bluuebunny/crossref_metadata_2025_split huggingface dataset:
Estimation of Hammett sigma constants of substituted benzenes through accurate density‐functional calculation of core‐electron binding energy shifts
Authors: Takahata Yuji , Chong Delano P. 
Published: February 2005

AbstractFor substituted benzenes such as (p‐F‐C6H4‐Z), Linderberg et al. 1 demonstrated the validity of an equation similar to: ΔCEBE ≈ κσ, where ΔCEBE is the difference in core‐electron binding energies (CEBEs) of the fluorinated carbon in p‐F‐C6H4‐Z and that in FC6H5, the parameter κ is a function of the type of reaction, and σ is the Hammett substituent (σ) constant. In this work, CEBEs of ring carbon atoms for a series of para disubstituted molecules p‐F‐C6H4‐Z were first calculated using Density Functional Theory (DFT) with the scheme ΔEKS (PW86‐PW91)/TZP+Crel//HF/6‐31G*. An average absolute deviation of 0.13 eV from experiment was obtained for the CEBEs. Then we performed a linear regression analysis in the form of Y = A+B*X for a plot of Hammett σp constants against calculated shifts ΔCEBEs (in eV) for the fluorinated carbon. The results were: A = –0.08 and B = 1.01, with correlation coefficient R = 0.973, standard deviation = 0.12, and P < 0.0001. The intercept A of the fitted line, close to zero, shows that the Hammett σp constant is proportional to the calculated ΔCEBEs. On the other hand, the slope B of the straight line gives an estimate of the parameter κ. Similar statistical correlations were obtained for the carbon atoms ortho and meta to the substituent Z. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Theoretical investigation of hydrogen bonding in lactonitrile–water complexes
Authors: Rivelino Roberto , Canuto Sylvio 
Published: February 2005

AbstractMøller‐Plesset perturbation and density functional theories were applied to study the relative strength of the H‐bonds formed in different sites (OH, CN, and CH) of lactonitrile with water. Three lactonitrile–water complexes (termed I, II, and III) were located. Then structures, binding energies, and changes in their vibrational frequencies were calculated using the MP2 method and the B3PW91 functional with the 6‐311++G(2df,2p) basis set. The binding energies were corrected for the basis set superposition errors and zero‐point vibration energies. At the MP2 level the corrected binding energy of the most strongly bonded Complex I was calculated to be 6.5 kcal/mol, whereas it is only 2.9 kcal/mol for the Complex II. The CH…O hydrogen‐bonded Complex III was found to have a very small binding energy between 1.5 and 2 kcal/mol. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Erratum: Trial introduction of a complex potential function for perturbation that causes quantum mechanical transition in a one‐dimensional harmonic oscillator, Mitsuru Yamada, International Journal of Quantum Chemistry (2004) 99(3) 127–141
Authors: Yamada Mitsuru 
Published: February 2005

AbstractThe original article to which this Erratum refers was published in International Journal of Quantum Chemistry (2004) 99(3) 127–141
Development of apatite‐type oxide ion conductors
Authors: Slater P.R. , Sansom J.E.H. , Tolchard J.R. 
Published: February 2005

AbstractResearch into materials displaying oxide ion conductivity is attracting considerable attention due to their potential technological applications in devices such as Solid Oxide Fuel Cells. In this paper, recent work on apatite‐type oxide ion conductors is reviewed, showing that a wide range of cation substitutions are possible, due to the flexibility of the apatite structure in accommodating a range of ion sizes. The conductivity studies on these doped samples show that to achieve high oxide ion conduction, non‐stoichiometry in terms of cation vacancies and/or oxygen excess is required, with the latter resulting in the highest conductivities. In contrast to most common oxide ion conductors, e.g. perovskite and fluorite in which oxide ion conduction proceeds via oxygen vacancies, the research on these apatite systems suggests that the conductivity involves interstitial oxide ions. With further optimization of these materials, particularly in terms of the Ge‐containing systems, significant improvements in conductivity are likely, leading to the very real possibility of the application of apatite‐type electrolytes in fuel cell and other applications. © 2005 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 4: 373–384; 2004: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20028
Plant responses to elevated CO2 concentration at different scales: leaf, whole plant, canopy, and population
Authors: Hikosaka Kouki , Onoda Yusuke , Kinugasa Toshihiko , Nagashima Hisae , Anten Niels PR , Hirose Tadaki 
Published: February 2005

