bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Studies of the Electronic Structure and Spectroscopic Properties of [Ru(Htcterpy)(NCS)3]3–
Authors: Li Ming‐Xia , Zhang Hong‐Xing , Zhou Xin , Pan Qing‐Jiang , Fu Hong‐Gang , Sun Chia‐Chung 
Published: April 2007

AbstractThe ground‐ and excited‐state structures of [Ru(Htcterpy)(NCS)3]3– (1H) (tcterpy = 4,4′,4″‐tricarboxy‐2,2′:6′,2″‐terpyridine) are optimized by the DFT and CIS methods, respectively. Absorption and emission spectra in the gas phase and in solution (ethanol and water) are predicted at the TD‐DFT/B3LYP level. Experimental spectra are roughly reproduced by our calculated results. In ethanol solution, the HOMOs of the absorption spectra are dominated by d orbitals of the ruthenium atom and thiocyanate ligands, and the LUMOs possess π*(tcterpy) character with considerable carboxyl contribution. In the theoretically simulated absorption spectra, the first four bands are attributed to Ru/NCS→π*(tcterpy) charge‐transfer (MLCT/LLCT) transitions, whereas the fifth one with the strongest intensity arises from intraligand tcterpy π→π* charge transfer (ILCT) mixed with some O(pz)→terpy charge transfer (LLCT). Our calculations reveal that the MLCT/LLCT absorption bands in water are blue‐shifted with respect to those in ethanol, agreeing with experimental observations. This can be rationalized by a decreased dipole moment in the excited state. The phosphorescent emissions are calculated to occur at 724, 711, and 691 nm in the gas phase, in ethanol, and in water, respectively, all with the same 3LMCT/3LLCT character.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Mechanisms of H2, H2C=CH2, and O=CH2 Insertion into Cp2Zr(η2‐SiMe2=NtBu)(PMe3)
Authors: Bi Siwei , Zhu Shufen , Zhang Zhenwei 
Published: April 2007

AbstractIn this paper, the mechanisms for the insertion of H2, H2C=CH2, and O=CH2 into the Zr–Si bond of Cp2Zr(η2‐SiMe2=NtBu)(PMe3) (R) are theoretically investigated with the aid of density functional theory (DFT) calculations. The structure of the H2 insertion product P is discussed on the basis of our calculations, and its bonding features are rationalized in terms of molecular orbital theory. The regiochemistry for insertion of O=CH2 has also been theoretically investigated. It is found that the relative stabilities of the three insertion products of R are in the order P < P′ < P″. For the reactions of R with H2 and CH2=CH2, the rate‐determining steps are the insertions of H2 and CH2=CH2 into the Zr–Si bond of Cp2Zr(η2‐SiMe2=NtBu) (Int1), whereas PMe3 dissociation is the rate‐determining step for the reaction of R with O=CH2. Only the precursor Int2″, formed by the coordination of O=CH2 to the Zr atom, is located; those formed by the coordination of H2 and CH2=CH2 to Int1 are not found.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
The Aromatization of C5 Rings on a Heteronuclear Cluster
Authors: Tan Yong Leng Kelvin , Leong Weng Kee 
Published: April 2007

AbstractThe reaction of the heteronuclear cluster RuOs3(μ‐H)2(CO)13 with saturated and unsaturated C5 rings led to the aromatization of the rings to afford the clusters RuOs3(μ‐H)(CO)9(μ‐CO)2(η5‐C5R4R′). However, the reaction with cyclopentene gave the cluster RuOs3(μ‐H)3(CO)11(μ,η1:η2‐C5H7) via C–H activation of an sp2 carbon instead. Thermolysis of two of the products, RuOs3(μ‐H)(CO)9(μ‐CO)2(η5‐Cp′) and RuOs3(μ‐H)(CO)9(μ‐CO)2(η5‐C5H4SiMe3), led to their isomerization to butterfly clusters.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
The Thermal Decomposition of Three Magnetic Acetates at Their Autogenic Pressure Yields Different Products. Why?
Authors: Pol Swati V. , Pol Vilas G. , Felner Israel , Gedanken Aharon 
Published: April 2007

