bluuebunny/crossref_metadata_2025_split huggingface dataset:
Over‐expression of TGF‐β1 in Smad4‐deficient human oral carcinoma cells causes tumour regression in vivo by mechanisms that sensitize cells to apoptosis
Authors: Thavaraj Selvam , Paterson Ian C , Hague Angela , Prime Stephen S 
Published: November 2004

AbstractWe have shown previously that transforming growth factor‐β (TGF‐β) is a potent tumour suppressor in Smad4‐deficient human malignant oral keratinocytes but the mechanism by which this occurs is unknown. In the present study, we show that over‐expression of TGF‐β1 causes regression of tumours derived from Smad4‐deficient oral keratinocytes transplanted orthotopically to athymic mice. Further, tumour regression is associated with the induction of apoptosis without changes in cell proliferation. In vitro, TGF‐β1 did not induce apoptosis directly in these cells but sensitized cells to cisplatin, but not Fas, ‐induced cell death. The data suggest that TGF‐β1 induces tumour regression in vivo by Smad4‐independent pathways that sensitize keratinocytes to mitochondrial‐mediated apoptosis. Copyright © 2004 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Capability Testing Based on Cpm with Multiple Samples
Authors: Wu Chien‐Wei , Pearn W. L. 
Published: November 2004

AbstractNumerous process capability indices have been proposed in the manufacturing industry to provide unitless measures on process performance, which are effective tools for quality improvement and assurance. Most existing methods for capability testing are based on the distribution frequency approaches. Recently, Bayesian approaches have been proposed for testing capability indices Cp and Cpm but restricted to cases with one single sample. In this paper, we consider estimating and testing capability index Cpm based on multiple samples. We propose accordingly a Bayesian procedure for testing Cpm. Based on the Bayesian procedure, we develop a simple but practical procedure for practitioners to use in determining whether their manufacturing processes are capable of reproducing products satisfying the preset capability requirement. A process is capable if all the points in the credible interval are greater than the pre‐specified capability level. To make the proposed Bayesian approach practical for in‐plant applications, we tabulate the minimum values of $C^{\ast} (p)$ for which the posterior probability p reaches various desirable confidence levels. Copyright © 2004 John Wiley & Sons, Ltd.
Prediction of the Solubility, Activity Coefficient and Liquid/Liquid Partition Coefficient of Organic Compounds
Authors: Hilal S. H. , Karickhoff S. W. , Carreira L. A. 
Published: November 2004

AbstractSolvation models, based on fundamental chemical structure theory, were developed in the SPARC mechanistic tool box to predict a large array of physical properties of organic compounds in water and in non‐aqueous solvents strictly from molecular structure. The SPARC self‐interaction solvation models that describe the intermolecular interaction between like molecules (solute‐solute or solvent‐solvent) were extended to quantify solute‐solvent interaction energy in order to estimate the activity coefficient in almost any solvent. Solvation models that include dispersion, induction, dipole‐dipole and hydrogen bonding interactions are used to describe the intermolecular interaction upon placing an organic solute molecule in any single or mixed solvent system. In addition to estimation of the activity coefficient for 2674 organic compounds, these solvation models were validated on solubility and liquid/liquid distribution coefficient in more than 163 solvents including water. The RMS deviations of the calculated versus observed activity coefficients, solubilities and liquid/liquid distribution coefficients were 0.272 log mole fraction, 0.487 log mole fraction and 0.44 log units, respectively.
Highly Correlating Distance‐Connectivity‐Based Topological Indices. 2: Prediction of 15 Properties of a Large Set of Alkanes Using a Stepwise Factor Selection‐Based PCR Analysis
Authors: Shamsipur Mojtaba , Ghavami Raoof , Hemmateenejad Bahram , Sharghi Hashem 
Published: November 2004

