bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prognosis of late life depression: a three‐year cohort study of outcome and potential predictors
Authors: Baldwin Robert C. , Gallagley Andrew , Gourlay Mhairi , Jackson Alan , Burns Alistair 
Published: December 2005

AbstractBackgroundLate‐onset depression (LOD) has a poor prognosis which may be worsened by the presence of cerebrovascular disease. Few studies have explored prospectively the influence of vascular risk factors on longer term prognosis.MethodsThe original study involved 50 patients with LOD and 35 healthy age matched controls. Follow‐up was at three years. Baseline measures included clinical, neuroradiological and neuropsychological variables. Outcome was assessed by mortality, progression to dementia and clinical course of depressive disorder.ResultsSixty‐two (73%) of the original cohort agreed to be re‐interviewed. Seven participants had died (all from the depressed group) and six developed dementia, all but one from the depressed group. Vascular dementia predominated (although not significantly so) among those with dementia at follow‐up. For 28 depressed patients with complete follow‐up data (56% of the original sample), poor outcome was predicted by lower High Density Lipoprotein (HDL), raised Erythrocyte Sedimentation Rate (ESR) and a higher score on the Hachinski Index scale and one test of immediate memory. Initial response to treatment was not associated with later outcome.ConclusionLate‐onset depressive disorder is associated with a high rate of mortality and possibly dementia. Biochemical and inflammatory markers may be important in prognosis and their role should be confirmed in future studies. Copyright © 2005 John Wiley & Sons, Ltd.
A community study on emotional distress among Arab and Jewish Israelis over the age of 60
Authors: Shemesh Annarosa Anat , Kohn Robert , Blumstein Tzvia , Geraisy Nabil , Novikov Ilya , Levav Itzhak 
Published: December 2005

AbstractBackgroundThe elderly constitute a vulnerable group for psychopathology, yet research on their mental health among both Arab and Jews in Israel remains limited. The same is the case in Arab countries. This paper reports on the contrasting distribution of the mean emotional distress (ED) scores and rates of suspected clinical cases, and their related risk factors, among community residents over the age of 60.MethodsSeveral national agencies conducted a survey on 5,055 elderly individuals to investigate their health status, including ED. The interview included socio‐demographic and behavioral health items, as well as a modified 12 item‐GHQ as a measure of ED. Total ED scores and prevalence rates for suspected psychopathology were calculated. Their respective risk factors were examined using univariate and multivariate methods.ResultsThe ED scores were highest among Muslim Arabs (4.9), followed by Christian Arabs (4.2), Jews (3.1) and Druzes (2.8). Their estimated prevalence rates were 43.4%, 37.0%, 21.4%, and 17.0%, respectively. The gradient of these results remained unchanged in the multivariate analysis for ED scores adjusting for confounding variables. In contrast, logistic regression analysis controlling for confounding variables did not find a differential risk for suspected psychopathology between Arabs and Jews.ConclusionConceivably, the higher demoralization scores among elderly Arabs are associated with their minority status affiliation, as well as with the rapid social changes that have taken place in their midst. A cultural response style may be entertained as a possible explanation. However, these factors do not impact the risk for suspected psychopathology where no differential risk was noted after adjustments for confounders. Copyright © 2005 John Wiley & Sons, Ltd.
Long‐term serotonin administration leads to higher bone mineral density, affects bone architecture, and leads to higher femoral bone stiffness in rats
Authors: Gustafsson Björn I. , Westbroek Irene , Waarsing Jan H. , Waldum Helge , Solligård Erik , Brunsvik Anders , Dimmen Sigbjørn , van Leeuwen Johannes P.T.M. , Weinans Harrie , Syversen Unni 
Published: December 2005

