmonds John S.
Published: August 2002

Kidneys of clams of the genus Tridacna accumulate metabolic products from symbiotic unicellular algae that grow in the mantles of the clams. These metabolites include organoarsenic compounds that are biosynthesised by algae from arsenate in seawater. The arsenic compounds in aqueous extracts of the kidney of the giant clam T. derasa were investigated by liquid chromatography/electrospray ionisation mass spectrometry. About 50% of the water‐soluble arsenic was present as dimethylarsinoylribosides and dimethylarsinate which are common algal metabolites. The major compound in the kidney (50% of water‐soluble arsenic) was identified as a 5‐dimethylarsinoyl‐2,3,4‐trihydroxycarboxylic acid, a new natural product. Copyright © 2001 John Wiley & Sons, Ltd.
Characterization and sequence confirmation of unnatural amino acid containing peptide libraries using electrospray ionization mass spectrometry
Authors: Rozenski Jef , Chaltin Patrick , Aerschot Arthur Van , Herdewijn Piet
Published: August 2002

The content of 24 12‐membered heptapeptide libraries was investigated using capillary liquid chromatography coupled with an electrospray ionization quadrupole orthogonal acceleration time‐of‐flight mass spectrometer. Adjustment of the chromatographic parameters led to the separation of most of the components. Extraction of the [M + 2H]2+ ions allowed us to demonstrate the presence of all expected species in the library and to evaluate their relative abundance in the mixture. Rapid sequence confirmation was achieved by subtraction of product ion spectra, a way to eliminate common ions and to simplify the spectra for interpretation. This technique can also easily be applied to other libraries consisting of components with a common core. Copyright © 2002 John Wiley & Sons, Ltd.
Planning for the next pandemic of influenza
Authors: Gust Ian D. , Hampson Alan W. , Lavanchy Daniel
Published: August 2002

Worldwide influenza pandemics have occurred at irregular and unpredictable intervals throughout history and it is confidently expected that they will continue to occur in the future. It is now recognised that these pandemics result when avian influenza A viruses succeed in adaption to and transmission between humans. The impact of pandemic influenza is substantial in terms of morbidity, mortality and economic cost and there is the potential for serious social disruption. Influenza vaccines remain the most effective defence against influenza but will be in short supply during a pandemic, as will the new specific anti‐influenza drugs, due to the lead‐time required for production and rapid spread of the virus. To minimise the impact of pandemics it is imperative to maximise the availability of both vaccines and antivirals and to ensure that they are used optimally. This requires planning at both the international and national levels. The World Health Organization has, therefore, developed a staged plan for responding to a pandemic threat which is based principally on its surveillance program. It has also prepared guidelines to assist national agencies in their planning. However, there may be further options for increasing our preparedness which should also be considered. Copyright © 2001 John Wiley & Sons, Ltd.
Prophylaxis for CMV should now replace pre‐emptive therapy in solid organ transplantation
Authors: Hart Gregory D. , Paya Carlos V.
Published: August 2002

Cytomegalovirus is a significant cause of morbidity and mortality in transplantation. Controversy exists concerning whether prophylactic or pre‐emptive therapy is the optimal strategy for preventing CMV disease. In addition, CMV impacts the transplanted graft, transplant recipient and transplant programme beyond just causing CMV disease; thus questioning whether ‘asymptomatic’ CMV replication should also be prevented. In this Forum article, prophylactic therapy is advocated as the preferred approach for preventing CMV disease. Prophylactic therapy has a large body of supportive controlled clinical studies demonstrating its efficacy and cost effectiveness. In addition, prophylactic therapy has the benefit of preventing other herpes viruses and other opportunistic superinfections by reducing the immunosuppressive effects of CMV. Moreover, a small but growing body of information suggests that prophylactic therapy may also have a beneficial effect on organ outcomes, including rejection. In contrast, pre‐emptive therapy is limited by its reliance on intensive surveillance, which presents logistical difficulties and requires perfect patient compliance. Ambiguity still exists concerning the best surveillance method and its effect on patient‐care costs. Each proposed diagnostic approach has limitations, which are affected by the prevalence of CMV in the population studied, the particular assay employed, and the frequency of surveillance. The suggested benefits of pre‐emptive therapy, such as decreased cost, fewer adverse medication effects and less antiviral resistance have not been adequately proven in head‐to‐head clinical studies. We therefore support the proposition that transplant patients at risk for any level of CMV replication will significantly benefit from effective antiviral prophylaxis. Copyright © 2001 John Wiley & Sons, Ltd.