AbstractWe report on the one‐stage, reproducible, solvent‐free, competent and straightforward approach for the synthesis of fullerene‐like Ni@C, Co@C, and Fe3O4@C core‐shell nanostructures that can be scaled up. The single precursor reactions of low cost acetates of Fe, Co and Ni are separately conducted at a relatively low temperature (700 °C) in a closed Swagelok reactor, as compared to other methods for the formation of graphitic layers. It is worth mentioning that although identical reaction parameters are employed, using the three acetate precursors, the graphitic carbon is coated on nanosized metallic Ni and Co cores, while Fe tends to form Fe3O4, maintaining the same core‐shell morphology. The systematic morphological, compositional, structural characterization and the room temperature magnetic susceptibility measurements of the as‐made particles are carried out on a vibrating sample magnetometer. The plausible mechanism is based on the comparison between the dissociation products of three acetate precursors, their obtained experimental data, and calculations on the enthalpy and free energy changes.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Solvent‐Free, One‐Pot Synthesis of β‐Lactams by the Sc(OTf)3‐Catalyzed Reaction of Silyl Ketene Thiocetals with Imines
Authors: Benaglia Maurizio , Cozzi Franco , Puglisi Alessandra 
Published: April 2007

AbstractA solvent‐free, catalytic, one‐pot synthesis of β‐lactams is described. The reaction involves the reaction between silyl ketene thioacetals derived from 2‐pyridyl thioesters and imines at room temperature in the presence of catalytic amounts of Sc(OTf)3 and in the absence of solvent. Extension of this procedure to the synthesis of an enantiomerically pure azetidinone, a precursor of industrially relevant bioactive β‐lactams, is also reported. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
A steepness index unit volume flood hydrograph approach for sub‐daily flow disaggregation
Authors: Tan Kim‐Seong , Chiew Francis H. S. , Grayson Rodger B. 
Published: April 2007

AbstractThe estimation of sub‐daily flows from daily flood flows is important for many hydrological and hydraulic applications. Flows during flood events often vary significantly within sub‐daily time‐scales, and failure to capture the sub‐daily flood characteristic can result in an underestimation of the instantaneous flood peaks, with possible risk of design failure. It is more common to find a longer record of daily flow series (observed or modelled using daily rainfall series) than sub‐daily flow data. This paper describes a novel approach, known as the steepness index unit volume flood hydrograph approach, for disaggregating daily flood flows into sub‐daily flows that takes advantage of the strong relationship between the standardized instantaneous flood peak and the standardized daily flood hydrograph rising‐limb steepness index. The strength of this relationship, which is considerably stronger than the relationship between the standardized flood peak and the event flood volume, is shown using data from six rivers flowing into the Gippsland Lakes in southeast Australia. The results indicate that the steepness index unit volume flood hydrograph approach can be used to disaggregate modelled daily flood flows satisfactorily, but its reliability is dependent on a model's ability to simulate the standardized daily flood hydrograph rising‐limb steepness index and the event flood volume. Copyright © 2007 John Wiley & Sons, Ltd.
Effect of aroclor 1248 and two pure PCB congeners on phospholipase D activity in rat renal tubular cell cultures
Authors: Santiago Mercedes Fernández , López‐Aparicio Pilar , Recio María N. , Pérez‐Albarsanz Miguel A. 
Published: April 2007

AbstractThis paper elucidates the effect of different polychlorinated biphenyls (PCBs) on the phospholipase D (PLD) activity in soluble and particulate fractions of rat renal proximal tubular culture cells. Treatment with Aroclor 1248 (a commercial PCB mixture) caused a marked increase in the activity of PLD in intact renal tubular cells. The PLD activity was increased by Aroclor 1248 in the particulate fraction while the enzyme activity was unaffected in the soluble fraction. This work also shows that PCB 153 (2,2',4,4',5,5'‐hexachlorobiphenyl, a di‐ortho‐substituted nonplanar congener) can increase the activity of PLD only in the particulate fraction. The exposure of cell cultures to PCB 77 (3,3',4,4'‐tetrachlorobiphenyl, a non‐ortho‐substituted planar congener) does not alter PLD activity. These results suggest that PCB effects are structure dependent. Therefore, in order to clarify the molecular mechanism of activation of PLD by PCBs, the contents of immunoreactive PLD were examined by immunoblot analysis. Renal tubular cells expressed a PLD protein of 120 kDa corresponding with the PLD1 mammalian isoform in both the particulate and the soluble fraction. Aroclor 1248, PCB 153, and PCB 77 do not induce changes in the levels of PLD protein. These data indicate that PCBs, particularly nonplanar congeners, increase PLD activity. Moreover, these changes could not be demonstrated in the enzyme content in rat renal tubular cell cultures. © 2007 Wiley Periodicals, Inc. J Biochem Mol Toxicol 21:68–75, 2007; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/jbt.20160
Inhibition of fipronil and nonane metabolism in human liver microsomes and human cytochrome P450 isoforms by chlorpyrifos
Authors: Joo Hyun , Choi Kyoungju , Rose Randy L. , Hodgson Ernest 
Published: April 2007