AbstractNew evidence suggests a control of bone mass by the central nervous system. We have previously shown that functional serotonin receptors are present in bone cells and that serotonin stimulates proliferation of osteoblast precursor cells in vitro. In the present study we investigated the effects of serotonin on bone tissue in vivo. Ten, 2‐month‐old female Sprague–Dawley rats were injected with serotonin subcutaneously (s.c.) (5 mg/kg) once daily for 3 months, controls received saline. Using microdialysis and HPLC, free circulating serotonin levels were measured. DXA scans were made after 3 months of serotonin administration. Bone architecture and mechanical properties were investigated by micro‐computed tomography (µCT), histomorphometry, and mechanical testing. A long‐lasting hyperserotoninemia with a >10‐fold increase in serotonin appeared. Total body BMD was significantly higher (0.1976 ± 0.0015 vs. 0.1913 ± 0.0012 g/cm2) in rats receiving serotonin. Cortical thickness (Ct.Th) measured by µCT analysis was also higher, whereas trabecular bone volume (BV) was lower. Interestingly, the perimeter and cross‐sectional moment of inertia (MOI), a proxy for geometrical bone strength, were the same in both groups. These data suggest that serotonin reduces resorption or/and increases apposition of endosteal bone. Mechanical testing showed that femoral stiffness was higher in serotonin‐dosed animals. The energy absorption also seemed slightly, but not significantly higher. In conclusion, hyperserotoninemia led to a higher BMD, altered bone architecture and higher femural bone stiffness in growing rats, demonstrating that serotonin may have important effects on bone in vivo. J. Cell. Biochem. 97: 1283–1291, 2006. © 2005 Wiley‐Liss, Inc.
Retinoic acid‐induced CD38 expression in HL‐60 myeloblastic leukemia cells regulates cell differentiation or viability depending on expression levels
Authors: Lamkin Thomas J. , Chin Vivian , Varvayanis Susi , Smith James L. , Sramkoski R. Michael , Jacobberger James W. , Yen Andrew 
Published: December 2005

AbstractRetinoic acid‐induced expression of the CD38 ectoenzyme receptor in HL‐60 human myeloblastic leukemia cells is regulated by RARα and RXR, and enhanced or prevented cell differentiation depending on the level of expression per cell. RARα activation caused CD38 expression, as did RXR activation but not as effectively. Inhibition of MAPK signaling through MEK inhibition diminished the induced expression by both RARs and RXRs. Expression of CD38 enhanced retinoic acid‐induced myeloid differentiation and G0 cell cycle arrest, but at higher expression levels, induced differentiation was blocked and retinoic acid induced a loss of cell viability instead. In the case of 1,25‐dihydroxyvitamin D3, induced monocytic differentiation was also enhanced by CD38 and not enhanced by higher expression levels, but without induced loss of viability. Expression levels of CD38 thus regulated the cellular response to retinoic acid, either propelling cell differentiation or loss of viability. The cellular effects of CD38 thus depend on its expression level. J. Cell. Biochem. 97: 1328–1338, 2006. © 2005 Wiley‐Liss, Inc.
Improved R2* measurements in myocardial iron overload
Authors: Ghugre Nilesh R. , Enriquez Cathleen M. , Coates Thomas D. , Nelson Marvin D. , Wood John C. 
Published: December 2005

AbstractPurposeTo optimize R2*(1/T2*) measurements for cardiac iron detection in sickle cell and thalassemia patients.Materials and MethodsWe studied 31 patients with transfusion‐dependent sickle cell disease and 48 patients with thalassemia major; myocardial R2* was assessed in a single midpapillary slice using a gated gradient‐echo pulse sequence. Pixel‐wise maps were coregistered among the patients to determine systematic spatial fluctuations in R2*. The contributions of minimum TE, echo spacing, signal‐decay model, and region‐of‐interest (ROI) choice were compared in synthetic and acquired images.ResultsCardiac relaxivity demonstrated characteristic circumferential variations regardless of the degree of iron overload. Within the interventricular septum, a gradient in R2* from right to left ventricle was noted at high values. Pixel‐wise and ROI techniques yielded nearly identical values. Signal decay was exponential but a constant offset or second exponential term was necessary to avoid underestimation at high iron concentration. Systematic underestimation of R2* was observed for higher minimum TE, limiting the range of iron concentrations that can be profiled. Fat‐water oscillations, although detectable, represented only 1% of the total signal.ConclusionClinical cardiac R2* measurements should be restricted to the interventricular septum and should have a minimum TE ≤ 2 msec. ROI analysis techniques are accurate; however, offset‐correction is essential. J. Magn. Reson. Imaging 2006. © 2005 Wiley‐Liss, Inc.
Sorption of ethyl acetate and d‐limonene in poly(lactide) polymers
Authors: Auras Rafael , Harte Bruce , Selke Susan 
Published: December 2005

