bluuebunny/crossref_metadata_2025 huggingface dataset:
Physical Activity and Survival After Colorectal Cancer Diagnosis
Authors: Meyerhardt Jeffrey A. , Giovannucci Edward L. , Holmes Michelle D. , Chan Andrew T. , Chan Jennifer A. , Colditz Graham A. , Fuchs Charles S.
Published: July 2006

Purpose

Physically active individuals have a lower risk of developing colorectal cancer but the influence of exercise on cancer survival is unknown.

Patients and Methods

By a prospective, observational study of 573 women with stage I to III colorectal cancer, we studied colorectal cancer–specific and overall mortality according to predefined physical activity categories before and after diagnosis and by change in activity after diagnosis. To minimize bias by occult recurrences, we excluded women who died within 6 months of their postdiagnosis physical activity assessment.

Results

Increasing levels of exercise after diagnosis of nonmetastatic colorectal cancer reduced cancer-specific mortality (P for trend = .008) and overall mortality (P for trend = .003). Compared with women who engaged in less than 3 metabolic equivalent task [MET] -hours per week of physical activity, those engaging in at least 18 MET-hours per week had an adjusted hazard ratio for colorectal cancer–specific mortality of 0.39 (95% CI, 0.18 to 0.82) and an adjusted hazard ratio for overall mortality of 0.43 (95% CI, 0.25 to 0.74). These results remained unchanged even after excluding women who died within 12 and 24 months of activity assessment. Prediagnosis physical activity was not predictive of mortality. Women who increased their activity (when comparing prediagnosis to postdiagnosis values) had a hazard ratio of 0.48 (95% CI, 0.24 to 0.97) for colorectal cancer deaths and a hazard ratio of 0.51 (95% CI, 0.30 to 0.85) for any-cause death, compared with those with no change in activity.

Conclusion

Recreational physical activity after the diagnosis of stages I to III colorectal cancer may reduce the risk of colorectal cancer–specific and overall mortality.
Impact of Physical Activity on Cancer Recurrence and Survival in Patients With Stage III Colon Cancer: Findings From CALGB 89803
Authors: Meyerhardt Jeffrey A. , Heseltine Denise , Niedzwiecki Donna , Hollis Donna , Saltz Leonard B. , Mayer Robert J. , Thomas James , Nelson Heidi , Whittom Renaud , Hantel Alexander , Schilsky Richard L. , Fuchs Charles S.
Published: July 2006

Purpose

Regular physical activity reduces the risk of developing colon cancer, however, its influence on patients with established disease is unknown.

Patients and Methods

We conducted a prospective observational study of 832 patients with stage III colon cancer enrolled in a randomized adjuvant chemotherapy trial. Patients reported on various recreational physical activities approximately 6 months after completion of therapy and were observed for recurrence or death. To minimize bias by occult recurrence, we excluded patients who experienced recurrence or died within 90 days of their physical activity assessment.

Results

Compared with patients engaged in less than three metabolic equivalent task (MET) -hours per week of physical activity, the adjusted hazard ratio for disease-free survival was 0.51 (95% CI, 0.26 to 0.97) for 18 to 26.9 MET-hours per week and 0.55 (95% CI, 0.33 to 0.91) for 27 or more MET-hours per week. The adjusted P for trend was .01. Postdiagnosis activity was associated with similar improvements in recurrence-free survival (P for trend = .03) and overall survival (P for trend = .01). The benefit associated with physical activity was not significantly modified by sex, body mass index, number of positive lymph nodes, age, baseline performance status, or chemotherapy received. Moreover, the benefit remained unchanged even after excluding participants who developed cancer recurrence or died within 6 months of activity assessment.

Conclusion

Beyond surgical resection and postoperative adjuvant chemotherapy for stage III colon cancer, for patients who survive and are recurrence free approximately 6 months after adjuvant chemotherapy, physical activity appears to reduce the risk of cancer recurrence and mortality.
The P4 metal binding site in RNase P RNA affects active site metal affinity through substrate positioning
Authors: Christian Eric L. , Smith Kari M.J. , Perera Nicholas , Harris Michael E.
Published: July 2006

Although helix P4 in the catalytic domain of the RNase P ribozyme is known to coordinate magnesium ions important for activity, distinguishing between direct and indirect roles in catalysis has been difficult. Here, we provide evidence for an indirect role in catalysis by showing that while the universally conserved bulge of helix P4 is positioned 5 nt downstream of the cleavage site, changes in its structure can still purturb active site metal binding. Because changes in helix P4 also appear to alter its position relative to the pre-tRNA cleavage site, these data suggest that P4 contributes to catalytic metal ion binding through substrate positioning.
Interactive Self-Modeling Mixture Analysis of Ion Mobility Spectra
Authors: De B. Harrington Peter , Reese Eric S. , Rauch Paùl J. , Hu Lijuan , Davis Dennis M.
Published: July 2006

Ion mobility spectrometry (IMS) has been successfully developed to yield an advanced portable instrument. However, the formation of pure or heterogeneous cluster ions introduces nonlinear variances into the data. Cluster ions may arise from the sample in addition, and competition to the standard anticipated product ions and may deleteriously affect quantitative determinations. The SIMPLISMA (simple-to-use interactive self-modeling mixture analysis) method is demonstrated for detecting and modeling these nonlinear variances in IMS data, which is especially useful when vapor mixtures are encountered. Furthermore, SIMPLISMA may assist in the resolution of overlapping peaks that are characteristic of low-resolution IMS drift tubes. The synergistic combination of IMS and SIMPLISMA is shown for the detection of heterogeneous cluster ions produced from vapor mixtures of 1-pentanol and 1-octanol.
Adoption of Electronic Health Records in Primary Care Pediatric Practices
Authors: Kemper Alex R. , Uren Rebecca L. , Clark Sarah J.
Published: July 2006

BACKGROUND. Electronic health records may improve care delivery. Although professional organizations and federal agencies encourage widespread adoption, no national data are available regarding the penetration of electronic health records into primary care pediatric practices.