AbstractThe potential usefulness of some newly proposed topological indices (Sh indices) has been examined by their application to the prediction of 15 different properties of a large number of alkanes (C2 through C10, a total of 149 molecules). Ten different indices (Sh1 through Sh10) and a novel one (Sh index) were calculated for each molecule by different combination of the connectivity and distance sum vectors. The alkanes' properties studied included boiling point (BP), density (D), molar refraction (MR), refraction index (RI), critical temperature (CT), critical pressure (CP), surface tension (ST), molar volume (MV), heat capacity (HC), enthalpy (E), heat of vaporization (HV), heat of atomization (HA), standard heat of formation (HF), heat of formation in liquid (HFL), and heat of formation in gas (HFG). First, the novel Sh index and the Randic connectivity index were used to simply correlate them to the properties of alkane molecules. Except with D, ST and RI, in all other cases, the Sh index produced high correlation coefficients. Besides, in almost all cases, the Sh index resulted in higher correlations than the Randic index. In order to predict the properties of alkanes more accurately, the PCR analysis was employed to drive multiparametric equations between the Sh indices and alkane properties. It was found that the stepwise procedure for factor selection, which was in accordance with the correlation ranking procedure, produced more convenient models in comparison with the eigen‐value ranking procedure. The advantages of the resulting QSPR models obtained by the use of Sh indices, over some other proposed models, were lower number of variables and higher prediction power.
Using Artificial Neural Networks to Boost High‐throughput Discovery in Heterogeneous Catalysis
Authors: Baumes L. , Farrusseng D. , Lengliz M. , Mirodatos C. 
Published: November 2004

AbstractThe work presents for the first time a detailed methodology which enable to scrutinize and identify solids that are relevant to be tested in a high throughput program. In the present case study, Artificial Neural Networks (ANN) are used to predict performances of catalysts for the Water Gas Shift reaction. In contrast to previous studies, it is shown that the quantitative prediction by ANN of performances is not adapted to a primary screening stage. On the contrary, ANN used as classifier tool within the course of an Evolutionary Strategy are well performing and well suited for high throughput heterogeneous catalysis. The virtual screening enables to pre‐select candidates to be screened experimentally with a very high rate of relevance at an early stage of a high throughput experimentation program, thus reducing significantly the number of trials.
Determination of pharmaceutical compounds in skin by imaging matrix‐assisted laser desorption/ionisation mass spectrometry
Authors: Bunch Josephine , Clench Malcolm R. , Richards Don S. 
Published: November 2004

AbstractMatrix‐assisted laser desorption/ionisation (MALDI) quadrupole time‐of‐flight mass spectrometry (Q‐TOFMS) has been used to detect and image the distribution of a xenobiotic substance in skin. Porcine epidermal tissue was treated with ‘Nizoral’, a medicated shampoo containing ketoconazole ((±)‐1‐acetyl‐4‐[p‐[[(2R,4S)‐2‐(2,4‐dichlorophenyl)‐2‐(imidazol‐1‐ylmethyl)‐1,3‐dioxolan‐4‐yl]methoxy]phenyl]piperazine) as active ingredient. Following incubation for 1 h at 37°C all excess formulation was washed from the surface. A cross‐section of the drug‐treated tissue was then blotted onto a cellulose membrane, precoated in matrix (α‐cyano‐4‐hydroxycinnamic acid (CHCA)), by airspray deposition. In separate experiments the tissue surface was treated with Nizoral within a triangular former, and subsequently blotted onto a matrix‐coated membrane. Sample membranes were then mounted into the recess of specialised MALDI targets with adhesive tape. All samples were analysed by MALDI‐TOFMS using an Applied Biosystem ‘Q‐star Pulsar i’ hybrid Q‐TOF mass spectrometer fitted with an orthagonal MALDI ion source and imaging software. Detection of the protonated molecule was readily achievable by this technique. Treatment of the tissue within a template gave rise to images depicting the expected distribution of the drug, demonstrating that this technique is capable of producing spatially useful data. Ion images demonstrating the permeation of the applied compound into the skin were achieved by imaging a cross‐sectional imprint of treated tissue. A calibration graph for the determination of ketoconazole was prepared using the sodium adduct of the matrix ion as an internal standard. This enabled construction of a quantitative profile of drug in skin. Conventional haematoxylin and eosin staining and microscopy methods were employed to obtain a histological image of the porcine epidermal tissue. Superimposing the mass spectrometric and histological images appeared to indicate drug permeation into the dermal tissue layer. Copyright © 2004 John Wiley & Sons, Ltd.
Improved precision and accuracy for high‐performance liquid chromatography/Fourier transform ion cyclotron resonance mass spectrometric exact mass measurement of small molecules from the simultaneous and controlled introduction of internal calibrants via a second electrospray nebuliser
Authors: Herniman Julie M. , Bristow Tony W. T. , O'Connor Gavin , Jarvis Jackie , Langley G. John 
Published: November 2004