AbstractPoly(lactide) (PLA) polymers have garnered increased attention in the last few years as food packaging materials because they are environmentally friendly polymers. As the production of PLA increases and price per pound drops, PLA is becoming a growing alternative as a green food packaging material. In this research, the organic vapor barrier properties of commercially available PLA polymers were studied. Gravimetric sorption tests in PLA films were carried out, and the diffusion (D), solubility (S) and permeability (P) coefficients for ethyl acetate and d‐limonene in PLA were determined. For ethyl acetate, values of P = 1.22 × 10−17 kg m m−2 s−1 Pa−1, D = 2.63 × 10−15 m2 s−1, and S = 4.62 × 10−3 kg m−3 Pa−1) at 45 °C and a partial pressure of 12 654 Pa were obtained. For d‐limonene, no trace was detected after 21 days of testing at 45 °C and 258 Pa, which indicates a permeability coefficient lower than 9.96 × 10−21 kg m m−2 s−1 Pa−1. Poly(lactide) polymers demonstrated good aroma barrier to ethyl acetate and d‐limonene, and will most likely be good aroma barriers. PLA is not likely to promote flavor loss by either permeation or scalping. Copyright © 2005 Society of Chemical Industry
Solution structures and behavior of trans‐RuH(η1‐BH4) (binap)(1,2‐diamine) complexes
Authors: Sandoval Christian A. , Yamaguchi Yoshiki , Ohkuma Takeshi , Kato Koichi , Noyori Ryoji 
Published: December 2005

AbstractThe solution structures of a number of trans‐RuH(η1‐BH4)[(S)‐tolbinap](1,2‐diamine) precatalysts [TolBINAP = 2,2′‐bis(di‐4‐tolylphosphino)‐1,1′‐binaphthyl; 1,2‐diamine(S,S)‐ or (R,R)‐1,2‐diphenylethylenediamine (DPEN), ethylenediamine (EN), and (S)‐1,1‐di(4‐anisyl)‐2‐isopropylethylenediamine (DAIPEN)] have been determined using 2D NMR (1H1H DQF‐COSY, 1H13C HMQC, 1H31P HSQC, and 1H15N HSQC), and a double‐pulsed field‐gradient spin‐echo (DPFGSE) NOE technique. All the octahedral Ru complexes adopt a trans configuration with respect to the BH4 and hydride ligands. Amine protons of trans‐RuH(η1‐BH4)[(S)‐tolbinap](1,2‐diamine) complexes undergo H/D exchange in (CD3)2CDOD. This inherent high acidity, coupled with the lability and chemical properties of the BH4 ligand, allows for precatalyst activation without the need for an added base, in contrast to trans‐RuCl2[(S)‐tolbinap](1,2‐diamine) precatalysts, which require a strong base for generation of a catalytic species. The H/BH4 complex in a 2‐propanol solution is converted to catalytically active [trans‐RuH{(S)‐tolbinap}{(S,S)‐dpen}(ROH)]+ [(RO)(ROH)n]− (R = (CH3)2CH), a loosely associated ion pair of the discrete (solvated) cationic fragment and anionic species. Copyright © 2006 John Wiley & Sons, Ltd.
The design of a multi‐dimensional LC‐SPE‐NMR system (LC2‐SPE‐NMR) for complex mixture analysis
Authors: Alexander A. J. , Xu F. , Bernard C. 
Published: December 2005

AbstractIn this communication, we describe the design of an online multi‐chromatographic approach to the routine NMR analyses of low‐level components (∼0.1%) in complex mixtures. The technique, termed LC2‐SPE‐NMR, optimally combines multi‐dimensional liquid chromatography with SPE technology for isolating, enriching and delivering trace analytes to the NMR probe. The fully automated LC2‐SPE‐NMR system allows for maximal loading capacity (in the first, preparative LC dimension), close to optimal peak resolution (in the second, analytical LC dimension) and enhanced sample concentration (through SPE). Using this system, it is feasible to conveniently conduct a wide range of NMR experiments on, for example, drug impurities at the low microgram per milliliter level, even for components poorly resolved in the first dimension. Such a sensitivity gain significantly elevates the analytical power of online NMR technology in terms of the level at which substances of pharmaceutical significance can be structurally characterized. Copyright © 2006 John Wiley & Sons, Ltd.
Multiscale approach to investigate the radiochemical degradation of epoxy resins under high‐energy electron‐beam irradiation
Authors: Longiéras N. , Sebban M. , Palmas P. , Rivaton A. , Gardette J. L. 
Published: December 2005