METHODS. We used a national mail survey of 1000 randomly selected primary care pediatricians conducted from August to November 2005.

RESULTS. The response rate was 58%. Overall, 21.3% of respondents had an electronic health record in their practice. The likelihood of having an electronic health record increased with practice size. Those in a practice network were more likely to have an electronic health record than those in other settings. Smaller and independent practices were less likely to be considering implementing an electronic health record. Although most electronic health records include some pediatric-specific functionality such as the ability to record immunizations, many do not offer decision support; only approximately one third included immunization prompts or alerts for abnormal laboratory results. Cost was a barrier for nearly all of those without an electronic health record; half of the respondents questioned whether electronic health records lead to improvement in quality of care, and many could not identify an electronic health record that would meet their practice requirements.

CONCLUSIONS. Electronic health records are concentrated in larger and networked pediatric practices. Smaller and independent pediatric practices, the most common types of practice, are unlikely to adopt electronic health records until the cost of implementing and maintaining the systems decreases, developing standards for interoperability are adopted, and electronic health records are widely perceived to improve quality of care by practicing general pediatricians. The lack of decision support in current electronic health records may limit the ability of these tools to improve care delivery.
Briefing: Trees: the new branch of sustainable drainage
Authors: Englmeier Markus , Scholz Miklas
Published: July 2006

Trees have many environmental benefits, not least of which is their little-known role in reducing rainfall run-off. Research by Markus Englmeier and Miklas Scholz from the University of Edinburgh shows trees could play a much greater role in delivering sustainable drainage.
Briefing: Competency and resource: time to do better
Authors: Carpenter John
Published: July 2006

Revised CDM Regulations are due to be published next year, 12 years after they originally came into force. Safety consultant John Carpenter reports on the current problems of assessing the competence and resources of duty holders, and suggests how this could be put right.
Briefing: Women in engineering— why less costs more
Authors: Inman Mary
Published: July 2006

The UK economy is losing up to £23 billion a year because Britain's civil and other engineering and technical professions are not employing enough women. Mary Inman of EPCglobal reports on the findings of an international survey on the shortage of women in engineering—and why things need to change.
Briefing: Three quarters of Eurocodes now published
Authors: Gulvanessian Haig
Published: July 2006

Eurocodes are now 75% completed and well on their way to becoming the world's new structural design standards. Haig Gulvanessian, chairman of the UK's pan-industry Eurocodes Expert advisory group, provides an update.
Effects of an endothelin receptor antagonist and nitroglycerin on digital vascular function in horses during the prodromal stages of carbohydrate overload-induced laminitis
Authors: Eades Susan C. , Stokes Ashley M. , Moore Rustin M.
Published: July 2006

Objective—To evaluate changes in digital vascular function in horses with carbohydrate overload (CHO)-induced laminitis and determine the effects of an endothelin (ET) receptor antagonist and nitroglycerin on laminitis-associated vascular dysfunction.

Animals—20 adult horses without abnormalities of the digit.

Procedures—Hemodynamic variables were recorded before (baseline) and hourly after all horses were administered a CHO ration via nasogastric tube. In 4 groups of 5 horses each, saline (0.9% NaCl) solution or ET receptor antagonist (10−5M in digital blood) was administered into the digital arterial circulation according to 1 of 2 schedules. During anesthesia, blood flow; arterial, venous, and capillary pressures; and total, precapillary, and postcapillary resistances were measured in an isolated perfused digit of each horse. In all groups, nitroglycerin was infused (10−5M in digital blood), and digital microvascular assessments were repeated.

Results—The CHO caused a significant decrease in right atrial pressure by 14 hours that was not affected by administration of saline solution or ET receptor antagonist. In isolated digits of anesthetized horses, CHO resulted in a significant decrease in digital blood flow associated with a significant increase in total and postcapillary resistances. Treatment with the ET receptor antagonist and nitroglycerin caused a significant decrease in total resistance. Postcapillary resistance was significantly decreased following treatment with the ET receptor antagonist but was not altered by treatment with nitroglycerin.

Conclusions and Clinical Relevance—Treatment with an ET receptor antagonist and nitroglycerin resulted in significant improvement in vascular resistance in isolated perfused digits of anesthetized horses with CHO-induced laminitis.
Nucleotide structure of equine platelet-derived growth factor-A and -B and expression in horses with induced acute tendinitis
Authors: Donnelly Brandon P. , Nixon Alan J. , Haupt Jennifer L. , Dahlgren Linda A.
Published: July 2006

Objective—To characterize the nucleotide sequence of equine platelet-derived growth factor (PDGF)-A and -B and analyze temporal expression of these genes in equine tendon after induced tendinitis injury.

Animals—18 mature horses.

Procedures—Genes for equine PDGF-A and -B were reverse transcribed and sequenced from synovial tissue mRNA obtained from a 3-year-old horse. Collagenase-induced lesions were created in the tensile region of the superficial digital flexor tendon in 14 horses; 3 horses served as uninjured control animals. Tendons were harvested and total RNA was isolated from experimental horses 1, 2, 4, 8, and 24 weeks after collagenase injection. Temporal gene expression for PDGF-A and -B was determined by use of quantitative PCR analysis.

