bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Relationship between the Structure and Magnetic Properties of Bioinspired Iron(ii/iii) Complexes with Schiff‐Base‐Like Chelate Ligands, Part I: Complexes with Dianionic [N4] Macrocycles
Authors: Weber Birgit , Käpplinger Indira , Görls Helmar , Jäger Ernst‐G. 
Published: June 2005

AbstractThe molecular structures and the spin ground‐state of the iron(ii/iii) complexesFe1,Fe2andFe3, which contain dianionic macrocyclic [N4] ligands derived from substituted acetylacetaldehydes and 1,2‐diamines, have been investigated by X‐ray analysis and temperature‐dependent susceptibility measurements, respectively. The iron(II) complexesFeII1(which is dimeric by intermolecular coordination of one peripheral carbonyl group),FeII1MeOH,(FeIIL)2dabco(L =1,2,3; dabco = 1,4‐diazabicyclo[2.2.2]octane) and the iron(III) complexFeIII1Clare pentacoordinate and have an intermediate‐spin ground‐state at room temperature (S= 1 for FeII;S= 3/2 for FeIII). The intermediate‐spin state was confirmed by DFT‐MO calculations forFeII1MeOHandFeIII1Cland is also in agreement with the Mössbauer data ofFeII1and ESR measurements ofFeIII1Cl. The iron centre inFeII2is nearly square‐planar and shows a strong decrease of the magnetic moment belowT≈ 250 K. This is probably due to anS= 0 toS= 1 spin‐crossover or, more likely, to intermolecular antiferromagnetic interactions (shortest Fe–Fe distance of 3.4 Å). A new pair of octahedral iron(ii/iii) complexes with an N‐heterocyclic axial ligand,FeII3(Py)2/[FeIII3(Py)2]PF6, could be crystallised. In contrast to the previously described pairsFeII1(Him)2/[FeIII1(Him)2]PF6andFeII2Py2/[FeIII2Py2]ClO4, the orientation of the planes of the axial ligands is nearly independent of the oxidation step of the central atom. Octahedral derivatives with biologically relevant anions as axial ligands have been crystallised for the first time, namely [BzEt3N][FeIII1(NCS)2], [Et4N][FeIII2(CN)2](H2O)0.5, Na[FeIII2(NO2)2](MeOH)2(H2O)0.5and [FeIII2(NO2)OH2](MeOH). The latter shows a magnetic moment ofμeff≈ 2.85 μBat room temperature, which decreases to 1.85 μBat lower temperature. This indicates an incompleteS= 1/2 toS= 3/2 spin‐crossover, which is probably due to the presence of H2O as a weak axial ligand. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Multidimensional Cyanide‐Bridged Heterometallic FeII–CuI and Homometallic CuI Coordination Polymers from Solvothermal Reactions Involving either K3[Fe(CN)6] or KCN as the Source of Cyanide Anions
Authors: Colacio Enrique , Debdoubi Ahderrahmane , Kivekäs Raikko , Rodríguez Antonio 
Published: June 2005

