bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Studies of Inorganic Compounds. 341) Energy Decomposition Analysis of E–E Bonding in Planar and Perpendicular X2E−EX2 (E = B, Al, Ga, In, Tl; X = H, F, Cl, Br, I)
Authors: Szabó Andrea , Kovács Attila , Frenking Gernot 
Published: July 2005

AbstractThe nature of E–E bonding in group 13 compounds X2E–EX2 (E = B, Al, Ga, In, Tl; X = H, F, Cl, Br, I) has been investigated by means of an energy decomposition analysis (EDA) at the BP86/TZ2P level of theory. The calculated equilibrium geometries of all molecules B2X4−Tl2X4 have a perpendicular (D2d) geometry. The largest energy barriers for rotation about the E‐E bond are predicted for the hydrogen species B2H4−Tl2H4. The EDA shows that the rotational barriers of B2X4−Tl2X4 may not be used for an estimate of the hyperconjugative strength in the D2d structures except for the tetrahydrides. The values for the planar (D2h) transition states reveals that π conjugation of the halogen lone‐pair electrons stabilizes the transition states. The bonding analysis shows that hyperconjugation in B2I4 is stronger than in B2H4 although the latter compound has a higher rotational barrier than the former. In B2F4, hyperconjugative stabilization of the perpendicular structure and conjugative stabilization of the planar structure nearly cancel each other yielding a nearly vanishing rotational barrier. The heavier analogues Al2X4−Tl2X4 have low rotational barriers and rather weak hyperconjugative interactions. The larger rotational barriers of the hydrogen systems Al2H4−Tl2H4 compared with the tetrahalogen compounds is explained with the cooperation of the relatively large hyperconjugation in the perpendicular form and the relatively weak conjugation in the planar transition structures. The EDA also indicates that the electrostatic (ΔEelstat) and molecular orbital (ΔEorb) components of the E–E bonding are similar in magnitude.Thecalculated B‐B bond dissociation energies of B2X4 (De = 93.0–108.4 kcal/mol) show that the bonds are rather strong. The heavier analogues Al2X4−Tl2X4 have weaker bonds (De = 16.6–61.7 kcal/mol). In general, the X2E‐EX2 bond dissociation energies follow the trend for atoms E: B ≫ Al > Ga > In > Tl and for atoms X: H > F > Cl > I.
An Alternative Method for the Preparation of Diphenylboron Chelates. The Crystal and Molecular Structures of (Pyridine‐2‐acetyloximato)diphenylboron and (1‐Phenylazo‐2‐naphtholato)diphenylboron
Authors: Bessler Karl E. , Dourado Elisabeth B. , de S. Carvalho Myller , Lemos Sebastião S. , Ellena Javier 
Published: July 2005

AbstractA convenient method for the preparation of diphenylboron chelates from ammonium tetraphenylborate is described. A variety of five‐ or six‐membered O,O‐, N,O‐ and N,N‐chelates were obtained in yields from 60 to 90 %. The isolated compounds were characterized by elemental analysis, IR spectroscopy and multinuclear magnetic resonance spectroscopy (1H, 13C, and 11B). The crystal and molecular structures of (pyridine‐2‐acetyloximato)diphenylboron and (1‐phenylazo‐2‐naphtholato)diphenylboron were determined by X‐ray diffraction on single crystals.
Hydroxyapatite Crystal Growth on Modified Collagen I‐Templates in a Model Dual Membrane Diffusion System
Authors: Ehrlich Hermann , Douglas Timothy , Scharnweber Dieter , Hanke Thomas , Born René , Bierbaum Susanne , Worch Hartmut 
Published: July 2005

AbstractThe finding of proteoglycans (PG) in mineralized tissues confirms their role in the biomineralization process, but fails to give answers regarding possible detailed mechanisms of interaction. As deglycosilation of PG (especially decorin) is known to be a prerequisite for biomineralisation in vivo, glucuronic acid (GA), as a monomer common to different proteoglycans and glycosaminoglycans, and decorin were studied in mineralization experiments together with collagen type I using the dual membrane diffusion method. It was shown that under fibrillogenesis conditions glucuronic acid and decorin bind to a different extent to collagen. Binding of GA, in contrast to decorin, results in changes in both the fibril morphology and the banding pattern. The mineralization of unmodified collagen templates and of those modified with GA and decorin results in the formation of different calcium phosphate phases. Hydroxyapatite (HAP), as the thermodynamically stable product under the chosen experimental conditions, is formed only in the case of collagen modified with GA. To aid interpretation of this effect, a possible mechanism of glucuronic acid interaction with collagen by a non‐enzymatic glycation pathway is proposed and discussed. Stimulation of HAP formation is explained by the introduction of acidic GA‐carboxylate groups that allow an increase of the electrostatic binding of calcium ions compared to unmodified collagen molecules. Substrates modified in this way should subsequently serve as model templates for the mineralization process in order to make deductions about the mechanism by which acidic groups affect the biomineralization of collagen via the structure of the monomers as well as the architecture of the fibrils.
Coordination Chemistry of Acrylamide 4. Crystal Structures and IR Spectroscopic Properties of Acrylamide Complexes with CoII, NiII, and ZnII nitrates
Authors: Girma K. B. , Lorenz Volker , Blaurock Steffen , Edelmann Frank T. 
Published: July 2005

