bluuebunny/crossref_metadata_2025_split huggingface dataset:
LRRK2 expression linked to dopamine‐innervated areas
Authors: Galter Dagmar , Westerlund Marie , Carmine Andrea , Lindqvist Eva , Sydow Olof , Olson Lars 
Published: March 2006

AbstractObjectiveLeucine‐rich repeat kinase 2 (LRRK2) has been linked to Parkinson's disease. Our study explores the expression of LRRK2 in human and rodent brain tissue.MethodsWe analyzed LRRK2 gene activity at the cellular level using in situ hybridization.ResultsWe found a high and strikingly specific expression of LRRK2 mRNA in rodent striatum and parts of cortex and no signals in dopamine neurons. In human tissue, LRRK2 mRNA was found in the corresponding brain areas caudatus and putamen at lower levels and dopamine neurons were also devoid of LRRK2 mRNA. Expression levels in striatal tissue did not differ between Parkinson's disease patients and control subjects.InterpretationUnlike all other genes so far linked to Parkinson's disease, our results demonstrate that LRRK2 expression is particularly high in brain dopaminoceptive areas. Ann Neurol 2006
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

AbstractTreatment 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

AbstractAlthough 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

AbstractThis 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

AbstractThis 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

AbstractThe 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

AbstractIt 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

AbstractIn 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.
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

AbstractThis 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

AbstractAn 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

AbstractBased 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

AbstractA 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

AbstractClassical 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

AbstractReaction 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

AbstractA 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

AbstractHere 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

AbstractIntroduction 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.