AbstractThe reaction between K3[Fe(CN)6], CuCl2·2H2O and 1,10‐phenanthroline (phen) under hydrothermal conditions gives rise to the formation of the 3D cyanide‐bridged heterometallic FeII–CuI complex [Fe(CN)4(phen)2Cu2] (1). Its 3D network structure is constructed from two types of fused cyanide‐bridged 10‐ and 14‐metal‐membered centrosymmetric rings (Fe2Cu8 and Fe2Cu12), which are defined by the general sequences {(CuI)4‐FeII‐(CuI)4‐FeII} and {(CuI)6‐FeII‐(CuI)6‐FeII}, respectively. The copper(I) and iron(II) atoms exhibit distorted triangular planar and distorted octahedral coordination environments, respectively. Complex 1 is the first example of a 3D cyanide‐bridged bimetallic complex prepared by hydrothermal methods. The use of methanol as solvent, KCN as source of cyanide anions and 2,2',6,6'‐bipyrimidine as the bridging ligand results in the isolation of the 2D homometallic copper(I) complex [Cu2(CN)2(bpym)]·H2O (2). Its structure consists of neutral 2D (6,3) honeycomb layers in the ab plane made of fused Cu6(CN)4(bpym)2 rings, in which the copper(I) atoms exhibit a distorted tetrahedral geometry. The layers are interdigitated in such a way that the bpym ligands lie above and below the ring cavities of neighbouring networks, with an ABCD repeat sequence of layers. Water molecules are located in the free space between the A/D and B/C layers. Under the same conditions as used for 1, but with 4‐methyl‐2,2',6,6'‐bipyrimidine 2‐oxide instead of phen, the 3D complex [Cu2(CN)2(mbpym] (3) was obtained (mbpym = 4‐methyl‐2,2',6,6'‐bipyrimidine). During the reaction the oxygen atom of the N‐oxide group is eliminated and the novel ligand mpym formed. Its structure consists of distorted tetrahedral copper(I) atoms connected by cyanide and mpym bridging ligands to give rise to a 3D chiral network. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Synthesis, Structure and Spectroscopic Properties of Novel9,10‐Bis{[6‐(diphenylphosphanyl)‐2‐pyridylmethyl]propylaminomethyl}anthracene‐Bridged Group 11 Metal (M = CuI and AgI) Dinuclear Complexes
Authors: Xu Hu , Xu Feng‐Bo , Li Qing‐Shan , Duo Wei‐Guo , Song Hai‐Bin , Zhang Zheng‐Zhi 
Published: June 2005

AbstractDinuclear complexes [M2(μ‐BPNNAn)]X2 (M = CuI, X = ClO4– 1, X = BF4– 2; M = AgI, X = BF4– 3, X = ClO4– 4) have been prepared by treating 9,10‐bis{[6‐(diphenylphosphanyl)‐2‐pyridylmethyl]propylaminomethyl}anthracene (BPNNAn) with M(CH3CN)4X in CH2Cl2. The structures of complexes 1, 2 and 3 have been determined by single‐crystal X‐ray diffraction studies. In the complexes, BPNNAn acts as a chelating ligand and two metal ions riding on two bridgehead carbon atoms in the anthracene group leads to the deformation of the anthracenyl ring. The Cu–Arene charge transfer interaction is observed from the nonfluorescent emission of Cu complex 1, while the Ag complex 3 exhibits dual emission at high concentrations in a CH2Cl2 solution. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
The Fenton Reaction in Aerated Aqueous Solutions Revisited
Authors: Rachmilovich‐Calis Sandra , Masarwa Alexandra , Meyerstein Naomi , Meyerstein Dan 
Published: June 2005

AbstractThe oxidation of alcohols in aerated acidic aqueous solutions by the Fenton reagent is a chain reaction. The length of the chain depends linearly on the number of CHnOR (n = 1 or 2) groups in the alcohol. The reaction is accelerated by increasing the concentration of Fe(H2O)62+, but this cation is also active in at least one of the termination steps of the chain reaction. Addition of ethanol to a solution containing sucrose shortens the chain length. Saturation with dioxygen, instead of air, increases the chain length. An increase in alcohol concentration increases the chain length up to a limiting value. A complicated mechanism, which is in agreement with all these observations, is proposed. However, efforts to simulate the mechanism succeed only in simulating the Fe(H2O)63+ yield, but indicate that the observed process is considerably faster than the predicted one. In the latter the rate‐determining step is the Fenton reaction, the rate constant of which is well known. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Ethylene Homo‐ and Copolymerization Activity of a Series of [ONNO]‐Type Amine Bis(phenolate) Based Vanadium(II–V) Catalysts
Authors: Lorber Christian , Wolff Fabien , Choukroun Robert , Vendier Laure 
Published: June 2005