AbstractThe use of a second electrospray nebuliser has proved to be highly successful for exact mass measurement during high‐performance liquid chromatography/Fourier transform ion cyclotron resonance mass spectrometry (HPLC/FTICRMS). Much improved accuracy and precision of mass measurement were afforded by the introduction of the internal calibration solution, thus overcoming space charge issues due to the lack of control over relative ion abundances of the species eluting from the HPLC column. Further, issues of suppression of ionisation, observed when using a T‐piece method, are addressed and this simple system has significant benefits over other more elaborate approaches providing data that compares very favourably with these other approaches. The technique is robust, flexible and transferable and can be used in conjunction with HPLC, infusion or flow injection analysis (FIA) to provide constant internal calibration signals to allow routine, accurate and precise mass measurements to be recorded. Copyright © 2004 John Wiley & Sons, Ltd.
Mass spectral study of alkali‐cationized Boc‐carbo‐β3‐peptides by electrospray tandem mass spectrometry
Authors: Srikanth R. , Reddy P. Nagi , Srinivas R. , Sharma G.V.M. , Reddy K. Ravinder , Radha Krishna Palakodety 
Published: November 2004

AbstractElectrospray tandem mass spectrometry was used to study the dissociation reactions of [M+Cat]+ (Cat = Na+ and Li+) of Boc‐carbo‐β3‐peptides. The collision‐induced dissociation (CID) spectra of [M+Cat‐Boc]+ of these peptides are found to be significantly different from those of [M+H‐Boc]+ ions. The spectra are more informative and display both C‐ and N‐terminus metallated ions in addition to characteristic fragment ions of the carbohydrate moiety. Based on the fragmentations observed in the CID spectra of the [M+Cat‐Boc]+ ions, it is suggested that the dissociation involves complexes in which the metal ion is coordinated in a multidentate arrangement involving the carbonyl oxygen atoms. The CID spectra of [M+Cat‐Boc]+ ions of the peptide acids show an abundant N‐terminal rearrangement ion [bn+17+Cat]+ which is absent for esters. Further, two pairs of positionally isomeric Boc‐carbo‐β3‐peptide acids, Boc‐NH‐Caa(S)‐β‐hGly‐OH (11) and Boc‐NH‐β‐hGly‐Caa(S)‐OH (12), and [Boc‐NH‐Caa(S)‐β‐hGly‐Caa(S)‐β‐hGly‐OH] (13) and [Boc‐NH‐β‐hGly‐Caa(S)‐β‐hGly‐Caa(S)‐OH] (14), were differentiated by the CID of [M+Cat‐Boc]+ ions. The CID spectra of compounds 11 and 13 are significantly different from those of 12 and 14, respectively. The abundance of [bn+17+Cat]+ ions is higher for peptide acids 12 and 14 with a sugar group at the C‐terminus when compared to 11 and 13 which contain a sugar moiety at the N‐terminus. The observed differences between the CID spectra of these isomeric peptides are attributed to the difference in the preferential site of metal ion binding and also on the structure of the cyclic intermediate involved in the formation of the rearrangement ion. Copyright © 2004 John Wiley & Sons, Ltd.
False diagnosis of renal agenesis on fetal MRI
Authors: Sgro M. , Shah V. , Barozzino T. , Ibach K. , Allen L. , Chitayat D. 
Published: November 2004

