bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis, Anticonvulsant, and Anti‐inflammatory Activities of Some New Benzofuran‐Based Heterocycles
Authors: Dawood Kamal M. , Abdel‐Gawad Hassan , Ellithey Mohey , Mohamed Hanan A. , Hegazi Bahira
Published: March 2006

Treatment of 2‐bromoacetylbenzofuran (2) with pyridine afforded its corresponding pyridinium bromide 3. The latter salt reacted with some activated alkenes and acetylenes to give the corresponding indolizine derivatives. Treatment of the salt 3 with benzylidenemalononitriles 9 afforded polysubstituted aniline derivatives, however with arylidenecyanothioacetamides 15 it gave the corresponding 4,5‐dihydrothiophenes. Bromide 3 also coupled with p‐chlorobenzenediazonium salt followed by ammonium acetate to give the corresponding 1,2,4,5‐tetrazine derivative. The biological activity of the newly synthesized compounds was examined and some of them were found to possess anticonvulsant and anti‐inflammatory activities.
Substrate specificity of lipases in alkoxycarbonylation reaction: QSAR model development and experimental validation
Authors: Chandrasekaran Sangeetha M. , Bhartiya Sharad , Wangikar Pramod P.
Published: March 2006

Although lipases are known to catalyze alkoxycarbonylation reactions in organic solvents, the existing knowledge base on their substrate specificity in alkoxycarbonylation reaction is sparse. Moreover, models to predict substrate specificity have not been reported. Here, we report the experimentally measured rate constants for 180 acyl donor‐alcohol pairs and demonstrate the two‐step synthesis of over 70 disubstituted carbonate products from simple precursors such as diphenyl carbonate and alcohols. The efficiency of synthesis was found to be dependent on the order of alcohol addition. This motivated the need to develop a model to predict lipase specificity in alkoxycarbonylation reactions. A partial least square model has been developed to correlate the reaction rate with (i) descriptors of alcohol for a fixed acyl donor, (ii) descriptors of acyl donor for a fixed alcohol, (iii) descriptors of both the acyl donor and the alcohol. The number of descriptors being far greater than the number of observations was a potential limitation in the model development. This was addressed by selecting a subset of descriptors using a systematic procedure based on (a) correlation among the descriptors and step‐wise regression methodology, and (b) variable influence on projection methodology. The model was able to accurately predict the reaction rate and the optimal order of addition of alcohols in the two‐step synthesis of disubstituted carbonates using the enzyme mixture. The descriptor subset and the relevant model would benefit the users of lipases in synthetic applications while the modeling strategy presented here can have applications in predicting specificity of other enzymes. © 2006 Wiley Periodicals, Inc.
Psychotic symptoms and disorders and the risk of violent behaviour in the community
Authors: Swanson Jeffrey W. , Borum Randy , Swartz Marvin S. , Monahan John
Published: March 2006

This study uses data from the Epidemiologic Catchment Area (ECA) surveys to examine the strength of the association between psychotic symptoms and violent behaviour, controlling for underlying mental disorder, substance abuse, sociodemographic characteristics and use of mental health services, in a representative sample of community residents. A replication is conducted of a study that found an increased risk of violence associated with a particular cluster of psychotic symptoms involving perceived threat and internal control‐override (TCO). Respondents who reported TCO symptoms were about twice as likely to engage in assaultive behaviour as those with hallucinations or other psychotic symptoms, and about five times as likely as those with no mental disorder. The combination of substance use disorders with TCO symptoms added significantly to the risk of violent behaviour. Those with a history of using mental health services also posed a higher risk of violence, probably due to the differential selection of more severely ill and ‘dangerous’ individuals into treatment settings. Copyright © 1996 Whurr Publishers Ltd.
Sexual offence recidivism: prediction versus understanding
Authors: Grubin Don , Wingate Sarah
Published: March 2006

This paper identifies from the literature risk factors for reoffending in convicted sex offenders. Unless all sex offenders are to be incarcerated for indeterminate lengths of time, some means to separate higher from lower risk men is clearly necessary. The complexities of the move from identifying high‐risk groups to predicting risk in specific individuals is discussed. It is argued that the focus should be shifted from the search for single, putatively predictive variables to an attempt to understand why recidivism occurs. Copyright © 1996 Whurr Publishers Ltd.
The association of psychiatric disorders with suicide attempts in a juvenile delinquent sample
Authors: Rohde Paul , Mace David E. , Seeley John R.
Published: March 2006

The goal of this study was to examine the degree to which psychiatric disorders (current and lifetime) are associated with a history of suicide attempt in a sample of juvenile delinquents. Sixty adolescents in a secure detention facility participated in diagnostic interviews assessing most psychiatric disorders according to DSM‐III‐R criteria. Although this population appears to have numerous psychiatric problems, suicide attempts were primarily associated with the internalising problems of depression (major depression and dysthymia) and anxiety disorders. Suicide attempt rates were approximately twice as high for adolescents with these disorders compared with adolescents who had not experienced the disorder. Cannabis use disorders were associated with a trend (p = 0.051) for lower lifetime suicidal behaviour. Conduct and oppositional defiant disorders were associated with higher rates of suicide attempts in boys but lower rates of attempts in girls. The co‐occurrence of psychiatric disorders did not significantly increase the likelihood of suicide attempt, although the pattern of results was in the predicted direction. Understanding the determinants of suicidal behaviour in detained adolescents has important clinical and theoretical implications. Efforts are clearly needed to treat depression actively in this population. Copyright © 1997 Whurr Publishers Ltd.
The association of early risk factors to opiate addiction and psychological adjustment
Authors: Nurco David N. , Hanlon Thomas E. , O'grady Kevin E. , Kinlock Timothy W.
Published: March 2006