AbstractThe synthesis and structural characterization of new paramagnetic amine bis(phenolate) [ONNO]‐vanadium(III) and‐vanadium(II) complexes, VIII(acac)[ONNO], VIII(Cl)(THF)[ONNO], and VII(TMEDA)[ONNO], is described. These compounds complete the family of [ONNO]‐vanadium(IV/V) complexes previously reported. The members of the [ONNO]‐vanadium family at various oxidation states that range from vanadium(II) to vanadium(V), in association with EtAlCl2 cocatalyst, were studied in the polymerization of ethylene and in the copolymerizations of ethylene‐1‐hexene and ethylene‐norbornene. Poly(ethylene‐co‐1‐hexene) and poly(ethylene‐co‐norbornene) were produced with co‐monomer content of up to 11 mol‐% and 29 mol‐% for 1‐hexene and norbornene, respectively. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Cooperative Intramolecular Hydrogen Bonding Effect and Basicity –An Ab Initio and DFT Study of the Superbasic Properties ofN‐[(Dimethylamino)alkyl]‐2,3‐diaminocycloprop‐2‐ene‐1‐imines
Authors: Gattin Zrinka , Kovačević Borislav , Maksić Zvonimir B. 
Published: June 2005

AbstractThe MP2(fc)/6‐311+G**//HF/6‐31G* and B3LYP/6‐311+G**//HF/6‐31G* calculations show thatN‐[3‐(dimethylamino)propyl] andN‐[4‐(dimethylamino)butyl] derivatives of 2,3‐diamino‐cycloprop‐2‐ene‐1‐imine (CPI) possess high gas phase proton affinities (PA) and pronounced basicities in acetonitrile (MeCN). Tris[N‐dimethylaminopropyl(‐butyl)]‐CPI derivatives achieve superbasic PA and pKavalues. The reason behind these remarkable features is the stability of the resulting conjugate acids. They are stabilized by aromatization of the three‐membered ring accompanied by the cationic resonance between the cyclopropyl ring and amino nitrogen atoms of the side chains, and, last but not least, by the cooperative multiple intramolecular hydrogen bonding effect. The latter is particularly enhanced in tris‐substituted CPIs. It was found that theN‐[4‐(dimethylamino)butyl] side chains contribute more to the stability of the conjugate acids than those of the corresponding compound with a propyl chain, because they undergo a somewhat larger relaxation upon protonation. The studied compounds might be helpful in building up a dense ladder of strong bases and superbases, which could contribute to the development of the chemistry of superacids and superbases. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Preliminary estimates of performance and cost of mercury emission control technology applications on electric utility boilers: An update
Authors: Srivastava R.K. , Staudt James E. , Jozewicz Wojciech 
Published: June 2005

AbstractThe Environmental Protection Agency has recently proposed a reduction in mercury emissions from coal‐fired power plants. There are two broad approaches under development to controlling mercury emissions from coal‐fired electric utility boilers: (1) powdered activated carbon (PAC) injection; and (2) multipollutant control, in which Hg capture is enhanced in existing and new sulfur dioxide (SO2), nitrogen oxides (NOx), and particulate matter (PM) control devices. To help inform the recent EPA rulemaking proposal, estimates of performance levels and related costs associated with the above mercury control approaches were developed. This work presents these estimates.Estimates of cost for PAC injection range from 0.003 to 3.096 mills/kWh. In general, the higher costs are associated with the plants using spray dryers and electrostatic precipitators (ESPs) or plants using hot‐side ESPs, which represent a minority of power plants. Excluding these plants, cost estimates range between 0.003 and 1.903 mills/kWh. At the low end of the cost ranges, 0.003 mills/kWh, it is assumed that no additional control technologies are needed, but mercury monitoring will be necessary. In these cases, high mercury removal may be the result of the type of NOx and SO2 control measures currently used, such as combinations of selective catalytic reduction and wet flue gas desulfurization or spray drier absorbers with fabric filters on bituminous coal–fired boilers.Because mercury control approaches are under development at present, cost and performance estimates are preliminary and are expected to be refined as mercury control technologies are matured to commercial status. Factors that may affect the performance of these technologies include speciation of mercury in flue gas, the characteristics of the sorbent, and the type(s) of PM, NOx, and SO2 controls used. The effect of these factors may not be entirely accounted for in the data points that form the basis for this work. Ongoing research is expected to address these issues. © 2004 American Institute of Chemical Engineers Environ Prog, 2005
Buprenorphine mortality, seizures and prescription data in the UK, 1980–2002
Authors: Schifano Fabrizio , Corkery John , Gilvarry Eilish , Deluca Paolo , Oyefeso Adenekan , Ghodse A. Hamid 
Published: June 2005