AbstractWe report a twin pregnancy in which prenatal ultrasound revealed anhydramnios and bilateral absence of the kidneys in both fetuses. To overcome the difficulties faced in obtaining accurate information on fetal ultrasound in cases with oligohydramnios, an attempt was made to use fetal magnetic resonance imaging (MRI) to confirm the renal status. However, while the fetal MRI showed renal agenesis in both twins, postnatal follow‐up revealed that one twin, which survived, had a small unilateral kidney not seen antenatally on fetal ultrasound or MRI. The second twin had bilateral renal agenesis and died of pulmonary hypoplasia. Care should be taken when using fetal MRI to replace fetal ultrasound in cases with poor visibility. Copyright © 2004 ISUOG. Published by John Wiley & Sons, Ltd.
Assessment of variability of renal blood flow Doppler parameters during the menstrual cycle in women
Authors: Krejza J. , Ustymowicz A. , Szylak A. , Tomaszewski M. , Hryniewicz A. , Jawad A. 
Published: November 2004

AbstractObjectiveTo estimate variability of renal flow Doppler parameters during the menstrual cycle in young women, and to explore whether the parameters oscillate substantially throughout the cycle.MethodsThe peak systolic, mean, and end‐diastolic velocities, pulsatility (PI) and resistance (RI) indices, acceleration time (AT) and index (AI) of the right renal artery were measured nine times during the cycle with duplex sonography in 14 healthy women (age range, 23–25 years), and correlated with plasma concentrations of 17β‐estradiol and progesterone. Coefficient of variation (CV), interclass correlation (ρ), and repeatability coefficients (RC) were used to measure the variability.ResultsThe measures of the variability for AI and AT were: CV = 45.4% and 37.3%; ρ = 0.25 and 0.15; RC = 10.1 and 99.5, respectively. The CV for flow velocities varied from 24.1% to 25.5%, ρ from 0.49 to 0.50, RC from 22.7 for end‐diastolic to 63.3 for peak systolic velocity. The respective figures for PI and RI were: CV = 17% and 8.3%; ρ = 0.21 and 0.29; RC = 0.53 and 0.15. Fluctuations of the flow parameters, hematocrit, hemoglobin, heart rate, and systolic blood pressure during the menstrual cycle were insignificant, while the diastolic blood pressure decreased by about 7 mmHg (P < 0.01) in the luteal phase.ConclusionThe variability of renal flow Doppler parameters during the menstrual cycle in young healthy women is substantial. However, fluctuations of the values of the parameters throughout the cycle were non‐significant. Copyright © 2004 ISUOG. Published by John Wiley & Sons, Ltd.
Mild detergent treatment of Candida tropicalis reveals a NADPH‐dependent reductase in the crude membrane fraction, which enables the production of pure bicyclic exo‐alcohol
Authors: Katz Michael , Johanson Ted , Gorwa‐Grauslund Marie‐F. 
Published: November 2004