Results—Equine PDGF-A shared 83.8% sequence and 87.5% peptide homology with human PDGF-A, with a discrepancy of 70 bp from the human sequence. Equine PDGF-B was similar in length to the human gene, sharing 90.3% and 91.7% nucleotide and peptide identity, respectively. Expression of PDGF-A mRNA in collagenase-induced tendinitis lesions was unchanged, compared with expression for normal control tendon, and remained steady throughout the 24-week study. Expression of PDGF-B mRNA decreased over time, and the expression at 24 weeks was significantly reduced, compared with expression in normal and acutely injured tendon.

Conclusions and Clinical Relevance—Injured tendon mounts a minimal constitutive PDGF-A or -B mRNA response. Serial exogenous treatment with either PDGF isoform within the first 2 to 4 weeks after tendon injury may bolster the meager PDGF paracrine-autocrine intrinsic response to injury.
Effects of ramipril on renal function during progressive overpacing-induced heart failure in dogs
Authors: Mathieu Myrielle , Motte Sophie , Ray Lynn , Pensis Anne , Jespers Pascale , Brimioulle Serge , Laroute Valérie , Naeije Robert , Mc Entee Kathleen
Published: July 2006

Objective—To investigate the effects of preventive angiotensin converting enzyme inhibitor treatment with ramipril in dogs with progressively severe experimentally induced heart failure.

Animals—20 dogs.

Procedures—Dogs were randomly allocated to receive no treatment (control) or ramipril (0.125 mg/kg, PO, daily) for 7 weeks. Physical examination, repetitive catheterization of the right side of the heart, and echocardiography were performed before the study (day 0) and weekly for 7 weeks. Renal plasma flow (RPF) as determined by para-aminohippuric acid clearance and glomerular filtration rate (GFR) as determined by creatinine and iohexol clearances were measured on day 0 and at weeks 4 and 7.

Results—Overpacing induced a progressive increase in right atrial pressure (RAP) and pulmonary artery pressure, occluded (PAPO), with a decrease in systemic arterial pressure. There were progressive alterations of echocardiographic indices of diastolic and systolic ventricular function. The RPF and GFR decreased before cardiac output decreased, and filtration fraction increased. The logarithm of the urinary sodium–to–potassium concentration ratio (log10[Na+/K+]) decreased. Significant effects of ramipril included a delay in clinical signs of heart failure, a late decrease in RAP and PAPO, and increases in the sodium excretion fraction and log10(Na+/K+). There was a satisfactory agreement between the creatinine and iohexol clearance measurements.

Conclusions and Clinical Relevance—Results suggest that, in this rapid-evolving, dilated cardiomyopathy, activation of the renin-angiotensin system contributes to the pathophysiology of heart failure late in the disease and essentially by an activation of renal salt and water retention.
In vitro inhibition of matrix metalloproteinase activity in tracheal epithelial lining fluid from horses with recurrent airway obstruction
Authors: Raulo Saara M. , Sorsa Timo , Maisi Päivi
Published: July 2006

Objective—To evaluate inhibitory effects of synthetic matrix metalloproteinase (MMP) inhibitors in vitro on gelatinolytic and collagenolytic activities in tracheal epithelial lining fluid (TELF) of horses with recurrent airway obstruction (RAO).

Animals—10 horses with RAO and 5 healthy control horses.

Procedures—Substrate-based functional assays, collagen I and gelatin degradation, were used to measure endogenous collagenolytic and gelatinolytic activities in TELF. In vitro inhibition of MMP activity in TELF with 2 chemically modified tetracyclines (CMTs; CMT-3 and CMT-8) and 2 bisphosphonates (BPs; zoledronate and pamidronate) was evaluated.

Results—CMT-3, CMT-8, zoledronate, and pamidronate in a dose-dependent manner inhibited TELF type I collagenolytic and gelatinolytic activities, although no complete inhibition of TELF type I collagenolytic and gelatinolytic activities was achieved with the inhibitor concentrations of 25 to 500μM tested. The CMTs inhibited pathologically induced collagen I degradation more effectively than BPs. Of the tested CMTs, CMT-3 was the most effective inhibitor of gelatinolytic activity, and the efficiency of CMT-3 corresponded with that of the BPs.

Conclusions and Clinical Relevance—An increase in MMP activity in the equine respiratory tract may potentially be inhibited by administration of CMTs or BPs. Distinct synthetic MMP inhibitors may eventually provide an additional means for pharmacologic treatment by decreasing ongoing active tissue destructive inflammation associated with chronic lung disease. The MMP inhibitors such as CMTs and BPs that are targeted to solely inhibit a pathologic increase in MMP activities provide the advantage of minimal adverse effects that are characteristics of other excessively potent MMP inhibitors.
Effect of passive transfer status on preweaning growth performance in dairy lambs
Authors: Massimini Genesio , Britti Domenico , Peli Angelo , Cinotti Stefano
Published: July 2006

Objective—To evaluate the effect of passive transfer status, determined by measuring serum IgG concentration 24 hours after parturition, on preweaning growth performance in dairy lambs.

Design—Prospective observational study.

Animals—20 healthy Sardinian dairy lambs.

Procedures—Serum IgG concentration was meaured 24 hours after birth. Body weight was measured at birth and at the time of weaning 28 days (ie, 27 to 29 days) after birth. Mean daily gain from birth to day 28 and day 28 weight were used as measures of preweaning growth performance. Regression analysis was used to evaluate associations between serum IgG concentration 24 hours after birth and measures of preweaning growth performance.