It is clear that family/parental peer and individual risk factors that appear early in life contribute to increased susceptibility to addiction. This study aimed to determine the relationship between those risk factors, the development of opiate addiction, and the development of psychological maladjustment in addicts. A total of 252 subjects were selected from in and around Baltimore, aged less than 40 years, and 12 or older at the onset of opiate addiction. There were 342 controls from the same neighbourhood, matched for age, race and place of reidence, but free from opiate addiction. Ten risk factors in the five domains of family disruption, peer deviance, personal deviance, psychological symptoms and lack of protective factors, were studied. The addicts and the non‐addicts had different risk profiles comparing black and white people, whilst a significant differentiation was found for each race: white addicts scored significantly higher than non‐white on all of the risk factors, whereas black addicts scored significantly higher than black non‐addicts on risk factors denoting peer school misbehaviour and fighting, personal drug abuse and behavioural deviance. The study has implications for both the course and treatment of drug addiction. The findings suggest that as well as being a causal agent, drug addiction is a concomitant feature of a variety of problems. Copyright © 1997 Whurr Publishers Ltd.
Psychiatric disorder in an Irish female prison
Authors: Mohan Damian , Scully Paul , Collins Claire , Smith Charles
Published: March 2006

In this study we sought to determine the prevalence and associated features of psychiatric disorder in an Irish women's prison. Using a structured interview (SCAN), 45 out of a total of 80 women prisoners who were admitted over a three‐month period were assessed. This assessment took place following their reception to the women's prison at Mountjoy Prison, Dublin. Diagnoses were assigned by applying DSM‐IV criteria. Previous medical, psychiatric and legal histories were recorded. Twenty‐six (58%; CI: 42.2–72.3) met DSM‐IV criteria for substance dependence, and 21 (81%) of these were re‐offenders. Eleven (24%; CI: 12.9–39.5) of women prisoners met DSM‐IV criteria for other Axis‐I diagnoses, including one prisoner with a psychosis, and eight (18%; CI: 8.0–32.1) had no Axis‐I diagnosis. A statistically significant relationship was found to exist between broad diagnostic category and age, with younger prisoners being more likely to be substance‐dependent and older prisoners more likely to have other Axis‐I diagnoses. Half of those with any Axis‐I diagnosis had received previous psychiatric treatment and none of these had been in long‐term care. These findings underline the high level of psychiatric morbidity among women prisoners. The high percentage of substance‐dependent recidivists raises concerns regarding the current ability of the legal, psychiatric and social systems to deal with these problems adequately. Copyright © 1997 Whurr Publishers Ltd.
Self‐harm shows diurnal variation
Authors: Hardie Timothy J.
Published: March 2006

Incidents of self‐harm at a medium secure unit in England over a four‐year period showed a clear evening peak in frequency. This observation of a diurnal variation in rate of self‐harm supports work from other studies and merits further investigation. Copyright © 1998 Whurr Publishers Ltd.
Discharged from special hospital under restrictions: a comparison of the fates of psychopaths and the mentally ill
Authors: Steels Mark , Roney Gerry , Larkin Emmet , Jones Peter , Croudace Tim , Duggan Conor
Published: March 2006

This study sought to compare the long‐term course and outcome of a group of special hospital discharges subdivided by their legal classification into those with psychopathic disorder or with mental illness. Serial case‐note reports on 75 men and 20 women with psychopathic disorder were compared with 70 men and 19 women with mental illness (93% schizophrenia) on a number of outcome measures. The mentally ill were matched to a consecutive group with psychopathic disorder and all the patients were on restriction orders. Mortality for both men and women was twice that of the population base rate adjusted for age and the length of follow‐up but there was no difference between the two groups. Both sex and the legal classification affected the course of patients after their discharge. Men with psychopathic disorder were twice as likely to be convicted and four times more likely to be imprisoned compared with mentally ill men. They were also three times more likely to obtain work and four times more likely to develop a relationship. Females generally had a more satisfactory outcome than males irrespective of the MHA classification. These results show that outcome after discharge is complex with re‐offending and psychosocial adjustment being discordant. We confirm previous findings that offending is more common among men with psychopathic disorder after discharge, despite which the long‐term course for many in this group was very good. We also identify men with mental illness as having a poor psychosocial outcome. Copyright © 1998 Whurr Publishers Ltd.
The Christchurch prisons psychiatric epidemiology study: methodology and prevalence rates for psychiatric disorders
Authors: Brinded Philip M.J. , Stevens Isobel , Mulder Roger T. , Fairley Nigel , Malcolm Fiona , Wells J. Elizabeth
Published: March 2006