AbstractAcrylamide complexes of metal nitrates: [M(O‐OC(NH2)CHCH2)n(H2O)m][NO3]2 (M = Co(1), Ni(2) (n = 6 and m = 0) and Zn(3) (n = 4 and m = 2)) have been determined by using single crystal X‐ray diffraction analysis. All complexes crystallize in the triclinic space group ${\rm P}{\bar 1}$. The structures of 1 and 2 represent octahedral species [M(AAm)6]2+ (AAm = O‐OC(NH2)CHCH2 and M = Co or Ni) and uncoordinated nitrate ions. The structure of 3 involves the octahedral cation [Zn(AAm)4(H2O)2]2+ in which the Zn2+ environment includes oxygen atoms of four acrylamide and two water molecules that are stabilized using ionic nitrate ions. The observations of the solid‐state IR spectroscopic vibrational frequencies of these acrylamide complexes are in agreement with the crystal structures.
Synthese und Struktur von [(Ph3PAu)3NPPh3][PF6]2, einem Gold(I)‐phosphoraniminato‐Komplex
Authors: Pivoriunas Gintaras , Maichle‐Mössmer Cäcilia , Schwarz Simon , Strähle Joachim 
Published: July 2005

AbstractSynthesis and Crystal Structure of [(Ph3PAu)3NPPh3][PF6]2, a Gold(I) Phosphoraneiminato ComplexThe photolytic reaction of Ph3PAuN3 with Cr(CO)6 in THF yields the phosphoraneiminato complex [(Ph3PAu)3NPPh3]2+ in low yield as well as the cluster cation [(Ph3PAu)8]2+ as the main product. The phosphoraneiminato complex crystallizes from CH2Cl2 with [PF6]− ions as [(Ph3PAu)3NPPh3][PF6]2·CH2Cl2 in the triclinic space group ${\rm P}{\bar 1}$ with a = 1200.8(1), b = 1495.6(2), 2053.5(5), α = 86.97(2)°, β = 82.79(1)°, γ = 81.87(2)°, and Z = 2. The phosphoraneiminato ligand bridges through its N atom three Au atoms, which itself are connected to each other by weak aurophilic interactions.
Policy Recommendations for Carrier Testing and Predictive Testing in Childhood: A Distinction That Makes a Real Difference
Authors: Hogben Susan , Boddington Paula 
Published: July 2005

AbstractThe genetic testing of children raises many ethical concerns. This paper examines how five position statements from Canada, UK and USA, which present guidelines for good practice in this area produce different recommendations for carrier testing and predictive testing. We find that the genetic information generated through carrier testing is routinely presented as less serious than that generated from predictive testing. Additionally, the reproductive implications of predictive testing are also routinely erased. Consequently, the papers argue strongly against predictive testing but advise caution against carrier testing in somewhat weaker terms. We argue that these differences rest on assumptions about the status of reproduction in people's lives and on an ethical stance that foregrounds the self over others. We propose that questioning the crude and sharp distinction between carrier and predictive testing in principle may enable practitioners and parents/families to make more nuanced decisions in practice.
Is hypertension a predictor for heart failure? A cross cultural comparison over a 10‐year period
Authors: Bener A. , Al Suwaidi J. , Ghaffar A. 
Published: July 2005