AbstractThis study demonstrated the occurrence of a NADPH‐dependent exo‐alcohol reductase in the crude membrane fraction of Candida tropicalis. Cytosolic endo‐alcohol reductase activity could be separated from the membrane‐bound exo‐alcohol activity by means of detergent treatment, enabling the preparation of pure exo‐alcohol via the enzymatic conversion of the bicyclic diketone, bicyclo[2.2.2]octane‐2,6‐dione. The exo‐alcohol reductase is, to our knowledge, the first membrane‐bound NADPH‐dependent reductase accepting a xenobiotic carbonyl substrate that was not a steroid. When C. tropicalis was grown on D‐sorbitol, a two‐fold increase in the exo‐reductase activity was observed as compared to when grown on glucose. An in silico comparison at the protein level between putative xenobiotic carbonyl reductases in Candida albicans, C. tropicalis and Saccharomyces cerevisiae was performed to explain why Candida species are often encountered when screening yeasts for novel stereoselective reduction properties. C. albicans contained more reductases with the potential to reduce xenobiotic carbonyl compounds than did S. cerevisiae. C. tropicalis had many membrane‐bound reductases (predicted with the bioinformatics program, TMHMM), some of which had no counterpart in the two other organisms. The exo‐reductase is suspected to be either a β‐hydroxysteroid dehydrogenase or a polyol dehydrogenase from either the short chain dehydrogenase family or the dihydroflavonol reductase family. Copyright © 2004 John Wiley & Sons, Ltd.
Allelic isoforms of the H+/nucleoside co‐transporter (CaCNT) from Candida albicans reveal separate high‐ and low‐affinity transport systems for nucleosides
Authors: Slugoski Melissa D. , Loewen Shaun K. , Ng Amy M. L. , Baldwin Stephen A. , Cass Carol E. , Young James D. 
Published: November 2004

AbstractContigs 19–10196 and 19‐20196 of the Stanford Candida albicans genome sequence databank encode two putative allelic isoforms of C. albicans CaCNT, a recently characterized 608 amino acid residue H+‐coupled fungal member of the CNT family of concentrative nucleoside transport proteins. The single Ser/Gly difference between CaCNT/19‐20196 and CaCNT occurs at position 328 in putative TM 7, and corresponds to a Ser/Gly substitution previously shown to contribute to the contrasting pyrimidine and purine nucleoside selectivities of human (h) and rat (r) Na+‐dependent CNT1 and CNT2. CaCNT/19‐10196 differs from CaCNT by four amino acids, but has Gly at position 328. These new proteins were recreated by site‐directed mutagenesis of CaCNT and characterized functionally by heterologous expression in Xenopus laevis oocytes. In marked contrast to h/rCNT1/2, both CaCNT/19‐10196 and CaCNT/19‐20196 exhibited permeant selectivities for purine nucleosides (adenosine, guanosine and inosine) and uridine similar to that of CaCNT. However, although H+‐coupled, CaCNT/19‐20196 exhibited a ∼10‐fold higher apparent Km for uridine than either CaCNT or CaCNT/19‐10196. CaCNT/19‐20196 also exhibited a low apparent affinity for inosine. We conclude that the three proteins correspond to high‐affinity (CaCNT, CaCNT/19‐10196) and low‐affinity (CaCNT/19‐20196) allelic isoforms of the C. albicans CNT nucleoside transporter. This is the first example of a single amino acid residue substitution altering a CNT protein's overall apparent affinity for nucleosides. Copyright © 2004 John Wiley & Sons, Ltd.
Impact of cyclosporine 2‐h level and mycophenolate mofetil dose on clinical outcomes inde novoheart transplant patients receiving anti‐thymocyte globulin induction
Authors: Cantarovich Marcelo , Giannetti Nadia , Cecere Renzo 
Published: November 2004