An investigation into psychiatric morbidity in the prisons in Christchurch, New Zealand is described. There are no previously published epidemiology studies concerning New Zealand prison inmates. A total of 225 inmates were approached to take part in the study representing a census of female inmates and remanded males and a randomly selected cohort of 125 sentenced males. Interviewers administered the Composite International Diagnostic Instrument – Automated (CIDI‐A), a structured interview that generated both DSM‐III‐R and ICD 10 diagnoses. Interviews were completed on 183 inmates. Results reveal high lifetime and current prevalence rates for drug and alcohol abuse and dependence as well as high current and lifetime prevalence rates for affective disorders. Schizophrenia had a lifetime prevalence rate of 5% in the sentenced male population. Comparison with community epidemiological figures for psychiatric disorder reveal elevated lifetime and current prevalence rates among prison inmates for all major psychiatric diagnoses except generalized anxiety disorder. Implications for future treatment and service planning in forensic psychiatry are discussed with particular reference to a national epidemiology study of major psychiatric disorder in New Zealand prisons. Copyright © 1999 Whurr Publishers Ltd.
Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms‐In‐Molecules Theory, Does Not Exist
Authors: Poater Jordi , Solà Miquel , Bickelhaupt F. Matthias
Published: March 2006

Based on an Atoms‐in‐Molecules (AIM) analysis, Matta et al. (Chem. Eur. J.2003,9, 1940) recently claimed evidence for the existence of hydrogen–hydrogen bonding betweenortho‐hydrogen atoms, pointing towards each other from adjacent phenyl groups in planar biphenyl. This AIM result is opposed to the classical view that nonbonded steric repulsion between theortho‐hydrogen atoms is responsible for the higher energy of the planar as compared to the twisted geometry of biphenyl. In the present work, we address the question if hydrogen–hydrogen bonding in biphenyl exists, as suggested by AIM, or not. To this end, we have analyzed the potential energy surface for internal rotation of biphenyl in terms of two interacting phenyl radicals using density functional theory (DFT) at BP86/TZ2P. A detailed analysis of the bonding mechanism and a quantitative bond energy decomposition in the framework of Kohn–Sham DFT show that Pauli (or overlap) repulsion, mainly between CorthoHorthophenyl MOs, prevents biphenyl from being planar and forces it to adopt a twisted equilibrium geometry. Furthermore, a derivative of biphenyl in which all fourortho‐hydrogen atoms have been removeddoesadopt a planar equilibrium geometry. Thus, our results confirm the classical view of steric repulsion betweenortho‐hydrogen atoms in biphenyl and they falsify the hypothesis of hydrogen–hydrogen bonding.
Supported Absorption of CO2 by Tetrabutylphosphonium Amino Acid Ionic Liquids
Authors: Zhang Jianmin , Zhang Suojiang , Dong Kun , Zhang Yanqiang , Shen Youqing , Lv Xingmei
Published: March 2006

A new type of “task specific ionic liquid”, tetrabutylphosphonium amino acid [P(C4)4][AA], was synthesized by the reaction of tetrabutylphosphonium hydroxide [P(C4)4][OH] with amino acids, including glycine, L‐alanine, L‐β‐alanine, L‐serine, and L‐lysine. The liquids produced were characterized by NMR, IR spectroscopies, and elemental analysis, and their thermal decomposition temperature, glass transition temperature, electrical conductivity, density, and viscosity were recorded in detail. The [P(C4)4][AA] supported on porous silica gel effected fast and reversible CO2 absorption when compared with bubbling CO2 into the bulk of the ionic liquid. No changes in absorption capacity and kinetics were found after four cycles of absorption/desorption. The CO2 absorption capacity at equilibrium was 50 mol % of the ionic liquids. In the presence of water (1 wt %), the ionic liquids could absorb equimolar amounts of CO2. The CO2 absorption mechanisms of the ionic liquids with and without water were different.
Molecular Dynamics Simulations of p‐tert‐Butylcalix[4]arene with Small Guest Molecules
Authors: Alavi Saman , Afagh Nicholas A. , Ripmeester John A. , Thompson Donald L.
Published: March 2006

Classical molecular dynamics simulations were used to study p‐tert‐butylcalix[4]arene inclusion compounds with xenon, nitrogen, hydrogen, methane, and sulfur dioxide guest molecules. The calixarene units were taken to be rigid and the intermolecular molecular interactions were modeled as a sum of the van der Waals interactions with parameters from the AMBER force field and electrostatic interactions. Simulations of the high‐density α phase and low‐density β0 phase of p‐tert‐butylcalix[4]arene were used to test the force field. The predicted densities of the two phases were found to agree with experimental measurements at 173 K to within 5 %. Simulations were performed with guests placed inside the calixarene cages of the β0 phase. Guest–host ratios of 1:1 to 1:4 were considered. Changes in the unit‐cell volume and density of the phases with the addition of guest molecules and the inclusion energies for the guests were determined. Finally, the dynamics of the guest motion inside the cages were characterized by determining the root‐mean‐square displacements and velocity autocorrelation functions of the xenon and nitrogen guests.
Reaction of Azole Heterocycles with Tris(dimethylamino)borane, a New Method for the Construction of Tripodal Borate‐Centred Ligands
Authors: Bailey Philip J. , Lorono‐Gonzales Daniel , McCormack Chiara , Millican Frances , Parsons Simon , Pfeifer Robert , Pinho Pedro P. , Rudolphi Felix , Sanchez Perucha Alejandro
Published: March 2006