AbstractThis was a retrospective cohort study to assess the effect of hypertension (HTN) among Qatari and Asian patients admitted to the Hamad General Hospital in Qatar with heart failure (HF) and to identify risk factors that contribute to the development of HF in HTN patients in the State of Qatar. A total of 20,856 patients were treated during the 10‐year period; 8446 were Qataris and 60% were male. Among the total Qatari patients admitted with HF (n = 2342), 52.4% had HTN. The incidence of HTN was slightly higher in males than in females (50.4 vs. 49.6%; p <0.001). Significantly more HTN patients had diabetes mellitus (DM) (p <0.001) and hypercholesterolemia (p <0.001). There was also a significant difference between Qatari and Asian HTN patients in respect of their age (p <0.001) and gender (p <0.001). Qatari hypertensive patients were more likely to have DM (p <0.001). HTN and DM were the most common risk factors for HF.
Effects of bone marrow derived mesenchymal stem cells transplantation in acutely infarcting myocardium
Authors: Piao Hainan , Youn Tae‐Jin , Kwon Jin‐Sook , Kim Young‐Hwa , Bae Jang‐Whan , Bora‐Sohn  , Kim Dong‐Woon , Cho Myeong‐Chan , Lee Myoung‐Mook , Park Young‐Bae 
Published: July 2005

AbstractBackground:Cellular cardiomyoplasty (CCM) is considered to be a novel therapeutic approach for post‐myocardial infarction (MI) heart failure. In this study, the functional effects of cultured mesenchymal stem cells (MSCs) transplantation and the associated histopathologic changes were evaluated in a rat model of MI.Methods:Rats were subjected to 5 h of coronary ligation followed by reperfusion and, 10 days after MI, animals were randomized into either the MSCs transplantation (MI‐MSC, n=8) group or the control (n=8) group. Allogeneic MSCs (3×106 cells) or media were epicardially injected into the center and the border area of the infarct scar.Results:Four weeks after the MSCs transplantation, the echocardiogram showed preserved anterior regional wall motion and increases in fractional shortening in the MI‐MSC heart relative to the control heart. Left ventricular (LV) end‐diastolic pressure was smaller in the MI‐MSC than in the control group. Implanted MSCs formed islands of cell clusters on the border of the infarct scar, and the cells were positively immunostained by sarcomeric α‐actinin and cardiac troponin T. In addition, the number of microvessels on the border area of the infarct scar was greater in the MI‐MSC than in the control group.Conclusion:Allogeneic MSCs transplanted into the MI scar formed clusters of cell grafts on the border of the infarct, expressed cardiac muscle proteins, increased microvessel formation, and improved regional and global LV function. Our data indicate that CCM using MSCs may have a significant role in the treatment of post‐MI heart failure.
The influence of aetiology on inflammatory and neurohumoral activation in patients with severe heart failure: A prospective study comparing Chagas' heart disease and idiopathic dilated cardiomyopathy
Authors: Mocelin Amilcar O. , Issa Victor S. , Bacal Fernando , Guimarães Guilherme V. , Cunha Edecio , Bocchi Edimar A. 
Published: July 2005

AbstractPatients with Chagas' cardiomyopathy have the worst prognosis when compared to other aetiologies. It has been suggested that a more intense inflammatory activation could be responsible for this excessive mortality. We studied 35 patients with idiopathic dilated cardiomyopathy (IDC group) and 28 patients with Chagas' heart disease (Chagas' group) and 12 control subjects. We compared plasma tumor necrosis factor α (TNF‐α), soluble TNF‐α receptor type 1 (sTNF‐R1), soluble Fas (sFas), interleukin 6 (IL‐6), and brain natriuretic peptide type B (BNP) concentrations between the groups. TNF‐α and IL‐6 concentrations were higher in the IDC and Chagas groups as compared to controls (p<0.001 and p=0.001, respectively). sTNF‐R1 concentration was higher in IDC after stratification for functional class (p=0.039), and there was a trend toward higher plasma TNF‐α concentration in the Chagas' group (p=0.092). IL‐6 concentration was higher in Chagas than in IDC (p=0.005). Higher IL‐6 levels were associated with worse outcome (p=0.03 for Chagas; p=0.003 for IDC). sFas concentration was similar among groups. BNP concentrations were higher in IDC (350 pg/ml) and in Chagas (444.6 pg/ml) as compared to the controls (20.3 pg/ml; p<0.01). Higher BNP levels were associated with death and heart transplantation in both aetiologies. Inflammatory activation in Chagas heart disease differs from IDC and is associated with heart failure severity.
Predictors of exercise capacity and everyday activity in older heart failure patients
Authors: Witham Miles D. , Argo Ishbel S. , Johnston Derek W. , Struthers Allan D. , McMurdo Marion E.T. 
Published: July 2005