Results—Mean ± SD serum IgG concentration 24 hours after birth was 24.6 ± 17.5 mg/mL. Mean body weights at birth and weaning were 2,696 ± 937 g and 9,253 ± 2,116 g, respectively, and mean daily gain was 234 ± 63 g/d. No significant association was detected between serum IgG concentration 24 hours after birth and birth weight. However, serum IgG concentration 24 hours after birth was significantly associated with mean daily gain (R2 = 0.25). Each 1 mg/mL increase in serum IgG concentration 24 hours after birth was associated with a 1.8 g/d increase in mean daily gain and a 60.8-g increase in day 28 weight.

Conclusions and Clinical Relevance—Results indicated that passive transfer status, determined as serum IgG concentration 24 hours after birth, was a significant source of variation in preweaning growth performance in dairy lambs.
Enhancing the recall of young, young–old and old–old adults with cognitive interviews
Authors: Wright Allison M. , Holliday Robyn E.
Published: July 2006

Two studies examined whether a Cognitive Interview improves older witnesses' recall. Study 1 compared the quality and quantity of older adults' recall when given a typical UK police interview, the Enhanced Cognitive Interview (ECI), or a modified version of the Cognitive Interview (MCI). The MCI was identical to the ECI except that the change perspective technique was omitted. Old–old (75–95‐years) adults' recall was less complete and less accurate than that of young–old (60–74‐years) adults, which was less complete and accurate than that of young (17–31‐years) adults. The ECI and MCI increased the number of correct Person, Action, Object and Surrounding details reported across every age group, without increasing the number of incorrect or confabulated details recalled. In Study 2, it was found that these effects remained when interviews were re‐scored using a system that reflected police officers' decisions about the investigative relevance of details. Copyright © 2006 John Wiley & Sons, Ltd.
Kinetic modeling of tert‐butyl radical decomposition reaction
Authors: Zheng Xiaobo , Blowers Paul
Published: July 2006

Quantum chemical Gaussian‐3 (G3), and complete basis set (CBS) composite energy methods are applied to investigate tert‐butyl radical decomposition reaction kinetics and energetics. The available experimental thermodynamic and kinetic data are employed to assess the accuracy of these calculations. The CBS method proves to have good agreement with the experimental data, indicating it is a good method for studying other hydrocarbon cracking reactions involving large species. A kinetic model of the reaction with pressure and temperature effects is also proposed. For P ≤ P0, k [s−1] = (3.93 × 1012) × P0.35 × e(−17878.5/T); for P > P0, k [s−1] = (2.0 × 1013) × e(−18096.0/T), where P is in units of kPa, T in units of Kelvin, and P0 = (1.04 × 102) × e(−621.43/T). The advantage of this simple kinetic model is that it can be easily applied to different reaction conditions without performing additional costly calculations. © 2006 American Institute of Chemical Engineers AIChE J, 2006
Poly(ethylene glycol)/acrylic polymer blends for latent heat thermal energy storage
Authors: Alkan Cemil , Sari Ahmet , Uzun Orhan
Published: July 2006

In the present study, polyethylene glycol (PEG) were blended with acrylic polymers like polymethyl methacrylate (PMMA), Eudragit S (Eud S), and Eudragit E (Eud E) as novel form stable phase change materials (PCMs) and characterized by optical microscopy, spectroscopy and viscosity techniques. Latent heat thermal energy storage (LHTES) properties of the blends were evaluated by using the differential scanning calorimetry (DSC) technique. In the form‐stable blends, PEG acted like phase change‐LHTES material when the acrylic polymers served as supporting material because of their adhesion property. The maximum percentage of PEG was found 80% w/w for any of the blend in which no leakage of PEG occurred for 100 heating/cooling cycles. The optical microscopy investigations revealed that the phase behavior of the blends was observed as self organized PEG distributed in the matrix of acrylic polymers rather than chain‐like structures. The interactions between the blend components (PEG and one of the acrylic polymers) were analyzed by Fourier transform infrared (FT‐IR) spectroscopy and the viscosimetry technique. The key LHTES properties (melting and freezing temperatures, and latent heats of melting and freezing of the blends) were evaluated by DSC. The DSC results indicated that PEG/PMMA, PEG/Eud S, and PEG/Eud E blends as form‐stable PCMs were convenient materials for LHTES applications in terms of their satisfying thermal properties. Therefore, these form‐stable PCMs could be incorporated into an LHTES system with the advantage of direct utility in order to store daytime solar energy for space heating. © 2006 American Institute of Chemical Engineers AIChE J, 2006
An association study of the brain‐derived neurotrophic factor Val66Met polymorphism and amphetamine response
Authors: Flanagin Brody A. , Cook Edwin H. , de Wit Harriet
Published: July 2006

Although genetic factors are known to be important in addiction, no candidate genes have yet been consistently linked to drug use or abuse. Brain‐derived neurotrophic factor (BDNF), which has been implicated in the behavioral response to psychomotor stimulants and potentiates neurotransmitters that are strongly linked to addiction, is a logical candidate gene to study. Using a drug challenge approach, we tested for association between BDNF G196A (val66met) genotype and subjective responses to amphetamine (AMPH). Healthy volunteers participated in a double blind, crossover design in which they received placebo, 10 mg, and 20 mg oral d‐amphetamine in random order. Subjective and physical responses to ingestion of AMPH were measured at 30‐min intervals after drug ingestion. Each subject was genotyped for the BDNF G196A polymorphism and grouped and analyzed accordingly. The effects of AMPH on ratings of arousal, energy, and heart rate were compared in subjects with the val/val genotype (N = 67) and the subjects with either the val/met or met/met genotypes (N = 32). AMPH produced less pronounced self‐ratings of arousal and energy, yet higher increases in heart rate, in the val/met and met/met compared to the val/val group. These results suggest that BDNF is related to the subjective and physical response to low doses of AMPH. © 2006 Wiley‐Liss, Inc.
Prevalence of psychiatric disorders in 4 to 16‐year‐olds with Williams syndrome
Authors: Leyfer Ovsanna T. , Woodruff‐Borden Janet , Klein‐Tasman Bonita P. , Fricke Johanna S. , Mervis Carolyn B.
Published: July 2006