Reaction of 2‐mercapto‐1‐methylimidazole (methimazole) with tris(dimethylamino)borane, B(NMe2)3, provides the tetrahedral dimethylamine adduct of tris(methimazolyl)borane, [(Me2HN)B(methimazolyl)3]. By contrast, imidazole, 2‐methylimidazole, 2‐chloroimidazole and benzimidazole provide the homoleptic tetra‐azolyl systems H[B(azolyl)4], and the same product is obtained even when a substoichiometric quantity of the heterocyle is employed. The change in reaction outcome is correlated with the variation of basic pKa for the heterocycles. A simple acid‐base reaction with elimination of HNMe2 is proposed for the reaction with the weakly basic, but more strongly acidic, methimazole. However, for the more strongly basic imidazoles, initial coordination of the heterocycle imine nitrogen to the weakly Lewis acidic boron centre in B(NMe2)3 to form the tetrahedral adduct [(azole)B(NMe2)3] is proposed. The greater availability of the NMe2 lone pairs in this species results in increased basicity and a rapid reaction with further heterocycle to provide the observed H[B(azolyl)4] products. For 2‐nitroimidazole, the low basicity (and increased NH acidity) results in the formation of [(HNMe2)B(2‐nitroimidazolyl)3] on reaction with B(NMe2)3, analogous to the product formed with methimazole. Both [(HNMe2)B(methimazolyl)3] and H[B(benzimidazolyl)4] have been structurally characterised by single crystal X‐ray crystallography. This chemistry has been exploited to provide a new synthesis of borate‐centred tripod ligands, whereby N‐methylimidazole is used to activate B(NMe2)3 to reaction with methimazole to form the new ligand [(N‐methylimidazole)B(methimazolyl)3] in good yield and a complex of this ligand with RuII has been structurally characterised.
Photooxidative Degradation of Dye Pollutants Accumulated in Self‐Assembled Natural Polyelectrolyte Microshells under Visible Radiation
Authors: Tao Xia , Su Jingmei , Chen Jian‐Feng
Published: March 2006

A novel route to facilitate the degradation of dye pollutants, a class of well‐known recalcitrant organic pollutants, is reported. This new approach is based on a natural polyelectrolyte microshell that was preformed by the alternate adsorption of the anionic alginate sodium (ALG) and the cationic chitosan (CHI) onto weakly cross‐linked melamine formaldehyde (MF) colloidal particles, and the subsequent sacrifice of MF templates in 0.1 M HCl. The as‐prepared microshells could accumulate rhodamine B (RhB) and fluorescein (Flu) efficiently in water under ordinary conditions by means of a simple mixing process. The photodegradation of the accumulated RhB and Flu was examined in the presence of Fe3+ and H2O2 under visible radiation. The accumulated RhB and Flu are rapidly degraded and the assembled shells maintain their intact spherical shape throughout the photoreaction process. Results of recycling degradation experiments and the photochemical behavior of the shells, as demonstrated by confocal laser scanning microscopy (CLSM), UV‐visible spectroscopy, and scanning force microscopy (SFM), further suggest that the constructed shells may be used as environmentally friendly microcontainers for the elimination of dyes in wastewater.
A Spontaneous Combustion Reaction for Synthesizing Pt Hollow Capsules Using Colloidal Carbon Spheres as Templates
Authors: Yang Ruizhi , Li Hong , Qiu Xinping , Chen Liquan
Published: March 2006

Here we report a spontaneous combustion reaction in synthesizing Pt hollow capsules. In brief, Pt nanoparticles were loaded on the surface of colloidal carbon spheres by wet‐chemical impregnation. When Pt‐loaded carbon spheres were taken out of an argon‐filled tube furnace at room temperature and exposed to air, they underwent spontaneous combustion. The internal carbon spheres templates were removed to leave nanostructured Pt hollow capsules. There are at least two critical conditions for the occurrence of the spontaneous combustion: the Pt particle size is below 5.8 nm, and the hydrogen content in the carbon spheres is above 2.570 wt %. Such a reaction is interesting for the preparation of metal hollow spheres and is also relevant with respect to removal of accumulated carbon on catalysts and for soot oxidation at room temperature.
Towards Photocontrol over the Helix–Coil Transition in Foldamers: Synthesis and Photoresponsive Behavior of Azobenzene‐Core Amphiphilic Oligo(meta‐phenylene ethynylene)s
Authors: Khan Anzar , Hecht Stefan
Published: March 2006

Introduction of photochromic azobenzene units into amphiphilic oligo(meta‐phenylene ethynylene)s allowed photocontrol over the helix–coil transition in this important class of foldamers. Two design principles were followed in efforts to accommodate cis‐ and trans‐azobenzene moieties within the helical structure to selectively turn the helical state on and off, respectively. Several oligomer series with varying connectivities to the central azobenzene chromophore were synthesized and these photochromic oligomers were investigated with regard to their folding behavior in both dark and irradiated states. Both the foldamers’ chain lengths and the electronic structures of the azobenzene moieties had to be optimized to ensure folding differences and selective excitation of the photochrome. The design of such stimuli‐responsive macromolecules, displaying large structural changes upon irradiation, should guide the design of future materials in, for example, “smart” delivery applications.
Pauli Repulsions Exist Only in the Eye of the Beholder
Authors: Bader Richard F. W.
Published: March 2006

This paper presents a rebuttal to the preceding paper in this issue entitled “Hydrogen‐Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms‐In‐Molecules Theory, Does Not Exist”. The arguments presented therein are based on an arbitrary partitioning of the energy into contributions from physically unrealizable states of the system. The response given here is presented in terms of the Feynman, Ehrenfest, and virial theorems of quantum mechanics and the observable properties of a system. A reader is thus free to choose between subjectivity or physics.
Cover Picture: Interplay of p‐Sulfonatocalix[4]arene and Crown Ethers En Route to Molecular Capsules and “Russian Dolls” (Chem. Eur. J. 10/2006)
Authors: Dalgarno Scott J. , Fisher Julie , Raston Colin L.
Published: March 2006