AbstractElevated CO2 enhances photosynthesis and growth of plants, but the enhancement is strongly influenced by the availability of nitrogen. In this article, we summarise our studies on plant responses to elevated CO2. The photosynthetic capacity of leaves depends not only on leaf nitrogen content but also on nitrogen partitioning within a leaf. In Polygonum cuspidatum, nitrogen partitioning among the photosynthetic components was not influenced by elevated CO2 but changed between seasons. Since the alteration in nitrogen partitioning resulted in different CO2‐dependence of photosynthetic rates, enhancement of photosynthesis by elevated CO2 was greater in autumn than in summer. Leaf mass per unit area (LMA) increases in plants grown at elevated CO2. This increase was considered to have resulted from the accumulation of carbohydrates not used for plant growth. With a sensitive analysis of a growth model, however, we suggested that the increase in LMA is advantageous for growth at elevated CO2 by compensating for the reduction in leaf nitrogen concentration per unit mass. Enhancement of reproductive yield by elevated CO2 is often smaller than that expected from vegetative growth. In Xanthium canadense, elevated CO2 did not increase seed production, though the vegetative growth increased by 53%. As nitrogen concentration of seeds remained constant at different CO2 levels, we suggest that the availability of nitrogen limited seed production at elevated CO2 levels. We found that leaf area development of plant canopy was strongly constrained by the availability of nitrogen rather than by CO2. In a rice field cultivated at free‐air CO2 enrichment, the leaf area index (LAI) increased with an increase in nitrogen availability but did not change with CO2 elevation. We determined optimal LAI to maximise canopy photosynthesis and demonstrated that enhancement of canopy photosynthesis by elevated CO2 was larger at high than at low nitrogen availability. We also studied competitive asymmetry among individuals in an even‐aged, monospecific stand at elevated CO2. Light acquisition (acquired light per unit aboveground mass) and utilisation (photosynthesis per unit acquired light) were calculated for each individual in the stand. Elevated CO2 enhanced photosynthesis and growth of tall dominants, which reduced the light availability for shorter subordinates and consequently increased size inequality in the stand.
Comparing Self-Reports to Traces of Studying Behavior as Representations of Students' Studying and Achievement
Authors: Jamieson-Noel Dianne , Winne Philip H. 
Published: February 2005

Ein Vergleich von Selbstberichtdaten mit verhaltensbasierten Indikatoren des Lernverhaltens und der Leistung von Studierenden Zusammenfassung: In dieser Studie verglichen wir Modelle des selbstgesteuerten Lernens, die auf dem Selbstbericht versus der Aufzeichnung von “Verhaltensspuren” des Einsatzes von Lerntaktiken beim Lesen eines Textes beruhen. Die selbst berichteten Lerntaktiken unterschieden sich von den im Verhalten tatsächlich gezeigten Taktiken. In getrennten Regressionsmodellen erwiesen sich sowohl selbst berichtete als auch im Verhalten gezeigte Taktiken als Prädiktoren der Leistung, wobei jedoch unterschiedliche Arten von Taktiken in die beiden Modelle aufgenommen wurden. Getrennte Hauptkomponentenanalysen zeigten, dass verhaltensbasierte Indikatoren andere Formen selbstgesteuerten Lernens beschreiben als selbst berichtete Taktiken. Dies lässt darauf schließen, dass der Selbstbeschreibung des eigenen Lernverhaltens andere Prinzipien zugrunde liegen als der tatsächlichen Ausübung dieses Verhaltens. Wir schlagen daher vor, dass in der Forschung zum selbstgesteuerten Lernen und seiner Beziehung zu Lernleistungen sowohl Selbstberichtsdaten als auch verhaltensbasierte Indikatoren des Einsatzes von Lerntaktiken verwendet werden sollten.
Ceramide alters endothelial cell permeability by a nonapoptotic mechanism
Authors: Lindner Karsten , Uhlig Ulrike , Uhlig Stefan 
Published: February 2005