The prevalence of a range of DSM‐IV psychiatric disorders in a sample of 119 4–16‐year‐old children with Williams syndrome (WS) was assessed using a structured diagnostic interview with their parents. Most children (80.7%) met criteria for at least one DSM‐IV diagnosis. The most prevalent diagnoses were Attention Deficit/Hyperactivity Disorder (ADHD; 64.7%) and Specific Phobia (53.8%). There was a significant shift in Predominant Type of ADHD as a function of CA, from Combined for the youngest group (ages 4–6 years) to Inattentive for the oldest group (ages 11–16 years). The prevalence of Generalized Anxiety Disorder (GAD) increased significantly with age. These findings are another step toward defining the behavioral phenotype of WS. © 2006 Wiley‐Liss, Inc.
Comparison of Confidence Intervals for Adjusted Attributable Risk Estimates under Multinomial Sampling
Authors: Lehnert‐Batar Andrea , Pfahlberg Annette , Gefeller Olaf
Published: July 2006

The epidemiologic concept of the adjusted attributable risk is a useful approach to quantitatively describe the importance of risk factors on the population level. It measures the proportional reduction in disease probability when a risk factor is eliminated from the population, accounting for effects of confounding and effect‐modification by nuisance variables. The computation of asymptotic variance estimates for estimates of the adjusted attributable risk is often done by applying the delta method. Investigations on the delta method have shown, however, that the delta method generally tends to underestimate the standard error, leading to biased confidence intervals. We compare confidence intervals for the adjusted attributable risk derived by applying computer intensive methods like the bootstrap or jackknife to confidence intervals based on asymptotic variance estimates using an extensive Monte Carlo simulation and within a real data example from a cohort study in cardiovascular disease epidemiology. Our results show that confidence intervals based on bootstrap and jackknife methods outperform intervals based on asymptotic theory. Best variants of computer intensive confidence intervals are indicated for different situations. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Protonmotive Force: Development of Electrostatic Drivers for Synthetic Molecular Motors
Authors: Crowley James D. , Steele Ian M. , Bosnich Brice
Published: July 2006

Ferrocene has been investigated as a platform for developing protonmotive electrostatic drivers for molecular motors. When two 3‐pyridine groups are substituted to the (rapidly rotating) cyclopentadienyl (Cp) rings of ferrocene, one on each Cp, it is shown that the (Cp) eclipsed, π‐stacked rotameric conformation is preferred both in solution and in the solid state. Upon quaternization of both of the pyridines substituents, either by protonation or by alkylation, it is shown that the preferred rotameric conformation is one where the pyridinium groups are rotated away from the fully π‐stacked conformation. Electrostatic calculations indicate that the rotation is caused by the electrostatic repulsion between the charges. Consistently, when the π‐stacking energy is increased π‐stacked population increases, and conversely when the electrostatic repulsion is increased π‐stacked population is decreased. This work serves to provide an approximate estimate of the amount of torque that the electrostatically driven ferrocene platform can generate when incorporated into a molecular motor. The overall conclusion is that the electrostatic interaction energy between dicationic ferrocene dipyridyl systems is similar to the π‐stacking interaction energy and, consequently, at least tricationic systems are required to fully uncouple the π‐stacked pyridine substituents.
Gold Catalysis: No Steric Limitations in the Phenol Synthesis
Authors: Hashmi A. Stephen K. , Salathé Ralph , Frey Wolfgang
Published: July 2006

Different dihydroisoindol‐4‐ols and 8‐hydroxytetrahydroisoquinolines were prepared by the gold‐catalyzed phenol synthesis. The reaction was investigated with several sterically demanding groups in the 5‐position of the furan starting material. The influence of the reaction time and the catalyst on the yield was investigated.
Drug binding to human serum albumin: Abridged review of results obtained with high‐performance liquid chromatography and circular dichroism
Authors: Ascoli Giorgio A. , Domenici Enrico , Bertucci Carlo
Published: July 2006

The drug binding to plasma and tissue proteins are fundamental factors in determining the overall pharmacological activity of a drug. Human serum albumin (HSA), together with α1‐acid glycoprotein (AGP), are the most important plasma proteins, which act as drug carriers, with drug pharmacokinetic implications, resulting in important clinical impacts for drugs that have a relatively narrow therapeutic index. This review focuses on the combination of biochromatography and circular dichroism as an effective approach for the characterization of albumin binding sites and their enantioselectivity. Furthermore, their applications to the study of changes in the binding properties of the protein arising by the reversible or covalent binding of drugs are discussed, and examples of physiological relevance reported. Perspectives of these studies reside in supporting the development of new drugs, which require miniaturization to facilitate the screening of classes of compounds for their binding to the target protein, and a deeper characterization of the mechanisms involved in the molecular recognition processes. Chirality, 2006. © 2006 Wiley‐Liss, Inc.
A new method for fibrous protein analysis illustrated by application to tubulin microtubule polymerisation and depolymerisation
Authors: Marrington Rachel , Seymour Mark , Rodger Alison
Published: July 2006