Abstract: Background:Cyclosporine (CsA) 2‐h post‐dose level (C2) correlates better than trough levels (C0) with the area under the curve. We evaluated the clinical impact of C2and mycophenolate mofetil (MMF) dose in adult heart transplant patients receiving anti‐thymocyte globulin (ATG) induction.Methods:Two immunosuppressive strategies were sequentially evaluated. In Group 1 (13 patients), simultaneous C0/C2(ng/mL) were analyzed. CsA dose monitoring was initially based on C0: <3 months: 200–300, 4–6 months: 150–250, 6–9 months: 100–200, and on C2thereafter (as in Group 2). In Group 2 (nine patients), C2monitoring was implemented: <3 months: 600–800, 4–6 months: 500–700, >6 months: 400–600. All patients received ATG induction, corticosteroids, and MMF (1.0 g b.i.d. in Group 1 and 1.5 g b.i.d. in Group 2).Results:Patients in Group 2 received higher MMF doses during the first trimester. C2at 1, 3, 6, 12, 24, and 36 months was, respectively, 1199 ± 476, 1202 ± 587, 999 ± 467, 664 ± 203, 593 ± 208, and 561 ± 147 in Group 1, and 809 ± 160 (p = 0.02), 644 ± 178 (p = 0.003), 664 ± 169 (p = 0.02), 616 ± 221, 464 ± 234, and 451 ± 165 in Group 2. The incidence of acute rejection (grade ≥3A) at 6, 12, 24, and 36 months was, respectively, 38.5, 38.5, 46, and 54% in Group 1, and 11, 44, 56, and 56% in Group 2 (p = NS). At 3 months, the creatinine clearance was 25% lower in Group 1. Thereafter, renal function remained stable in both groups.Conclusion:Our results suggest that heart transplant patients receiving ATG induction may experience similar outcomes with either a higher C2and a lower MMF dose or a lower C2and a higher MMF dose. These results could be considered to design prospective studies to optimize C2monitoring, to reduce the incidence of acute rejection without increasing the risk of renal dysfunction.
The effect of food availability on the foraging behaviour of breeding Great Skuas Catharacta skua and Arctic Skuas Stercorarius parasiticus
Authors: Caldow R. W. G. , Furness R. W. 
Published: November 2004

Seabirds’ behavioural activity budgets have been proposed as an indicator of changes in marine food supplies. Reduced recruitment and a low biomass of sandeels Ammodytes spp. around Shetland in the late
1980s were associated with a dramatic increase in the foraging effort of
breeding skuas. We present data on the territorial attendance patterns of
breeding Great Skuas Catharacta skua and Arctic Skuas
Stercorarius parasiticus in Shetland in 1987 and examine three aspects of the recorded increase in foraging effort.Time budget studies indicate that recording territorial attendance by infrequent, daily spot observations provides an accurate measure of the time spent off‐territory by both skua species. None of the pairs of Arctic Skua studied ever left their chicks unattended in 1987. The same was true of 10 out of 27 pairs of Great Skuas. Although the remaining pairs of Great Skuas frequently left their chicks unprotected, evidence of pair co‐ordination to minimise this suggests that their foraging schedules were still constrained by the need to protect their offspring. During periods of high chick‐demand, variation between pairs’ foraging efforts largely reflected variation in those of the females. Thus, we suggest that increased chick neglect in years of food shortage arises as females abandon their role of guardian for that of provider. By the end of the breeding season in 1987, both male and female Great Skuas foraged from 65 to 89% of daylight hours. The lack of any further increase in the foraging effort of Great Skuas in subsequent years of poorer reproductive success was almost certainly because time and energy constraints prevented either sex from doing so. We suggest that the comparatively short amount of time spent foraging by Arctic Skuas in 1987 may reflect an advantage conferred by their role as specialist kleptoparasites.
Computer‐assisted treatment planning and analysis
Authors: Beers AC , Choi W , Pavlovskaia E 
Published: November 2004

Abstract
Authors– Beers AC, Choi W, Pavlovskaia EThe Invisalign® orthodontic system (Align Technology, Inc, Santa Clara, CA) is a series of clear removable appliances that is worn by a patient to correct malocclusions. Introduced in 1999, it has been applied to successfully correct an increasingly wide variety of malocclusions. Part of the success of the system is because of the innovative technologies inherent in the design of the appliances.During the development of the system, many challenges and issues needed to be overcome to realize the product. Many of these issues were not specific to Invisalign®, and represented general problems in the area of computer‐aided orthodontics. The general problems of developing a virtual model of a patient's dentition appropriate for use in orthodontics, performing a treatment plan on a virtual dentition model, and analyzing how accurately the virtual treatment plan executed in the patient's mouth are presented.