AbstractPrevious studies have established that chlorpyrifos (CPS), fipronil, and nonane can all be metabolized by human liver microsomes (HLM) and a number of cytochrome P450 (CYP) isoforms. However, metabolic interactions between these three substrates have not been described. In this study the effect of either coincubation or preincubation of CPS with HLM or CYP isoforms with either fipronil or nonane as substrate was investigated. In both co‐ and preincubation experiments, CPS significantly inhibited the metabolism of fipronil or nonane by HLM although CPS inhibited the metabolism of fipronil more effectively than that of nonane. CPS significantly inhibited the metabolism of fipronil by CYP3A4 as well as the metabolism of nonane by CYP2B6. In both cases, preincubation with CPS caused greater inhibition than coincubation, suggesting that the inhibition is mechanism based. © 2007 Wiley Periodicals, Inc. J Biochem Mol Toxicol 21:76–80, 2007; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/jbt.20161
A Mu‐class glutathione S‐transferase from gills of the marine shrimp Litopenaeus vannamei: Purification and characterization
Authors: Contreras‐Vergara Carmen A. , Valenzuela‐Soto Elisa , García‐Orozco Karina D. , Sotelo‐Mundo Rogerio R. , Yepiz‐Plascencia Gloria 
Published: April 2007

AbstractGlutathione S‐transferases (GSTs) are a family of detoxifying enzymes that catalyze the conjugation of glutathione (GSH) to electrophiles, thereby increasing the solubility of GSH and aiding its excretion from the cell. In this study, a glutatione S‐transferase from the gills of the marine shrimp Litopenaeus vannamei was purified by affinity chromatography using a glutathione–agarose affinity column. GST was purified to homogeneity as judged by reducing SDS‐PAGE and zymograms. This enzyme is a homodimer composed of ∼25‐kDa subunits and identified as a Mu‐class GST based on its activity against 1‐chloro‐2,4‐dinitrobenzene (CDNB) and internal peptide sequence. The specific activity of purified GST was 440.12 μmol/(min mg), and the Km values for CDNB and GSH are very similar (390 and 335 μM, respectively). The intersecting pattern of the initial velocities of this enzyme in the Lineweaver–Burke plot is consistent with a sequential steady‐state kinetic mechanism. The high specific activity of shrimp GST may be related to a highly effective detoxification mechanism necessary in gills since they are exposed to the external and frequently contaminated environment. © 2007 Wiley Periodicals, Inc. J Biochem Mol Toxicol 21:62–67, 2007; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/jbt.20162
Increase in the toxic effects of Tl+ on isolated rat liver mitochondria in the presence of nonactin
Authors: Korotkov Sergey M. , Glazunov Vadim V. , Yagodina Olga V. 
Published: April 2007

AbstractThe effects of Tl+ ions on isolated rat liver mitochondria were studied in the presence of nonactin, a cyclic ionophore. Nonenergized rat liver mitochondria were increasingly swollen at an elevated concentration of Tl+ in the 160 mOsm medium containing 0–150 mM sucrose and 0–75 mM TlNO3 or 0–50 mM Tl acetate. On the contrary, mitochondria in experiments with nonactin were contracted in the medium with 5–25 mM Tl+ and were swollen only in the medium with 50–75 mM TlNO3 or 50 mM Tl acetate. State 4 respiration along with swelling of succinate‐energized mitochondria followed contraction after their deenergization was further enhanced at increasing concentration of Tl acetate in a medium containing nonactin. Regardless of the presence of nonactin, State 3 and 2,4‐dinitrophenol (DNP)‐stimulated respiration and the monoamine oxidase (MAO) activity were not affected in the medium with 0–25 mM Tl acetate and sucrose. DNP‐stimulated respiration decreased and the MAO activity somewhat increased in the medium containing 50 mM Tl acetate and nonactin. Uptake of 86Rb+ by energized mitochondria in the presence of valinomycin was considerably decreased when Tl+ and nonactin were simultaneously present in the medium. An increase of the toxic effect of Tl+ on rat liver mitochondria in the presence of nonactin is accounted for by disruption of mitochondria due to their more extensive swelling and uncoupling of mitochondria, resulting in the stimulation of State 4 and depletion of their energy store. © 2007 Wiley Periodicals, Inc. J Biochem Mol Toxicol 21:81–91, 2007; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/jbt.20163
MEK/ERK‐dependent uPAR expression is required for motility via phosphorylation of P70S6K in human hepatocarcinoma cells
Authors: Bessard Anne , Frémin Christophe , Ezan Frédéric , Coutant Alexandre , Baffet Georges 
Published: April 2007