AbstractBackground:Exercise capacity and daily activity are key outcomes for older, frail heart failure patients. Little is known about the determinants of these outcomes in this patient group.Aims:To explore predictors of exercise capacity and daily activity in older, frail heart failure patients.Methods:Analysis of prospectively collected data from a cohort of 82 patients aged 70 years and over, enrolled in a randomised controlled trial of exercise in heart failure patients. Pathophysiological, demographic, psychological and social factors were analysed by multivariate regression to determine predictors of exercise capacity (6‐min walk distance) and daily activity (daily accelerometer counts).Results:Between 49% and 55% of the variance in 6‐min walk distance was explained by variables including New York Heart Association class, depression score, attitude to ageing and use of walking aids. Only 11% to 26% of the variance in accelerometer scores was explained by the model; 6‐min walk distance was the only consistent predictor of daily activity.Conclusions:Physical, psychological and attitudinal variables contribute to variance of the 6‐min walk. Six‐minute walk distance predicts a small amount of the variance in daily activity, but the majority of variance in daily activity remains unexplained and requires further investigation.
Microwave endometrial ablation for menorrhagia in patients with systemic disorders
Authors: Qian Yuanshu , Gan Ningyue , Zhou Jianwei , Lu Wen , Ma Yaxi , Zhang Weijiang 
Published: July 2005

AbstractObjective: To evaluate the effectiveness of microwave endometrial ablation (MEA) in the treatment of menorrhagia in patients with severe systemic disease or medical conditions. Methods: Forty‐two menorrhagic women undergoing systemic disorders with failure of medical management were treated with MEA under local or general anesthesia, and were followed‐up for 1 year. Results: The women had a mean age of 39.4 years (range, 17–49). The procedure was successfully completed in all patients, and no intraoperative complications occurred. Two cases died of their primary severe medical diseases within 2 months of treatment but these cases were not associated with MEA. Among the remaining 40 patients, 24 (60.0%) had amenorrhea within 12 months. The duration of hospitalization and the amount of blood transfusion were significantly reduced after treatment, and the quality of life of these patients was improved significantly. Conclusions: MEA is a safe and effective treatment for the management of severe menorrhagia in patients undergoing systemic illness or severe medical conditions.
Pretreatment levels of serum squamous cell carcinoma antigen and urine polyamines in women with squamous cell carcinoma of the cervix
Authors: Kim Y.T. , Yoon B.S. , Kim J.W. , Kim S.H. , Kwon J.Y. , Kim J.H. 
Published: July 2005

AbstractObjectives: To investigate whether pretreatment levels of serum squamous cell carcinoma antigen (SCCA) and urine polyamines can predict lymph node metastases in patients with early stage cervical carcinoma. Methods: Pretreatment measurement of serum SCCA and urine polyamine levels was carried out for 419 women. Of those women, 104 with stage IB and IIA cancer received radical surgery and had tumor size reassessed postoperatively. Results: The women had increased levels of serum SCCA (> 2.0 ng/mL) and elevated urine polyamines (> 45 μmol/g of creatinine) with advanced cancer stage (P < 0.01). The median SCCA level was significantly higher in women with metastatic disease than that in those without lymph node involvement (3.9 vs. 1.1; P < 0.01). Women with nodal involvement also had significantly higher median levels of urine polyamines than those without nodal disease. Conclusions: Pretreatment measurement of SCCA and urine polyamine levels may help in predicting lymph node metastases in women with early stage cervical carcinoma.
An evaluation of the professional forecasts of U.S. long‐term interest rates
Authors: Baghestani Hamid 
Published: July 2005

AbstractThis paper evaluates the multiperiod forecasts of Moody's Aaa corporate and the 10‐year Treasury bond rates from the Survey of Professional Forecasters (SPF). We show that the SPF forecasts are not rational since they fail to be unbiased and, in some cases, do not fully incorporate the information in the past actual rates. These forecasts, however, are useful, since they are able to accurately predict the direction of change in the actual series. We also formulate a model that utilizes the information in the SPF forecasts of the unemployment rate. Comparable four‐quarter‐ahead forecasts of the two interest rates from this model are shown to be significantly more accurate than the corresponding SPF forecasts for 2001.1–2004.4.
The clinical effectiveness of guided self-help versus waiting-list control in the management of anxiety and depression: a randomized controlled trial
Authors: MEAD NICOLA , MacDONALD WENDY , BOWER PETER , LOVELL KARINA , RICHARDS DAVID , ROBERTS CHRIS , BUCKNALL AIDAN 
Published: July 2005