AbstractA multiscale investigation of the degradation mechanism of two epoxy systems exposed to electron‐beam irradiation under a helium atmosphere was carried out with a variety of analytical methods, including high‐resolution solution‐ and solid‐state NMR spectroscopy, NMR relaxometry, infrared spectroscopy, sterical exclusion chromatography, and differential scanning calorimetry. As a first step, we studied a linear phenoxy polymer, poly(2‐hydroxyether of bisphenol A), which provided a basis for the investigation of the degradation of a more complex, insoluble epoxy–amine network, diglycidyl ether of bisphenol A/triethylene tetramine. Among different structural modifications, the main degradation process was shown to produce in both cases a chain scission. For the phenoxy resin, the hydroxypropylidene moiety was identified as the fragile site leading to the formation of two phenolic chain ends and acetone and isopropyl alcohol as low‐molecular‐weight products. All methods, ranging from molecular to supramolecular scales, were shown to correlate both qualitatively and quantitatively. Experimental results obtained with diglycidyl ether of bisphenol A/triethylene tetramine evidenced a different degradation scheme occurring at the ethylene amine part and producing a dangling vinyl amine as the major degradation product. A selective increase in the molecular mobility at this site was confirmed by a two‐dimensional, local‐field wide‐line separation experiment. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 865–887, 2006
Copper‐based supported catalysts for the atom transfer radical polymerization of methyl methacrylate: How can activity and control be tuned up?
Authors: Duquesne Emmanuel , Labruyère Céline , Habimana Jean , Degée Philippe , Dubois Philippe 
Published: December 2005

AbstractThis article is aimed at revisiting the synthesis of copper‐based catalysts immobilized onto crosslinked polystyrene (PS) resins carrying pyridinimine groups (PS–pyridinimine/CuBr). These supported catalytic systems were used for promoting the atom transfer radical polymerization of methyl methacrylate as initiated by ethyl‐2‐bromoisobutyrate. It was evidenced that the control over the polymerization reaction was strongly influenced by the coordination ability and extent of the transition‐metal salt on the supported pyridinimine ligands. For instance, increasing the ligand‐to‐catalyst molar ratio allowed for increasing the polymerization rate and improving the control over the molecular parameters of the synthesized poly(methyl)methacrylate (PMMA) in terms of the molar masses and molecular weight distributions. The PS–pyridinimine/CuBr supported catalyst was recycled and reused for further polymerization reactions. After two recycling steps, the reaction activity appeared to be preserved, and the control was improved in terms of the initiation efficiency. However, a slight increase in the polydispersity indices was observed. Interestingly, the introduction of a flexible polydimethylsiloxane spacer between the PS support and the catalytic sites led to some more improvement of the control over the molecular parameters of PMMA chains, which displayed narrower molecular weight distributions. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 744–756, 2006
Reversible addition–fragmentation chain transfer graft copolymerization of styrene and m‐isopropenyl‐α,α′‐dimethylbenzyl isocyanate from polypropylene lanterns: Solid phases for scavenging applications
Authors: Barner Leonie , Perera Senake , Sandanayake Sam , Davis Thomas P. 
Published: December 2005

AbstractThe γ‐initiated reversible addition–fragmentation chain transfer mediated free‐radical graft copolymerization of styrene and m‐isopropenyl‐α,α′‐dimethylbenzyl isocyanate (TMI) from a polypropylene (PP) solid phase was performed with cumyl phenyldithioacetate (CPDA) as the chain‐transfer agent. The initial CPDA concentration was 8 × 10−3 mol L−1. Polymerizations were performed with a dose rate of 0.18 kGy h−1 at the ambient temperature. Initial comonomer mixtures with 15, 30, and 50 mol % TMI were used. Depending on the amount of TMI in the initial comonomer mixture, the plot of the grafting ratio versus the time showed two grafting regimes (for 15 and 50 mol % TMI) or one (for 30 mol % TMI). Scavenger lanterns with 15 and 50 mol % TMI featured two isocyanate loading regimes, the second with higher loading capacities. The scavenger lanterns with 30 mol % TMI showed a linear loading capacity over the full grafting ratio. A maximum loading capacity of 110 μmol per scavenger lantern was achieved with 50 mol % TMI at a grafting ratio of approximately 60 wt %. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 857–864, 2006
Free energy surfaces of miniproteins with a ββα motif: Replica exchange molecular dynamics simulation with an implicit solvation model
Authors: Jang Soonmin , Kim Eunae , Pak Youngshang 
Published: December 2005