Ceramide is a lipid second messenger that was recently identified as mediator of pulmonary edema in vivo. Here, we investigated the effect of ceramide on the permeability of confluent endothelial cell monolayers.
In monolayers of bovine pulmonary artery and human microvascular pulmonary endothelial cells, incubation with C6‐ceramide for 3 h elevated permeability in a concentration‐dependent manner, whereas dihydroceramide was without effect.
After 3 h of incubation with ceramide, we found no signs of necrosis (release of lactate dehydrogenase, loss of thiazylyl blue reduction) or apoptosis (ssDNA, caspase‐8 activity).
The increased endothelial permeability in response to ceramide was attenuated by the Ser/Thr protein kinase inhibitors K252a, K252b and H‐7, as well as by the phosphatidylinositol‐specific phospholipase C inhibitor L108. Since in some systems sphingosine‐1‐phosphate (S1P) acts antagonistic to ceramide, the effect of S1P was studied. S1P transiently increased endothelial cell resistance, whether it was given together with ceramide or 90 min thereafter.
These data provide a novel example of the antagonism between S1P and ceramide. Our findings further suggest that ceramide alters vascular permeability by activation of pathways dependent on unidentified phospholipase C and Ser/Thr kinase isoenzymes.

British Journal of Pharmacology (2005) 145, 132–140. doi:10.1038/sj.bjp.0706173
The mechanism underlying the contractile effect of a chemotactic peptide, formyl‐Met‐Leu‐Phe on the guinea‐pig Taenia coli
Authors: Kawata Hiroshi , Hirano Katsuya , Nishimura Junji , Kubo Chiharu , Kanaide Hideo 
Published: February 2005

The contractile mechanism of N‐formyl‐L‐methionyl‐L‐leucyl‐L‐phenylalanine (fMLP) was investigated in the guinea‐pig Taenia coli, by simultaneously monitoring the changes in the cytosolic Ca2+ concentration ([Ca2+]i) and force.
fMLP induced a significant elevation of [Ca2+]i and force at concentrations higher than 10 nM. The maximal response was obtained at a concentration of higher than 1 μM.
fMLP (10 μM) augmented the force development induced by a stepwise increment of the extracellular Ca2+ concentration during 60 mM K+ depolarization, while it had no effect on the [Ca2+]i elevation, and thus produced a greater force for a given elevation of [Ca2+]i than 60 mM K+ depolarization.
The removal of extracellular Ca2+ completely abolished the fMLP‐induced contraction. The fMLP‐induced [Ca2+]i elevation was inhibited substantially but not completely by 10 μM diltiazem, partly by 10 μM SK&F 96365, and completely by their combination.
Y27632, a specific inhibitor of rho‐kinase, had no significant effect on the fMLP‐induced [Ca2+]i elevation and force development.
Chenodeoxycholic acid, a formyl peptide receptor antagonist, specifically abolished the fMLP‐induced contraction but not high K+‐ or carbachol‐induced contractions.
A dual lipoxygenase/cyclooxygenase inhibitor, a 5‐lipoxygenase inhibitor, a nonselective leukotriene receptor antagonist, and a selective type 1 cysteinyl‐containing leukotriene receptor antagonist specifically reduced the fMLP‐induced contraction.
We suggest that the low‐affinity‐type fMLP receptor and lipoxygenase metabolites of arachidonic acid are involved in the fMLP‐induced contraction in the guinea‐pig T. coli. This contraction mainly depends on the [Ca2+]i elevation due to Ca2+ influx and the enhancement of Ca2+ sensitivity in the contractile apparatus.

British Journal of Pharmacology (2005) 145, 353–363. doi:10.1038/sj.bjp.0706181
Evidence for Na+/Ca2+ Exchanger 1 Association with Caveolin‐1 and ‐2 in C6 Glioma Cells
Authors: Cha Seok Ho , Shin Sun Young , Jung Sang Yong , Kim Yun Tai , Park Yong Joo , Kwak Jin‐Oh , Kim Hyun‐Woo , Suh Chang Kook 
Published: February 2005

AbstractThe purpose of this study is to understand the interaction of Na+‐Ca2+ exchanger (NCX1), that is one of the essential regulators of Ca2+ homeostasis, with caveolin (Cav)‐1 and Cav‐2 in Cav‐3 null cell (rat C6 glioma cell). Both mRNA and protein expression of NCX1, Cav‐1 and Cav‐2 was observed, but no expression of mRNA and protein of Cav‐3 were observed in C6 glioma cells. In isolated caveolae‐enriched membrane fraction, the NCX1, Cav‐1 and Cav‐2 proteins localized in same fractions. The experiment of immuno‐precipitation showed complex formation between the NCX1 and Cavs. Confocal microscopy also supported co‐localization of NCX1 and Cavs at the plasma membrane. Functionally, sodium‐free induced forward mode of NCX1 attenuated by Cav‐1 antisense ODN. When treated cells with Cav‐2 antisense ODN, both reverse and forward mode of NCX1 was attenuated. From these results, in the Cav‐3 lacking cells, the function of NCX1 might be regulated by binding with Cavs. Considering the decrement of NCX1 activity by antisense ODNs, caveolins may play an important role in diverse of pathophysiological process of NCX1‐related disorders in the body.
IUBMB Life, 56: 621‐627, 2004
Insulin Regulation of Fatty Acid Synthase Gene Transcription: Roles of USF and SREBP‐1c
Authors: Griffin Michael J. , Sul Hei Sook 
Published: February 2005