Russian dolls partially formed through the use of diffusion‐ordered spectroscopy are described by C. L. Raston et al. in the Full Paper on page 2772 ff. Such arrangements have been used to assemble nanometer‐scale cuboctahedral spheroids in the solid state; these results suggest that the build‐up mechanism would be “molecular capsule” to “cuboctahedron”, given the binding of a sodium [18]crown‐6 complex by p‐sulfonatocalix[4]arene (Ka≈3.1×103 M−1), and that the cuboctahedra assemble with lanthanide [18]crown‐6 guest species.
Anion‐π Interactions
Authors: Garau C. , Frontera A. , Quinonero D. , Ballester P. , Costa A. , Deya P. M.
Published: March 2006

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Introduction to diffusion tensor imaging mathematics: Part I. Tensors, rotations, and eigenvectors
Authors: Kingsley Peter B.
Published: March 2006

The mathematical aspects of diffusion tensor magnetic resonance imaging (DTMRI, or DTI), the measurement of the diffusion tensor by magnetic resonance imaging (MRI), are discussed in this three‐part series. In part I, some general features of diffusion imaging are presented briefly, including the relationship between the diffusion ellipsoid and the diffusion tensor. Rotations of vectors and tensors are explained for both two and three dimensions. Rotationally invariant properties of the diffusion tensor are discussed. Calculation of the eigenvectors and eigenvalues of the diffusion tensor, which correspond to the directions of the diffusion ellipsoid axes and the squares of the hemiaxis lengths, is explained. © 2006 Wiley Periodicals, Inc. Concepts Magn Reson Part A 28A: 101–122, 2006.
Introduction to diffusion tensor imaging mathematics: Part II. Anisotropy, diffusion‐weighting factors, and gradient encoding schemes
Authors: Kingsley Peter B.
Published: March 2006

The mathematical aspects of diffusion tensor magnetic resonance imaging (DTMRI, or DTI), the measurement of the diffusion tensor by magnetic resonance imaging (MRI), are discussed in this three‐part series. In part II, different formulas for measuring diffusion anisotropy are compared in two and three dimensions. The use of magnetic field gradients to measure diffusion is explained, including calculation of the diffusion‐weighting b factor. Selection of gradient directions is discussed, with the focus on directions defined by the regular polyhedra (Platonic solids). © 2006 Wiley Periodicals, Inc. Concepts Magn Reson Part A 28A: 123–154, 2006.
Vascular endothelial growth factor, FLT‐1, and FLK‐1 analysis in a pancreatic cancer tissue microarray
Authors: Chung Gina G. , Yoon Harry H. , Zerkowski Maciej P. , Ghosh Sriparna , Thomas Laurie , Harigopal Malini , Charette Lori A. , Salem Ronald R. , Camp Robert L. , Rimm David L. , Burtness Barbara A.
Published: March 2006

BACKGROUND

Measures of vascular endothelial growth factor (VEGF) expression in pancreatic cancer typically have been qualitative or semiquantitative. The objective of this study was to use a series of algorithms called AQUA that quantitatively assesses protein expression on tissue microarrays (TMAs) to compare in situ expression of VEGF and its primary receptors, VEGF receptor 1 (FLT‐1) and VEGF receptor 1 (FLK‐1), on a pancreatic cancer TMA.

METHODS

TMAs were constructed by arraying 1.5‐mm cores from 76 samples of pancreatic adenocarcinoma (1996‐2002) that were obtained from the archives of the Yale Department of Pathology. The staining for AQUA was similar to standard immunohistochemistry and involved antigen retrieval and the application of primary antibodies, but with epifluorescence detection. Slides were counterstained with 4′,6‐diamidino‐2‐phenylindole for nuclear visualization and cytokeratin for membrane visualization. The primary antibodies used were VEGF, FLT‐1, FLK‐1, and cytokeratin.

RESULTS

Disease stage was highly prognostic for outcome, as expected. Total amounts of VEGF and its receptors were assessed within the tumor mask and were divided into quartiles. Kaplan–Meier survival curves showed that VEGF and FLK‐1 were not associated clearly with outcome. However, the expression of FLT‐1 was correlated significantly, and the patients who had tumors with the lowest expression FLT‐1 levels had the worst survival (P = .0038). In multivariate analysis, FLT‐1 expression was an independent prognostic factor for overall survival (P = .0044).

CONCLUSIONS

VEGF and its 2 principal receptors were expressed to varying degrees in tumors of the pancreas. A significant association was found between low expression of FLT‐1 and both poor prognosis and advanced stage, suggesting that tumor expression of this VEGF receptor is a marker of less aggressive disease. Cancer 2006. © 2006 American Cancer Society.
Breast cancer in octogenarians
Authors: Evron Ella , Goldberg Hadassah , Kuzmin Alexander , Gutman Roee , Rizel Shulamith , Sella Avishy , Gutman Haim
Published: March 2006

BACKGROUND

The number of older cancer patients has increased in recent years. Guidelines for their care are often lacking. Data on the natural course of breast cancer and outcome of therapy in this population are needed.

METHODS

The authors undertook a retrospective chart review with complete follow‐up of 135 women diagnosed with localized breast cancer at age 80 years or older, who received standard or less than standard local treatment in 2 tertiary centers in Israel between 1991 and 2001.