AbstractDesigned miniproteins with a ββα motif, such as BBA5, 1FSD, and 1PSV can serve as a benchmark set to test the validity of all‐atom force fields with computer simulation, because they contain all the basic structural elements in protein folding. Unfortunately, it was found that the standard all‐atom force fields with the generalized Born (GB) implicit solvation model tend to produce distorted free energy surfaces for the ββα proteins, not only because energetically those proteins need to be described by more balanced weights of the α‐ and β‐strands, but also because the GB implicit solvation model suffers from overestimated salt bridge effects. In an attempt to resolve these problems, we have modified one of the standard all‐atom force fields in conjunction with the GB model, such that each native state of the ββα proteins is in its free energy minimum state with reasonable energy barriers separating local minima. With this modified energy model, the free energy contour map in each protein was constructed from the replica exchange molecular dynamics REMD simulation. The resulting free energy surfaces are significantly improved in comparison with previous simulation results and consistent with general views on small protein folding behaviors with realistic topology and energetics of all three proteins. Proteins 2006. © 2005 Wiley‐Liss, Inc.
Magnetic and superconducting correlations in the two‐dimensional Hubbard model
Authors: Metzner W. , Reiss J. , Rohe D. 
Published: December 2005

AbstractThe interplay and competition of magnetic and superconducting correlations in the weakly interacting two‐dimensional Hubbard Model is investigated by means of the functional renormalization group. At zero temperature the flow of interactions in one‐loop approximation evolves into a strong coupling regime at low energy scales, signalling the possible onset of spontaneous symmetry breaking. This is further analyzed by a mean‐field treatment of the strong renormalized interactions which takes into account magnetic and superconducting order simultaneously. The effect of strong correlations on single‐particle properties in the normal phase is studied by calculating the flow of the self‐energy. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Transport energy in disordered organic materials
Authors: Novikov Sergey V. , Malliaras George G. 
Published: December 2005

AbstractApplicability of the concept of the transport energy to charge carrier transport in disordered organic materials has been reexamined. We showed that because of a strong spatial correlation in the distribution of the site energies in organic materials the transport energy does not exist. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A Fragment‐weighted Key‐based Similarity Measure for Use in Structural Clustering and Virtual Screening
Authors: Munk Jørgensen Anne Marie , Langgård Morten , Gundertofte Klaus , Pedersen Jan Torleif 
Published: December 2005

AbstractA new similarity measure and structural clustering method has been developed in which each structure is fragmented into ring systems, linkers, and side chains, and where the similarity between structures forms a weighted sum of the similarities between each set of fragments. We have applied the MACCS keys as molecular descriptors and identified a number of ways in which to improve the use of these keys for structural clustering and virtual screening. The method has been optimized to reproduce scaffold‐biased clustering commonly used in medicinal chemistry.
Multiple Linear Regression and Principal Component Analysis‐Based Prediction of the Anti‐Tuberculosis Activity of Some 2‐aryl‐1,3,4‐Thiadiazole Derivatives
Authors: Hemmateenejad B. , Miri R. , Jafarpour M. , Tabarzad M. , Foroumadi A. 
Published: December 2005

AbstractThe search for novel antibacterial agents active against Mycobacterium tuberculosis and other atypical Mycobacterium is urgent due to the lack of effectiveness of known anti‐tuberculosis agents against opportunistic pathogens as a consequence of rapidly emerging resistance. In this study, QSAR analysis was conducted on the anti‐tuberculosis activity of some newly synthesized 2‐aryl‐1,3,4‐Thiadiazole derivatives. Different set of molecular descriptors were calculated to predict the anti‐tuberculosis activity of a set of 27 thiadiazole derivatives using the multiple linear regression (MLR), Free‐Wilson analysis (FWA) and principal component analysis (PCA) methods. Successful MLR equations were obtained from a pool of topological, constitutional, quantum chemical and entire set of descriptors. They could predict the activity of all of the molecules, except one derivative, accurately. The equations obtained from the functional groups and chemical descriptors had lower accuracy and produced two and three outliers, respectively. In the PCA, different patterns of distributions were obtained by plotting the first three scores of the descriptors data matrices against each other. Better classification patterns were obtained when PCA was performed on the subset of descriptors in relative to all of the calculated descriptors. In this case, the active and inactive molecules were classified into distinct clusters with exception one active molecules, which classified as inactive.