AbstractThe transcriptional regulation of lipogenesis is a highly coordinated process occurring in concert with transcriptional as well as post‐transcriptional regulation of enzymes involved in glycolysis and gluconeogenesis. Fatty acid synthase (FAS) plays a central role in de novo lipogenesis by converting acetyl‐CoA and malonyl‐CoA into the final end product, palmitate, which can subsequently be esterified into triacylglycerols and then stored in adipose tissue. Ultimately, this helps to prevent buildup of excess glucose in other types of cells and tissues, the effects of which can be readily observed in the pathophysiology of disease states such as Type‐II diabetes and obesity. Thus, elucidating the transcriptional mechanisms of lipogenic enzyme genes is important for understanding the normal regulation of lipogenesis and ultimately the dysregulation that may occur in certain metabolic disease. In this review, we discuss advances in our understanding of the regulation of lipogenesis at the genetic level, with a special emphasis on the common cis‐ and trans‐acting factors involved in regulation of FAS. Two transcription factors, Upstream Stimulatory Factor (USF) and Sterol Regulatory Element Binding Protein‐1c (SREBP‐1c), seem to play a dominant and possibly cooperative role in regulating FAS transcription.
IUBMB Life, 56: 595‐600, 2004
Investigating team work in the Egyptian context
Authors: El‐Kot Ghada , Leat Mike 
Published: February 2005

PurposeThe aim is to explore in the Egyptian context the incidence and pervasiveness of teamworking, the types of teams in use, and to gather information on some of the factors perceived by researchers in the West to be influential in determining team effectiveness.Design/methodology/approachThis paper reports and discusses a preliminary inquiry in a sample of 20 manufacturing and service organisations in Egypt. The research was conducted by way of face‐to‐face semi‐structured interviews with between three and five managers in each of the organisations. Comparisons are drawn with much of the western literature and further research needs are identified.FindingsThis initial survey has provided evidence of the utilisation of teamworking in a sample of employing organisations in Egypt, which in several respects appears to reflect trends and developments in the more developed economies of the West.Research limitations/implicationsIn this survey only some of the factors identified as influencing team effectiveness were investigated and further research is required to examine in more detail the relevance of the various models of team effectiveness devised by researchers in the western context.Practical implicationsThe research was exploratory and is the precursor to a wider and deeper study concerning team effectiveness in the Egyptian context.Originality/valueThe study reported is initial and exploratory in nature and, as far as the authors are aware, the first study of teamworking in Egypt.
Cultural lag: a relevant framework for social justice
Authors: Brinkman Richard L. , Brinkman June E. 
Published: February 2005

PurposeThis paper aims to show the interrelation and relevancy of the concept and theory of cultural lag to social justice. The conception of social justice, though wide in scope, is applied in this paper to the limited domain of equality of opportunity and fairness with respect to income distribution.Design/methodology/approach – The methodology of this paper is holistic and interdisciplinary, and interrelates the social and the economic in the overall dynamics of general culture evolution.Findings – The “inverted U‐curve hypothesis” of Simon Kuznets implies that a greater equality of income distribution would be forthcoming in an economy characterized by a mature phase of modern economic growth. Empirical evidence demonstrates that such a movement toward greater equality is subject to question. The American experience of the 1920s and the period from 1973 to the present offers evidence to question the U‐curve hypothesis. Contrary to expectations, during these periods income distribution became more unequal. These periods, indicative of maladjustment, are used to demonstrate and serve as examples of cultural lags. The concept and theory of cultural lag exposes the need for prerequisite institutional adjustment. It consequently appears that the American institutional structure, currently directing the economy toward a policy orientation of laissez‐faire and the resulting increased inequality of income distribution, is anachronistic to a modern industrial society oriented toward the goal of social justice.Originality/value – Relevant to the quest of social justice.
3D seismic analysis of slope‐confined canyons from the Plio–Pleistocene of the Ebro Continental Margin (Western Mediterranean)
Authors: Bertoni Claudia , Cartwright Joe 
Published: February 2005