Background. There are significant barriers to accessing effective psychological therapy in primary care resulting from a lack of suitably trained therapists to meet current demand. More efficient service delivery using minimal interventions (such as bibliotherapy) provided by paraprofessional therapists may be one method of overcoming these problems, and is the subject of attention in the UK and elsewhere. A randomized trial was conducted to test the clinical effectiveness of this model. Assistant psychologists delivered a guided self-help intervention to patients with anxiety and depression who were currently waiting for psychological therapy.Method. A total of 114 patients were randomized either to guided self-help or a waiting-list control group. All patients were followed up 3 months later, prior to starting conventional psychological therapy. Measures included self-reported adherence to the intervention, anxiety and depressive symptoms, social functioning and patient satisfaction.Results. Adherence to the guided self-help intervention was acceptable and patients reported satisfaction with the intervention. However, there were no statistically significant differences between groups in anxiety and depression symptoms at 3 months.Conclusions. The results demonstrate that this model of guided self-help did not provide additional benefit to patients on a waiting list for psychological therapy. The results are considered in the context of possible internal and external validity threats, and compared with previous trials of minimal interventions. The implications of the results for the design of future minimal interventions are considered.
Later Gupta History: Inscriptions, Coins and Historical Ideology
Authors: Willis Michael 
Published: July 2005

AbstractThis article argues for a radical revision of later Gupta chronology based on a review of the primary evidence. The paucity of dated material has meant that historical reconstructions of the period have been based on late-Victorian assumptions about the nature of society and kingship. Removing this ideological framework allows not only for a revision of chronology — a traditional historical concern — but for a new understanding of Gupta kingship and the constitution of state.
Microsatellites and 16S sequences corroborate phenotypic evidence of trans-Andean variation in the parasitoid Microctonus hyperodae (Hymenoptera: Braconidae)
Authors: Winder L.M. , Phillips C.B. , Lenney-Williams C. , Cane R.P. , Paterson K. , Vink C.J. , Goldson S.L. 
Published: July 2005

AbstractEight South American geographical populations of the parasitoid Microctonus hyperodae Loan were collected in South America (Argentina, Brazil, Chile and Uruguay) and released in New Zealand for biological control of the weevil Listronotus bonariensis (Kuschel), a pest of pasture grasses and cereals. DNA sequencing (16S, COI, 28S, ITS1, β-tubulin), RAPD, AFLP, microsatellite, SSCP and RFLP analyses were used to seek markers for discriminating between the South American populations. All of the South American populations were more homogeneous than expected. However, variation in microsatellites and 16S gene sequences corroborated morphological, allozyme and other phenotypic evidence of trans-Andes variation between the populations. The Chilean populations were the most genetically variable, while the variation present on the eastern side of the Andes mountains was a subset of that observed in Chile.
The separation of two hymenopteran parasitoids, Tersilochus obscurator and Tersilochus microgaster (Ichneumonidae), of stem-mining pests of winter oilseed rape using DNA, morphometric and ecological data
Authors: Barari H. , Ferguson A.W. , Piper R.W. , Smith E. , Quicke D.L.J. , Williams I.H. 
Published: July 2005

AbstractTersilochus obscurator Aubert and Tersilochus microgaster (Szépligeti) are larval endoparasitoids of economically-important stem-mining pests of winter oilseed rape (Brassica napus L.) in Europe. They are difficult to separate morphologically. Their hosts are Ceutorhynchus pallidactylus (Marsham) and Psylliodes chrysocephala Linnaeus, respectively. The parasitoids' taxonomic status, identification, host range and phenology were studied using genetic, morphometric and ecological data. The study used 527 female parasitoids from the UK and Germany, either field-collected in emergence traps or reared from field-collected host larvae. Two morphometric characters, the ovipositor sheath to first metasomal tergite ratio and the percentage of the mesopleuron spanned by the sternaulus, were measured. A 440 bp section of mitochondrial DNA cytochrome oxidase subunit I (COI) gene was sequenced from 35 parasitoids reared from C. pallidactylus, 20 reared from P. chrysocephala and individuals from two outgroups, Tersilochus heterocerus Thomson and Phradis interstitialis Thomson. Distinct and invariable COI sequences corresponded exclusively to each parasitoid group, confirming that T. obscurator and T. microgaster are discrete species. Measurements of host-reared and COI-sequenced specimens indicated that the ranges of both morphometric characters overlapped between species. Using these ranges as criteria, all but 3.6% of UK specimens and 2% of German specimens were identifiable to species without reference to host or phenology. There were differences in emergence phenology in the UK, adult T. microgaster emerging from winter diapause by 29 March 2000, T. obscurator emerging between 12 April and 24 May 2000. The value of molecular techniques in the identification of closely-related parasitoid species is discussed.