AbstractBuprenorphine safety in overdose has been debated recently, but no mortality data related to this compound from the UK have been published. To gather together all of the buprenorphine mortality figures, a number of different sources have been checked. To inform on buprenorphine safety issues, accessible information related to its availability indicators (i.e. prescriptions; seizures) data for the 1980–2002 time frame have been sought. In the UK, during this period, buprenorphine was mentioned in 43 fatalities. Typically, victims were males in the 25–44 age group. In 12 cases (28% of total), a verdict of suicide was given. Buprenorphine was detected on its own in seven cases; more frequently, it was found together with benzodiazepines and other opiates. Large quantities of buprenorphine were prescribed both in England in 1985–1989 and in 1991–1992 in Scotland, where seizures reached their highest levels. Buprenorphine prescriptions seemed to peak again after 1999, when high dose buprenorphine formulations entered the UK market. No positive correlation was found between the number of buprenorphine deaths over the years and either buprenorphine dispensings/prescriptions or seizures. However, an increase in buprenorphine‐related deaths since 1999 was identified and this may be an issue which should be carefully monitored over the next few years. Copyright © 2005 John Wiley & Sons, Ltd.
Antipsychotic drug use: McLean Hospital, 2002
Authors: Centorrino Franca , Fogarty Kate V. , Sani Gabriele , Salvatore Paola , Cimbolli Paola , Baldessarini Ross J. 
Published: June 2005

AbstractObjectiveMajor changes in antipsychotic treatment in recent years encouraged a survey of inpatient practice in 2002, compared with earlier samples.MethodsBased on records of a random sample of McLean Hospital inpatients prescribed antipsychotics in 2002, the study recorded DSM‐IV discharge diagnosis, all psychotropic treatments and doses, initial, peak and final doses of all antipsychotics, clinical status at admission and discharge, and adverse effects reported. Results were compared with similar data from our earlier surveys.ResultsSubjects were 344 inpatients (n = 202 women, 59%), diagnosed with psychotic (n = 102, 30%), bipolar (n = 93, 27%), major depressive (n = 67, 19.5%), dementia (n = 19, 5.5%), substance‐use (n = 28, 8%) or other psychiatric disorders (n = 35, 10%). Second‐generation antipsychotics accounted for 88% of antipsychotic prescriptions; 17% of patients received ≥ 2 antipsychotics and total CPZ‐eq discharge does in 2002 averaged 291 ± 305 mg/day (22% less than a 1998 peak). Doses were unrelated to age, but higher in men, among psychotic vs major affective disorder patients, and with greater illness‐severity and longer hospitalization. There was a 3.3‐fold increase in the simultaneous use of ≥ 3 psychotropic agents since 1998.ConclusionsThe use of second‐generation antipsychotics dominates current inpatient practice. Total antipsychotic dosing has not increased recently, but the use of multiple psychotropics increased strikingly from 1998 to 2002. Copyright © 2005 John Wiley & Sons, Ltd.
Tumor type M2 pyruvate kinase (TuM2‐PK) as a novel plasma tumor marker in melanoma
Authors: Ugurel Selma , Bell Nellie , Sucker Antje , Zimpfer Anette , Rittgen Werner , Schadendorf Dirk 
Published: June 2005