AbstractMotility and invasiveness events require specific intracellular signaling cascade activations. In cancer liver cells, one of these mechanisms could involve the MAPK MEK/ERK cascade activation which has been shown over expressed and activated in hepatocellular carcinoma. To study whether the MEK/ERK cascade is involved in the motility of HCC, we examined the effect of MEK inhibitor and ERK2 silencing using monolayer wound‐healing assays and fluoroblock invasion systems. Evidence was provided that the MAPK cascade is a key transduction pathway which controls HCC cells motility and invasiveness. We could disconnect proliferation to motility using mitomycin C and we established that RNAi‐mediated inhibition of ERK2 led to strongly reduced cell motility. To improve our understanding, we analysed the regulation and the role of urokinase receptor (uPAR) in this process. We provided evidence that uPAR was under a MEK/ERK dependent mechanism and blocking uPAR activity using specific antagonist or inhibiting its expression by RNA interference which resulted in complete inhibition of motility. Moreover, we found in MAPK inhibited cultures and in uPAR silencing cells that p70S6K phosphorylation on residue Thr‐389 was significantly reduced, whereas Ser‐421/Thr‐424 phosphorylation did not change. We highlighted that the FRAP/mTOR pathway did not affect motility and Thr‐389 phosphorylation. Furthermore, we demonstrated that p70S6K inhibition by RNA interference completely inhibited hepatocarcinoma cell motility. Therefore, targeting uPAR and/or MEK/ERK/S6K by RNA interference could be a major therapeutic strategy for the future treatment of invasive hepatocarcinoma cells. J. Cell. Physiol. 212: 526–536, 2007. © 2007 Wiley‐Liss, Inc.
D‐glucose stimulation of L‐arginine transport and nitric oxide synthesis results from activation of mitogen‐activated protein kinases p42/44 and Smad2 requiring functional type II TGF‐β receptors in human umbilical vein endothelium
Authors: Vásquez Rodrigo , Farías Marcelo , Vega José Luis , Martin Rody San , Vecchiola Andrea , Casanello Paola , Sobrevia Luis 
Published: April 2007

AbstractElevated extracellular D‐glucose increases transforming growth factor β1 (TGF‐β1) release from human umbilical vein endothelium (HUVEC). TGF‐β1, via TGF‐β receptors I (TβRI) and TβRII, activates Smad2 and mitogen‐activated protein kinases p44 and p42 (p42/44mapk). We studied whether D‐glucose‐stimulation of L‐arginine transport and nitric oxide synthesis involves TGF‐β1 in primary cultures of HUVEC. TGF‐β1 release was higher (∼1.6‐fold) in 25 mM (high) compared with 5 mM (normal) D‐glucose. TGF‐β1 increases L‐arginine transport (half maximal effect ∼1.6 ng/ml) in normal D‐glucose, but did not alter high D‐glucose‐increased L‐arginine transport. TGF‐β1 and high D‐glucose increased hCAT‐1 mRNA expression (∼8‐fold) and maximal transport velocity (Vmax), L‐[3H]citrulline formation from L‐[3H]arginine (index of NO synthesis) and endothelial NO synthase (eNOS) protein abundance, but did not alter eNOS phosphorylation. TGF‐β1 and high D‐glucose increased p42/44mapk and Smad2 phosphorylation, an effect blocked by PD‐98059 (MEK1/2 inhibitor). However, TGF‐β1 and high D‐glucose were ineffective in cells expressing a truncated, negative dominant TβRII. High D‐glucose increases L‐arginine transport and eNOS expression following TβRII activation by TGF‐β1 involving p42/44mapk and Smad2 in HUVEC. Thus, TGF‐β1 could play a crucial role under conditions of hyperglycemia, such as gestational diabetes mellitus, which is associated with fetal endothelial dysfunction. J. Cell. Physiol. 212:626–632, 2007. © 2007 Wiley‐Liss, Inc.
Acardiac syndrome coexisting with complex skeletal dysplasia in the co‐twin: 3D sonographic findings
Authors: Chen Chih‐Yao , Wu Yi‐Cheng , Chen Cheng‐Li , Yang Man‐Li 
Published: April 2007