A thermostatted micro volume Couette cell has been designed to enable linear dichroism (LD) data to be collected at a range of temperatures. The cell is a development of the traditional Couette flowLDcell and includes the recent development of micro‐volumeLD(20–40 μL) coupled with the addition of a heating element, temperature probe and controller. This new micro volume CouetteLDcell opens the way not only to theLDanalysis of systems where sample volume is critical, but also for theLDanalysis of temperature sensitive samples. The polymerization of the microtubule protein tubulin has been followed in a range of different conditions using the thermostatted micro volume CouetteLDcell. The focusing lenses on the cell, which are required for the microvolume cell, have the side benefit of significantly reducing the light‐scattering artifacts caused by the large size of tubulin microtubules. It is now possible to monitor real‐time polymerization and depolymerization kinetics, and any structural rearrangements of chromophores within the polymer. In the case of tubulin, theLDspectra revealed a greater change in the orientation of tryptophan residues at ∼290 nm during polymerization compared to other contributing chromophores—guanine, phenylalanine, and tyrosine. The improvements in instrumental design have also allowedLDspectra of tubulin to be collected down to ∼230 nm (previous data have only been available from the near UV region), which means that some indication of protein backbone‐orientation changes are now available. It was observed during this work that apparentLDintensity maxima are in fact artifacts when the high‐tension voltage is high. The onset of such artifacts has been observed at much lower voltages with light‐scattering fibrous proteins (including tubulin) than with nonscattering samples. Therefore, caution must be used when interpretingLDdata collected with medium to high photomultiplier tube voltages. Chirality, 2006. © 2006 Wiley‐Liss, Inc.
Synthesis and Characterization of a Noncovalently Linked Porphyrin‐[1,2‐(1‐acridin‐10′‐yl‐2‐aza‐2‐methylprop‐1,3‐ylene)‐fullerene] Dyad
Authors: Xiang Yun , Wei Xian‐Wen , Zhang Xin‐Ming , Zha Qing‐Qing , Sun Jian , Yin Gui , Xu Zheng
Published: July 2006

1,2‐(1‐Acridin‐10′‐yl‐2‐aza‐2‐methylprop‐1,3‐ylene)fullerene was synthesized firstly and characterized by UV‐Vis, 1H NMR, 13C NMR and electrospray ionization mass spectroscopy, which is capable of forming a stable complex with zinc tetraphenylporphyrin via the axial ligation. The steady state fluorescence studies show efficient quenching of the zinc tetraphenylporphyrin emission upon axial coordination of acridine attached to C60.
Ionization and Dissociation of Nitrosyl Chloride Molecule in the Intense Femtosecond Laser Field
Authors: Yao Li , Ge Mao‐Fa , Wang Dian‐Xun , Wu Cheng‐Yin , Xu Nan , Gong Qi‐Huang
Published: July 2006

Ionization and dissociation of nitrosyl chloride ClNO were studied using femtosecond laser mass spectra technique. Strong fragmental ions NO+and Cl+were observed with the laser intensity varied from 3.2×1014 to 2.5×1015 W/cm2. These fragmental ions were attributed to the direct dissociation of the parent ions. Electronic structure calculations were also carried out with Hartree‐Fock, density functional and correlated levels of theory to understand the possible fragmentation pathways. The very low N–Cl bond energy in the parent ion of nitrosyl chloride is a clear reason for the absence of ClNO+ and ClN+ ion peaks from the femtosecond laser mass spectrum.
Preparation of Pt‐MoOx/CNT Electrode and Its Electrocatalytic Property for Ethanol Electrooxidation
Authors: Wang Ming‐Yong , Li Jin‐Hua , Cui Kun‐Zai
Published: July 2006

MoOx, a non‐noble secondary catalyst instead of noble metal Ru, was dispersed on carbon nanotubes (CNT) and then the primary catalyst Pt was electrodeposited on MoOx/CNT/graphite electrode by potential‐step method. CNT used was grown directly on graphite disk by chemical vapor deposition. The Pt‐MoOx/CNT/graphite electrode was characterized by scanning electron microscopy and energy dispersive X‐ray spectroscopy. The electrocatalytic property and the long‐term cyclic stability of Pt‐MoOx/CNT/graphite electrode for ethanol oxidation have been investigated in 1.0 mol/L CH3CH2OH+0.1 mol/L H2SO4 by cyclic voltammetry. On the other hand, the effect of the loading mass of MoOx on specific activity of Pt‐MoOx/CNT/graphite electrode and the activation energy of ethanol oxidation were investigated. The Pt‐MoOx/CNT/graphite electrode shows good long‐term cyclic stability. 82% value of peak current density at the oxidation peak around 0.69 V (vs. SCE) remains after 500 cycles, which is higher than those of Pt/CNT/graphite and Pt‐Ru/CNT/graphite electrodes with the corresponding values of 55% and 72%, respectively.
Theoretical Study on N–H···O Blue‐shifted H‐Bond for HNO···H2O2Complex
Authors: Yang Yong , Zhang Wei‐Jun , Gao Xiao‐Ming
Published: July 2006