AbstractProliferating cells express the pyruvate kinase isoenzyme type M2 (M2‐PK). This enzyme exists as an active tetramer and an inactive dimer. The dimeric form is predominantly found in tumor cells and is therefore termed Tumor M2‐PK (TuM2‐PK). TuM2‐PK molecules are released into the peripheral blood and may hereby function as a marker of tumor load in cancer patients. Our study was aimed to investigate TuM2‐PK as a potential plasma marker in melanoma patients compared to the well‐established serum marker S100β. We measured the concentration of TuM2‐PK in plasma and S100β in corresponding serum samples from 300 melanoma patients and 53 healthy controls using a sandwich ELISA and an immunoluminometric assay, respectively. Plasma concentrations of TuM2‐PK were significantly increased in melanoma patients compared to healthy controls (9.30 U/ml vs. 7.20 U/ml; p = 0.0036) and correlated with tumor load (p < 0.0005) and disease stage (p < 0.0005). Patients with elevated plasma TuM2‐PK (cut‐off = 15 U/ml) presented a reduced overall (p < 0.000005) and progression‐free (p = 0.023) survival. Multivariate analysis revealed plasma TuM2‐PK and serum S100β as independent predictors of overall survival in metastasized patients. Neither plasma TuM2‐PK nor serum S100β showed prognostic relevance for tumor‐free patients. Although the sensitivity and specificity to predict disease progression or death was higher for serum S100β compared to plasma TuM2‐PK, the combination of both markers improved the estimation of prognosis compared to that of serum S100β alone. © 2005 Wiley‐Liss, Inc.
Genetic and environmental determinants of risk for cholangiocarcinoma via Opisthorchis viverrini in a densely infested area in Nakhon Phanom, northeast Thailand
Authors: Honjo Satoshi , Srivatanakul Petcharin , Sriplung Hutcha , Kikukawa Hiroko , Hanai Shuji , Uchida Kazuhiko , Todoroki Takeshi , Jedpiyawongse Adisorn , Kittiwatanachot Pacharin , Sripa Banchob , Deerasamee Somyos , Miwa Masanao 
Published: June 2005

AbstractInfection with Opisthorchis viverrini (OV) is associated with cholangiocarcinoma. OV is common in northeast Thailand, but less than 10% of the inhabitants develop cholangiocarcinoma. Animal experiments suggest that OV infection alone does not cause cholangiocarcinoma, and thus other environmental and genetic factors may play a role in causation. We conducted a population‐based case‐control study in which sex, age and place of residence were matched individually. Polymorphisms of GSTM1 and GSTT1 alone were not associated with risk for cholangiocarcinoma, while an elevated level of antibodies against OV (ELISA) ≥0.200 was the strongest risk indicator (odds ratio as compared to that <0.200 = 27.09 [95% confidence interval (CI): 6.30–116.57]. Compared to subjects who had a normal antibody range and the wild‐type GSTM1 gene, those who had elevated antibodies had higher odds ratios of 12.32 (95% CI: 1.60–94.85) for wild‐type GSTM1 and 23.53 (95% CI: 4.25–130.31) for the null variant thereof, respectively. Past and current regular drinkers of alcohol had higher risk [odds ratio = 5.39 (95% CI: 1.11–26.06) and 4.82 (95% CI: 1.29–18.06), respectively]. Eating fermented products was an independent risk factor. Smokers or consumers of fermented fish had substantially increased risk if they were past or current drinkers. Infection with OV correlates strongly with cholangiocarcinoma, susceptibility to which may be possibly associated with GSTM1 polymorphism. Alcohol may affect metabolic pathways of endogenous and exogenous nitrosamines. © 2005 Wiley‐Liss, Inc.
Association of a single nucleotide polymorphism in the matrix metalloproteinase‐1 promoter with glioblastoma
Authors: McCready Jessica , Broaddus William C. , Sykes Virginia , Fillmore Helen L. 
Published: June 2005