AbstractWe present a case of twin reversed arterial perfusion syndrome complicated by an acardius acephalus fetus and complex skeletal dysplasia in the co‐twin, including a reduction of the right arm and absence of the right scapula and 4 ribs, as evaluated with three‐dimensional sonography and MRI. © 2007 Wiley Periodicals, Inc. J Clin Ultrasound, 2007
Gonadal brucellar abscess: Imaging and clinical findings in 3 cases and review of the literature
Authors: Koc Zafer , Turunc Tuba , Boga Can 
Published: April 2007

AbstractWe report the cases of 3 patients with brucellar gonadal abscess who were examined with gray‐scale and color Doppler sonography. In these 3 cases, sonography revealed a thick‐walled avarian (n = 2) or testicular (n = 1) abscess. Duplex Doppler sonography indicated a low‐resistance type of flow in all 3 patients. The diagnosis of brucellar gonadal abscess is difficult, because it may have a misleading tumor‐like appearance. Awareness of the imaging findings of gonadal abscess in patients with brucellosis and correlation with the results of serologic testing can allow early diagnosis, especially in endemic areas. © 2007 Wiley Periodicals, Inc. J Clin Ultrasound, 2007
Contexts and experimentalism in the psychology of Gabriele Buccola (1875–1885)
Authors: Degni Silvia , Foschi Renato , Lombardo Giovanni Pietro 
Published: April 2007

AbstractGabriele Buccola, since his untimely death, often has been mentioned as the first Italian psychologist who developed a strict program of laboratory research. Buccola, a Sicilian of Albanian ancestry, is a “case” in the history of Italian psychology. A self‐taught positivist, he established a relation with the major representatives of the European positivism. Kraepelin mentions him as one of the precursors of his project of applying experimental psychology to psychopathology. Buccola actually carried out research on the psychological, chemical‐biological, and psychopathological “modifiers” of reaction times, following an experimental program dealing mainly with the differential study both of basic and superior psychological processes, with mental hygiene ends. Historians of psychology agree in considering Buccola the first Italian laboratory psychologist to plan a program of research that was close to European psychological experimentalism.The present article, starting from an outline of Buccola's role in the rising Italian scientific psychology, recontextualizes his experimentalism in an international sphere. This operation, which is carried out through a careful survey of Buccola's entire production—both theoretical and more properly scientific—is based on the search of the Darwinian, Spencerian, and Haeckelian evolutionist themes emerging from Buccola's program of research—a program that was influenced by the variegated European experimental panorama and characterized by the vision of science as a knowledge capable of transforming the nature of man and of society. © 2007 Wiley Periodicals, Inc.
Institutional variation in ordering complete blood counts for children hospitalized with bronchiolitis
Authors: Tarini Beth A. , Garrison Michelle M. , Christakis Dimitri A. 
Published: April 2007

AbstractBACKGROUNDIn the evaluation of infants with bronchiolitis there is little evidence to support the use of diagnostic testing, particularly complete blood counts (CBCs). However, the extent to which CBCs are ordered in the evaluation of infants with bronchiolitis is unknown.OBJECTIVES(1) To determine institutional variability in ordering of initial and repeat CBCs in infants hospitalized with bronchiolitis; (2) to examine the relationship between proportion of admissions with CBCs and mean hospital charges.METHODSWe analyzed the Pediatric Health Information System database, which contains demographic and diagnostic data from 30 U.S. children's hospitals. We restricted our analysis to children less than 12 months old with a primary discharge diagnosis of bronchiolitis and an APR‐DRG of bronchiolitis/asthma. We performed multivariate ANOVA to examine variability in initial and repeat CBC ordering across hospitals, controlling for potential confounders. We used stratified logistic regression to determine which factors were associated with repeat CBCs. We examined the relationship between proportion of admissions with CBCs and mean hospital charges using t tests.RESULTS17,397 children were included in the analysis, and 48.2% had at least 1 CBC, whereas 7.8% had more than 1 CBC. The proportion of admissions with initial (23.2%‐70.2%) and repeat (0%‐18.6%) CBCs varied significantly across hospitals. Compared to those hospitals with the lowest proportion of admissions with CBCs, hospitals with higher proportions of CBCs had significantly higher mean hospital stay charges.CONCLUSIONSGiven the potential downstream medical and financial consequences associated with CBC ordering in evaluation of infants with bronchiolitis, explanations for institutional variation warrant exploration. Journal of Hospital Medicine 2007;2:69–73. © 2007 Society of Hospital Medicine.