RESULTS

Median age at diagnosis was 83 years. In 60 (44%) patients, initial local treatment consisted of modified radical mastectomy or lumpectomy and axillary dissection followed by radiation therapy [standard local treatment (SLT)]; 75 (56%) patients received less than SLT. Tumors were stage T1‐T2 in 90% of cases, 76% of the tumors were hormone‐sensitive. Infiltrating duct carcinoma predominated (90 cases), mostly (80 of 90) Grade 2‐3. Lymph node metastases were detected in 32 of 73 (44%) patients who underwent axillary lymph node dissection. At a median of 70 months after diagnosis, 18 (13%) patients had disease recurrence, and 34 (25%) had died. Axillary failures were detected only in the less‐than‐SLT group. This did not indicate worse overall or disease‐specific survival.

CONCLUSION

Most breast cancer octogenarians in this series lived > 6 years after diagnosis. These data do not support the assumption that breast tumors are histologically more indolent in elderly patients. Less than SLT can be applied to this patient group with somewhat increased axillary failure rates that may be addressed upfront by the sentinel node technique. Cancer 2006. © 2006 American Cancer Society.
Nanoscale Structural and Electronic Properties of Ultrathin Blends of Two Polyaromatic Molecules: A Kelvin Probe Force Microscopy Investigation
Authors: Palermo Vincenzo , Morelli Susanna , Palma Matteo , Simpson Christopher , Nolde Fabian , Herrmann Andreas , Müllen Klaus , Samorì Paolo
Published: March 2006

We describe a Kelvin Probe Force Microscopy (KPFM) study on the morphological and electronic properties of complex mono and bi‐molecular ultrathin films self‐assembled on mica. These architectures are made up from an electron‐donor (D), a synthetic all‐benzenoid polycyclic aromatic hydrocarbon, and an electron‐acceptor (A), perylene‐bis‐dicarboximide. The former molecule self‐assembles into fibers in single component films, while the latter molecule forms discontinuous layers. Taking advantage of the different solubility and self‐organizing properties of the A and D molecules, multicomponent ultrathin films characterized by nanoscale phase segregated fibers of D embedded in a discontinuous layer of A are formed. The direct estimation of the surface potential, and consequently the local workfunction from KPFM images allow a comparison of the local electronic properties of the blend with those of the monocomponent films. A change in the average workfunction values of the A and D nanostructures in the blend occurs which is primarily caused by the intimate contact between the two components and the molecular order within the nanostructure self‐assembled at the surface. Additional roles can be ascribed to the molecular packing density, to the presence of defects in the film, to the different conformation of the aliphatic peripheral chains that might cover the conjugated core and to the long‐range nature of the electrostatic interactions employed to map the surface by KPFM limiting the spatial and potential resolution. The local workfunction studies of heterojunctions can be of help to tune the electronic properties of active multicomponent films, which is crucial for the fabrication of efficient organic electronic devices as solar cells.
The hurdle analysis. A self‐evaluation tool for municipalities to identify, analyse and overcome hurdles to green procurement
Authors: Günther Edeltraud , Scheibe Lilly
Published: March 2006

It has been known for years that green public procurement can stimulate innovation. Even so, all initiatives to promote it have not sufficiently changed the procurement process in municipalities so far. What are the reasons for this? This article presents on the one hand the search for possible reasons – so‐called hurdles – with the help of hurdle analysis, and on the other hand a self‐evaluation tool for municipalities to identify, analyse and overcome hurdles to green procurement.

Hence the hurdle analysis offers a questionnaire to identify hurdles, three assessment methods and a workshop to generate strategies to deal with the most relevant hurdles. With the self‐evaluation tool every municipality will be enabled to accomplish such an analysis and to identify key persons and decision elements within its procurement process, as well as fixing responsibilities and generating solutions on their own. Copyright © 2006 John Wiley & Sons, Ltd and ERP Environment.
Cover Picture: The First Centrohexaindane Bearing Twelve Functional Groups at Its Outer Molecular Periphery and Related Lower Veratrole‐Derived Centropolyindanes (Eur. J. Org. Chem. 7/2006)
Authors: Harig Marco , Kuck Dietmar
Published: March 2006

The cover picture shows a sketch of a recently synthesized polycyclic molecule, 2,3,6,7,10,11,14,15,20,21,26,27‐dodecamethoxycentrohexaindane, bearing six 5,6‐dimethoxyindane units that are mutually fused along the three axes of the Cartesian space. This “Cartesian hexaveratrole” is strictly Td‐symmetrical and topologically nonplanar because of its rigid centrohexaquinane core. It contains three truly linear 2,2′‐spirobiindane units that cross each other at right angles, and consequently, four [3.3.3]propellane and triquinacene moieties and even three [5.5.5.5]fenestrane units, all bearing the veratrole groupings at 90 and 180 ° to each other. Twelve‐fold centrohexaindanes can be envisaged to offer an access to three‐dimensional, supramolecular, highly porous networks in which their intrinsic orthogonality is perpetuated in all directions of the three‐space. Details are discussed in the article by M. Harig and D. Kuck on p. 1647 ff.
Geochemical mapping of carbonate sediments in the Makgadikgadi basin, Botswana using moderate resolution remote sensing data
Authors: White Kevin , Eckardt Frank
Published: March 2006