AbstractA key feature in the malignant behavior of glioblastoma is the tendency to invade host brain tissue surrounding the primary tumor site. Several members of the matrix metalloproteinase family are thought to contribute to this invasive capacity. A single nucleotide polymorphism has been described in the matrix metalloproteinase‐1 (MMP‐1) promoter that consists of either the presence or absence of a guanine nucleotide at position −1607. The presence of the guanine base creates a functional binding site for members of the ETS family of transcription factors and has been shown to increase MMP‐1 transcription. The purpose of our study was to characterize this polymorphism in human glioblastoma. Promoter genotyping was performed on brain tumor tissue obtained from 81 patients and compared to 57 healthy individuals. The 2G/2G genotype is more prevalent in glioblastoma tissue compared to healthy individuals (p = 0.01). mRNA and protein expression were measured in a subset of brain tumor and normal brain tissue samples. MMP‐1 protein levels are significantly higher in glioblastoma tissue compared to normal brain (p = 0.001). Electromobility shift assays and promoter assays were performed to assess binding capability and transcriptional activity, respectively. Proteins present in glioma cell lines can specifically bind the 2G promoter probe. MMP‐1 transcription is significantly higher in cells transfected with the 2G promoter when compared to cells transfected with the 1G promoter (p<0.02). This polymorphism may provide a mechanism for increased expression of MMP‐1 in malignant gliomas via elevation of MMP‐1 mRNA transcription and may underlie the invasive phenotype. © 2005 Wiley‐Liss, Inc.
Expression of Com‐1/P8 in human breast cancer and its relevance to clinical outcome and ER status
Authors: Jiang Wen G. , Watkins Gareth , Douglas‐Jones Anthony , Mokbel Kefah , Mansel Robert E , Fodstad Oystein 
Published: June 2005

AbstractCom‐1 is a recently discovered molecule that has putative action on the metastatic nature of cancer cells. The molecular action and clinical implication in cancer and prognosis are yet to be established. The current study examined the role of Com‐1 in a cohort of patients with breast cancer, with particular emphasis on its relationship with clinical outcomes and ER status. A panel of human breast cancer cell lines were tested. A cohort of breast cancer tumours (n‐120) with matched normal non‐neoplastic mammary tissues (n = 32) were used. Expression of Com‐1 in cancer cells and mammary tissues were studied using conventional and real‐time quantitative PCR. Expression profile was analysed against clinical information including tumour grade, staging, nodal status, ER status and survival of the patients. Statistical analysis was Mann‐Whitney U‐test and Cox Proportion analysis. Com‐1 was expressed in breast cancer cell lines. Com‐1 protein staining was primarily found in nucleus of epithelial cells of mammary tissues. Tumour cells in breast tissues exhibited a significant reduction in nuclear staining of Com‐1, compared to normal epithelial cells (p = 0.0061). Breast tumour tissues expressed similar levels of Com‐1, compared to normal non‐neoplastic mammary tissues (p = 0.62). There was, however, a stepwise decrease in tumours from patients with predicted good, moderate, to poor prognosis (using Nottingham Prognostic Index) (166 ± 135 copies of Com1 transcript, 44.3 ± 36 and 0.64 ± 0.24, respectively, p = 0.06 by Kruskal‐Wallis test). Likewise, node positive tumours had low levels of Com‐1, compared to node negative tumours. Tumours from patients who developed metastasis (11.4 ± 7 copies of Com1 transcript), had local recurrence (41.5 ± 3.7 copies of Com1 transcript), or who died of breast cancer (0.058 ± 0.03 copies of Com1 transcript) had lower levels of Com‐1, when compared to tumours from patients who remained disease free (156 ± 129 copies of Com1 transcript). There was no significant correlation between Com‐1 and overall survival or disease free survival. When ER status were taken into consideration, it was demonstrated that low levels of Com‐1 in ER‐β positive tumours were highly correlated with shorter overall survival of the patients (p = 0.018) (median follow‐up 120 months). Com‐1 is a nuclear protein, whose expression is reduced in human breast cancer tissues and cancer cell lines. The loss of Com‐1 protein is primarily from the nuclear compartment in cancer cells. The expression levels of Com‐1 in breast tumours are correlated with the prognosis of the patients and with the long term overall survival in association with ER status. © 2005 Wiley‐Liss, Inc.