A theoretical study on the blue‐shifted H‐bond N–H···O and red‐shifted H‐bond O–H···O in the complex HNO···H2O2was conducted by employment of both standard and counterpoise‐corrected methods to calculate the geometric structures and vibrational frequencies at the MP2/6‐31G(d), MP2/6‐31+G(d,p), MP2/6‐311++G(d,p), B3LYP/6‐31G(d), B3LYP/6‐31+G(d,p) and B3LYP/6‐311++G(d,p) levels. In the H‐bond N–H···O, the calculated blue shift of N–H stretching frequency is in the vicinity of 120 cm−1and this is indeed the largest theoretical estimate of a blue shift in the X–H···Y H‐bond ever reported in the literature. From the natural bond orbital analysis, the red‐shifted H‐bond O–H···O can be explained on the basis of the dominant role of the hyperconjugation. For the blue‐shifted H‐bond N–H···O, the hyperconjugation was inhibited due to the existence of significant electron density redistribution effect, and the large blue shift of the N–H stretching frequency was prominently due to the rehybridization of spnN–H hybrid orbital.
Sol‐gel‐derived Poly(dimethylsiloxane) Enzymatic Reactor for Microfluidic Peptide Mapping
Authors: Wu Hui‐Ling , Yang Peng‐Yuan , Fan Guo‐Rong , Tian Yu‐Ping , Lu Hao‐Jie , Jin Hong
Published: July 2006

The silica‐based poly(dimethylsiloxane) (PDMS) microfluidic enzymatic reactor was reported along with its analytical features in coupling with MALDI TOF and ESI MS. Microfluidic chip was fabricated using PDMS casting and O2‐plasma techniques, and used for the preparation of enzymatic reactor. Plasma oxidation for PDMS enabled the channel wall of microfluidics to present a layer of silanol (SiOH) groups. These SiOH groups as anchors onto the microchannel wall were linked covalently with the hydroxy groups of trypsin‐encapsulated sol matrix. As a result, the leakage of sol‐gel matrix from the microchannel was effectively prevented. On‐line protein analysis was performed with the microfluidic enzymatic reactor by attachment of stainless steel tubing electrode and replaceable tip. The success of trypsin encapsulation was investigated by capillary electrophoresis (CE) detection, and MALDI TOF and ESI MS analysis. The lab‐made device provided excellent extent of digestion even at the fast flow rate of 7.0 (L/min with very short residence time of ca. 2 s. In addition, the encapsulated trypsin exhibits increased stability even after continuous use. These features are the most requisite for high‐throughput protein identification.
Homocoupling of Aryl Bromides Catalyzed by Nickel Chloride in Pyridine
Authors: Tao Xiao‐Chun , Zhou Wei , Zhang Yue‐Ping , Dai Chun‐Ya , Shen Dong , Huang Mei
Published: July 2006

Pyridine was used as a solvent for homocoupling of aryl bromides catalyzed by nickel chloride/triarylphosphine in the presence of zinc and recycled easily. Triphenylphosphine was the best ligand for nickel in this coupling reaction.
Synthesis and Structure Elucidation of New Spiro Compounds with Per(poly)fluoroalkyl Group
Authors: Shi Zhi‐Jian , Ni Hua‐Wen , Cao Wei‐Guo , Liu Wei‐Xia , Liang Chao
Published: July 2006

A series of spiro compounds have been synthesized via several steps. The structure of these compounds were confirmed by 1H NMR, 13C NMR, IR, MS spectra and X‐ray diffraction analysis. The possible mechanism to form these products was also proposed.
The Birmingham International Workshop on Supportive, Palliative, and End‐of‐Life Care Research
Authors: Hagen Neil A. , Addington‐Hall Julia , Sharpe Michael , Richardson Alison , Cleeland Charles S. ,   on Behalf of the Participants
Published: July 2006

The authors outline the context, discussions, and recommendations of the International Symposium on Supportive, Palliative, and End of Life Care, which was held October 5 and 6, 2005 in Birmingham, England. The potential benefits and challenges of international collaborative research activities are highlighted in supportive, palliative, and end‐of‐life care within the broader health care research community.
Phase II trial evaluating a docetaxel‐capecitabine combination as treatment for hormone‐refractory prostate cancer
Authors: Ferrero Jean‐Marc , Chamorey Emmanuel , Oudard Stephane , Dides Sabine , Lesbats Gerard , Cavaglione Gerard , Nouyrigat Pierre , Foa Cyril , Kaphan Regis
Published: July 2006

BACKGROUND.

Docetaxel is a well‐recognized drug in patients with hormone‐refractory prostate cancer (HRPC), either alone or combined with estramustine. In this indication, a Phase II trial was conducted investigating a docetaxel‐capecitabine combination.

METHODS.

Forty‐six patients presenting with documented HRPC were enrolled in the study. The treatment regimen consisted of docetaxel (D) at a dose of 35 mg/m2/week (intravenously, 3 consecutive weeks) plus oral capecitabine (C) at a dose of 625 mg/m2 twice daily (Days 5–18) every 28 days for 4 cycles. The primary endpoint was the biological response defined as a reduction in prostate‐specific antigen (PSA) level ≥50%. Secondary endpoints were overall survival, safety, and quality of life.

RESULTS.

Thirty of 44 assessable patients (68.2%) achieved a biological response, 14 of whom (31.8%) normalized their PSA value. The median overall survival time was 17.7 months (95% confidence interval, 15.8 to not reached). Four treatment cycles were completed by 87% of the patients. Hematologic toxicity was mild. The main Grade 3–4 toxicities were cutaneous toxicity (13.1%) and changes in nails (6.5%). Physical functioning and role scales were higher before treatment (P = .02 and P = .003, respectively), fatigue and diarrhea were more frequent during and after treatment (P = .0003 and P = .03, respectively), and pain was lower during and after treatment.