This paper maps the carbonate geochemistry of the Makgadikgadi Pans region of northern Botswana from moderate resolution (500 m pixels) remotely sensed data, to assess the impact of various geomorphological processes on surficial carbonate distribution. Previous palaeo‐environmental studies have demonstrated that the pans have experienced several highstands during the Quaternary, forming calcretes around shoreline embayments. The pans are also a significant regional source of dust, and some workers have suggested that surficial carbonate distributions may be controlled, in part, by wind regime. Field studies of carbonate deposits in the region have also highlighted the importance of fluvial and groundwater processes in calcrete formation. However, due to the large area involved and problems of accessibility, the carbonate distribution across the entire Makgadikgadi basin remains poorly understood. The MODIS instrument permits mapping of carbonate distribution over large areas; comparison with estimates from Landsat Thematic Mapper data show reasonable agreement, and there is good agreement with estimates from laboratory analysis of field samples. The results suggest that palaeo‐lake highstands, reconstructed here using the SRTM 3 arc‐second digital elevation model, have left behind surficial carbonate deposits, which can be mapped by the MODIS instrument. Copyright © 2006 John Wiley & Sons, Ltd.
Pneumatic impact ignition of selected polymers in high‐pressure oxygen environments
Authors: Hshieh Fu‐Yu , Williams James H.
Published: March 2006

One likely cause of polymer ignition in high‐pressure oxygen systems is adiabatic‐compression heating of polymers, caused by pneumatic impact. This study investigates ignition by pneumatic impact of selected polymers in high‐pressure oxygen environments. Six polymers commonly used in high‐pressure oxygen systems were tested in a pneumatic‐impact test system at 8.3–37.9 MPa oxygen pressures. The six polymers tested were Teflon®(polytetrafluoroethylene), Neoflon®(polychlorotrifluoroethylene), PEEK (polyetheretherketone), Zytel® 42 (Nylon 6/6), Buna N (nitrile rubber), and Viton® A (copolymer of vinylidene fluoride and hexafluoropropylene). This study shows that the ignition of polymers due to pneumatic impact could be initiated by a local heterogeneous reaction between the hot oxygen and the oxidation sites of the polymer, and proposes an ignition mechanism. Ignition susceptibility of a material to the pneumatic impact can be expressed by its ignition probability. The ignition probabilities of the six polymers at the various oxygen pressures are presented. There is no good correlation between the ignition probability and the autoignition temperature. Copyright © 2006 John Wiley & Sons, Ltd.
Timing structural change: a conditional probabilistic approach
Authors: DeJong David N. , Liesenfeld Roman , Richard Jean‐Francois
Published: March 2006

We propose a strategy for assessing structural stability in time‐series frameworks when potential change dates are unknown. Existing stability tests are effective in detecting structural change, but procedures for identifying timing are imprecise, especially in assessing the stability of variance parameters. We present a likelihood‐based procedure for assigning conditional probabilities to the occurrence of structural breaks at alternative dates. The procedure is effective in improving the precision with which inferences regarding timing can be made. We illustrate parametric and non‐parametric implementations of the procedure through Monte Carlo experiments, and an assessment of the volatility reduction in the growth rate of US GDP. Copyright © 2006 John Wiley & Sons, Ltd.
AAV8‐mediated expression of glucocerebrosidase ameliorates the storage pathology in the visceral organs of a mouse model of Gaucher disease
Authors: McEachern Kerry Anne , Nietupski Jennifer B. , Chuang Wei‐Lien , Armentano Donna , Johnson Jennifer , Hutto Elizabeth , Grabowski Gregory A. , Cheng Seng H. , Marshall John
Published: March 2006

Background

Gaucher disease is the most common of the lysosomal storage disorders. The primary manifestation is the accumulation of glucosylceramide (GL‐1) in the macrophages of liver and spleen (Gaucher cells), due to a deficiency in the lysosomal hydrolase glucocerebrosidase (GC). A Gaucher mouse model (D409V/null) exhibiting reduced GC activity and accumulation of GL‐1 was used to evaluate adeno‐associated viral (AAV)‐mediated gene therapy.

Methods

A recombinant AAV8 serotype vector bearing human GC (hGC) was administered intravenously to the mice. The levels of hGC in blood and tissues were determined, as were the effects of gene transfer on the levels of GL‐1. Histopathological evaluation was performed on liver, spleen and lungs.

Results

Vector administration to pre‐symptomatic Gaucher mice resulted in sustained hepatic secretion of hGC at levels that prevented GL‐1 accumulation and the appearance of Gaucher cells in the liver, spleen and lungs. AAV administration to older mice with established disease resulted in normalization of GL‐1 levels in the spleen and liver and partially reduced that in the lung. Analysis of the bronchoalveolar lavage fluid (BALF) from treated mice showed significant correction of the abnormal cellularity and cell differentials. No antibodies to the expressed hGC were detected following a challenge with recombinant enzyme suggesting the animals were tolerized to human enzyme.

Conclusions

These data demonstrate the effectiveness of AAV‐mediated gene therapy at preventing and correcting the biochemical and pathological abnormalities in a Gaucher mouse model, and thus support the continued consideration of this vector as an alternative approach to treating Gaucher disease. Copyright © 2006 John Wiley & Sons, Ltd.
Translated mutation in the Nurr1 gene as a cause for Parkinson's disease
Authors: Grimes David A. , Han Fabin , Panisset Michel , Racacho Lemuel , Xiao Fengxia , Zou Ruobing , Westaff Kelly , Bulman Dennis E.
Published: March 2006