CONCLUSIONS.

The results of the current study demonstrated the high efficacy of the DC combination in patients with HRPC, and the associated good tolerability. This combination offers a new alternative to the docetaxel‐estramustine combination. Further randomized trials are warranted. Cancer 2006. © 2006 American Cancer Society.
Detection of occult sentinel lymph node micrometastases by immunohistochemistry in breast cancer
Authors: Weaver Donald L. , Krag David N. , Manna Edward A. , Ashikaga Takamaru , Waters Brenda L. , Harlow Seth P. , Bauer Kenneth D. , Julian Thomas B.
Published: July 2006

BACKGROUND.

Occult metastases, by definition, are not detected on initial examination. They may be present on slides but missed during screening or may be present in paraffin embedded tissue blocks and undetected without additional levels. Anticytokeratin immunohistochemistry (CK IHC) enhances detection of occult metastases, particularly micrometastases (>0.2 mm but not larger than 2.0 mm) or isolated tumor cell clusters (≤0.2 mm). This study defines the rate at which pathologists miss metastases on CK IHC of sentinel lymph nodes (SLN).

METHODS.

CK IHC sections 0.5 and 1.0 mm from the original surface of SLN tissue blocks were screened by pathologists using standard bright field light microscopes (LM) and by supervised computer assisted cell detection (CACD). All blocks were from breast cancer patients, initially classified ‘node negative’ on review of routinely stained sections from the surface of each block. Cases missed by LM screening but detected by CACD defined false negative screens.

RESULTS.

Of 236 cases screened, LM detected 34 (14.4%; 95% CI: 9.6‐20.2) cases and, in the 202 cases negative by LM, CACD detected an additional 30 (14.9%; 95% CI: 9.6‐21.2%) cases with occult metastases. Occult metastases missed by LM screening ranged from 0.01 to 0.1 mm in greatest dimension. The probability of missing an occult metastasis ≤0.02 mm; ≤0.05 mm, and ≤0.10 mm was 75%, 69.2%, and 61.2%, respectively. No occult metastases larger than 0.10 mm were missed by LM screening.

CONCLUSIONS.

Pathologists screening the CK IHC stained slides may frequently miss detecting metastases <0.10 mm. Cancer 2006. © 2006 American Cancer Society.
A method for time accurate turbulent compressible fluid flow simulation with moving boundary components employing local remeshing
Authors: Hassan O. , Sørensen K. A. , Morgan K. , Weatherill N. P.
Published: July 2006

A method for the solution of time‐dependent, turbulent, compressible flows involving geometries that change in time is presented. The governing equations are discretized using a finite volume method using a special dual mesh definition, specially tailored for the hybrid meshes used. A geometrically conservative way of treating these meshes is formulated. The discretized equations are implicit in time, and are solved by a dual time approach. The subiterations involved are performed using multigrid acceleration with explicit relaxation. For moving geometries, the mesh is deformed using a spring analogy approach combined with local remeshing. The approach is demonstrated for several flows of practical interest. Copyright © 2006 John Wiley & Sons, Ltd.
Importance of patient examination to clinical quality assurance in head and neck radiation oncology
Authors: Rosenthal David I. , Asper Joshua A. , Barker Jerry L. , Garden Adam S. , Chao K. S. Clifford , Morrison William H. , Weber Randal S. , Ang K. Kian
Published: July 2006

Background.

When quality assurance programs in clinical radiation oncology focus mainly on the technical aspects of treatment, they tend to underplay questions of therapeutic process and outcome. We determined the value of clinical peer review in radiation therapy for head and neck cancer that involved head and neck examination.

Methods.

Data were collected prospectively on 134 consecutive patients with preliminary radiation therapy (RT) plans. Peer review was performed that included head and neck examination and imaging review to confirm target localization.

Results.

Peer review led to changes in treatment plans for 66% of patients. Most changes were minor, but 11% of changes were major and thought to be of a magnitude that could potentially affect therapeutic outcome or normal tissue toxicity. Most changes involved target delineation based on physical findings

Conclusions.

Peer review of radiation target localization in RT plans led to changes that could potentially affect rates of cancer control or complication in about 10% of patients. We suggest that the accuracy of head and neck radiation oncology treatment plans might be increased by co‐examination by another head and neck cancer specialist, typically a radiation oncologist or head and neck surgeon, to confirm RT target volumes. © 2006 Wiley Periodicals, Inc. Head Neck, 2006
Dynamic mapping of normal human hippocampal development
Authors: Gogtay Nitin , Nugent Tom F. , Herman David H. , Ordonez Anna , Greenstein Deanna , Hayashi Kiralee M. , Clasen Liv , Toga Arthur W. , Giedd Jay N. , Rapoport Judith L. , Thompson Paul M.
Published: July 2006

The hippocampus, which plays an important role in memory functions and emotional responses, has distinct subregions subserving different functions. Because the volume and shape of the hippocampus are altered in many neuropsychiatric disorders, it is important to understand the trajectory of normal hippocampal development. We present the first dynamic maps to reveal the anatomical sequence of normal human hippocampal development. A novel hippocampal mapping technique was applied to a database of prospectively obtained brain magnetic resonance imaging (MRI) scans (100 scans in 31 children and adolescents), scanned every 2 yr for 6–10 yr between ages 4 and 25. Our results establish that the structural development of the human hippocampus is remarkably heterogeneous, with significant differences between posterior (increase over time) and anterior (loss over time) subregions. These distinct developmental trajectories of hippocampal subregions may parallel differences in their functional development. Published 2006 Wiley‐Liss, Inc.