Multiple genes have been now identified as causing Parkinson's disease (PD). In 2003, two mutations were identified in exon 1 of the Nurr1 gene in 10 of 107 individuals with familial PD. To date, investigators have only focused on screening for these known mutations of the Nurr1 gene. All individuals were recruited from two Parkinson's disease clinics in Canada. Following PCR amplification of each exon of the Nurr1 gene, samples underwent denaturing high‐performance liquid chromatography (DHPLC) analysis. Ten individuals also underwent direct sequencing as well as any samples where variants were identified. The Nurr1 gene was evaluated for 202 PD individuals, 37% of whom had at least one relative with PD and 100 control non‐PD individuals. Using DHPLC and direct sequencing, we did not detect any sequence variants in exon 1. Variants in amplicon 6 were seen and direct sequencing confirmed a known NI6P polymorphism in intron 6. Novel polymorphisms were also identified in exon 3 and intron 5. A novel mutation was identified in exon 3 in one nonfamilial PD individual. This heterozygous C‐to‐G transversion resulted in a serine‐to‐cysteine substitution and was not identified in any of the other 602 chromosomes screened. Mutations in the Nurr1 gene in our large cohort of familial and sporadic PD individuals are rare. The novel mutation in exon 3 is predicted to affect phosphorylation and functional studies to assess this are underway. This is the first coding mutation identified in the Nurr1 gene for Parkinson's disease. © 2006 Movement Disorder Society
Histamine H3 receptor agonists reduceL‐dopa–induced chorea, but not dystonia, in the MPTP‐lesioned nonhuman primate model of Parkinson's disease
Authors: Gomez‐Ramirez Jordi , Johnston Tom H. , Visanji Naomi P. , Fox Susan H. , Brotchie Jonathan M.
Published: March 2006

L‐dopa–induced dyskinesia (LID) remains a major complication of the treatment of Parkinson's disease. The neural mechanisms underlying LID are thought to involve overactivity of striatal glutamatergic neurotransmission, with resultant underactivation of the output regions of the basal ganglia. Histamine H3 heteroreceptors can reduce glutamate and γ‐aminobutyric acid (GABA) transmission in the striatum and substantia nigra reticulata, respectively. Thus, we tested whether the histamine H3 receptor agonists immepip and imetit can alleviate LID in the MPTP‐lesioned marmoset model of Parkinson's disease. Coadministration of immepip (1 mg/kg) withL‐dopa (15 mg/kg) was associated with significantly less total dyskinesia thanL‐dopa alone. When dyskinesia was separately rated as chorea and dystonia, coadministration ofL‐dopa with either immepip or imetit (both 10 mg/kg) significantly reduced chorea but had no effect on dystonia. The antidyskinetic actions of the H3 agonists were not accompanied by alteration of the antiparkinsonian actions ofL‐dopa. However, immepip (10 mg/kg), when administered as monotherapy, significantly increased parkinsonian disability compared to vehicle. Overall, the results obtained in this study suggest that histamine H3 receptors may be involved in the neural mechanisms underlyingL‐dopa–induced dyskinesia in Parkinson's disease. © 2006 Movement Disorder Society
Clinical and urodynamic features according to subjective symptom severity in female urinary incontinence
Authors: Ku Ja Hyeon , Shin Jae Wook , Oh Seung‐June , Kim Soo Woong , Paick Jae‐Seung
Published: March 2006

Aims

The aim of this study was to determine the relationship between subjective symptom severity and clinical or urodynamic parameters and to compare these parameters according to subjective symptom severity.

Methods

A total of 268 female patients with grade II (n = 94) and grade III (n = 174) according to the Ingelman–Sundberg scale were included in the study. Mean patient age was 55.9 years (range 28–80). Of 268 patients, 196 women (73.1%) complained of stress urinary incontinence (SUI) and 72 (26.9%) reported additional symptoms of urge urinary incontinence (UUI). Fifty‐four (20.1%) women previously had hysterectomies and 12 (4.5%) underwent surgery for UI.

Results

Patients with severe incontinence (grade III) are older, have longer duration of symptoms, concomitant urgency or UUI, and low maximal urethral closure pressure and low Valsalva leak point pressure (VLPP). No difference in other characteristics including pad test loss and urethral mobility was observed in the two groups. In the multivariate logistic regression analysis, a longer duration of symptoms was associated with an increased likelihood of severe symptoms (P = 0.025). Patients with mixed incontinence were at five‐fold increased risk of severe symptoms compared with those with SUI only (P = 0.011). In the same model, increasing VLPP was associated with a decreased likelihood of severe symptoms (P = 0.037).

Conclusions

Longer symptom duration, mixed incontinence and low VLPP have independent effects on the severity of incontinence. Our findings suggest that incontinent patients with sphincteric impairment or urge component may have and increased probability of severe symptoms. Neurourol. Urodynam. 25:215–220, 2006. © 2006 Wiley‐Liss, Inc.
Facilitating communication between the diabetes and renal transplant units
Authors: Kemp D
Published: March 2006

This article discusses facilitating communication between renal and diabetes centres at Portsmouth, Hampshire, UK. It aims to highlight the importance of joint management, promoting consistency in delivery of care and minimising associated risk factors for patients with chronic renal failure and diabetes mellitus. A joint team identified aims for the service incorporating short‐ and long‐term management. The initial focus group were transplant patients with established diabetes mellitus and those who developed NODAT (new onset diabetes after transplant) post renal transplant. A nurse‐led clinic commenced reviewing newly transplanted recipients on a weekly basis. Future goals incorporate devising a care pathway for transition of care from secondary to primary care. Initial feedback is positive from patients and staff, highlighting the need to identify and treat promptly and raising awareness of whom to contact for advice and support. Copyright © 2006 John Wiley & Sons, Ltd.