AbstractThis paper documents the importance of three‐dimensional (3D) seismic data for integrated stratigraphic–morphological analysis of slope systems. Furthermore, it contributes to the general understanding of the evolutionary mechanisms of slope‐confined submarine canyons on continental margins and their significance in a sequence stratigraphic framework.Recently acquired 3D seismic data from the Ebro Continental Margin (Western Mediterranean) have been used to study a series of remarkably well‐imaged submarine canyons in the Plio‐Pleistocene succession. Detailed mapping shows that these canyons are restricted to the slope, and thus can be compared with slope‐confined canyons observed on the present day seabed of many continental margins.The slope‐confined canyons are typically 0.5–2 km wide, 10–15 km long, and incise more than 50 m into the slope units. Their most striking characteristic is an upslope branching geometry in the head region involving up to three orders of bifurcation, with downslope development of a single incisional axis. The submarine canyons are characterized by a nested stacking pattern, undergoing alternating phases of cutting and filling. Limited parts of the upper and middle slope remain outside the canyon system, confined in sharp depositional ridges.The canyons are observed on closely spaced surfaces and exhibit a geometry that allowed the construction and discussion of a local sequence stratigraphic model for their evolution. In general, active incision of the canyons is observed at times throughout almost the entire cycle of base‐level change. However, erosional activity is more significant during the later stages of the relative sea level rise and the entire falling stage, with the timing of maximum erosion observed at the end of the cycle. The minimum erosional activity of the canyons is linked instead to the earliest part of the relative sea level rise.
3D seismic interpretation of slump complexes: examples from the continental margin of Israel
Authors: Frey Martinez Jose , Cartwright Joe , Hall Ben 
Published: February 2005

AbstractThis paper uses three‐dimensional (3D) seismic data from the continental margin of Israel (Eastern Mediterranean) to describe a series of slump deposits within the Pliocene and Holocene succession. These slumps are linked to the dynamics of subsidence and deformation of the transform margin of the eastern Mediterranean. Repeated slope failure occurred during the post‐Messinian, when a clay‐dominated progradational succession was forming. This resulted in large‐scale slump deposits accumulating in the mid‐lower slope region of the basin at different stratigraphic levels. It is probable that the slumps were triggered by a combination of slope oversteepening, seismic activity and gas migration.The high spatial resolution provided by the 3D seismic data has been used to define a spectrum of internal and external geometries within slump deposits. Importantly, we recognise two main zones for many of the slumps on this margin: a depletion zone and an accumulation zone. The former is characterised by extension and translation, and the latter by complex imbricate thrusts and fold systems. Volume‐based seismic attribute analysis reveals transport directions within the slump deposits, which are predominately downslope, but with subtle variations particularly at the lateral margins. Basal shear surfaces are observed to ramp both up and down stratigraphy. Slump evolution occurs both by retrogressive upslope failure, and by downslope propagation (out‐of‐sequence) failure. Slump anatomy and the combination of factors responsible for slump failure and transport are relatively poorly understood, mainly because of the limited 3D of outcrop control; hence, this subsurface study is an example of how improved understanding of the mechanisms and products can be obtained using this 3D seismic methodology in unstable margin areas.
3D seismic expression of fluid migration and mud remobilization on the Gjallar Ridge, offshore mid‐Norway
Authors: Hansen J. P. V. , Cartwright J. A. , Huuse M. , Clausen O. R. 
Published: February 2005

AbstractThis paper presents a three‐dimensional (3D) seismic analysis of sediment remobilization and fluid migration in a 2000‐km2 area above the Gjallar Ridge located in the Vøring Basin, offshore Norway. Three distinct types of mounded structures have been identified as resulting from focused fluid/gas migration and associated mud remobilization and intrusion. Type A structures are gently mounded, and we infer that these structures formed because of in situ remobilization of Middle Eocene to Lower–Middle Oligocene fine‐grained sediments in response to fluid and minor sediment injection via deep‐seated normal faults. Type B structures comprise relatively steep‐sided mounds and are restricted to the pre‐Miocene interval. They are often located above narrow zones of discontinuous low‐amplitude reflections resembling gas chimneys. Some of the Type B structures are associated with stacked amplitude anomalies and possible mud volcanoes at the base Pleistocene indicating their long‐term significance as vertical fluid conduits. Type C structures comprise discrete mound features that seem to jack up the Top Palaeocene (Top Brygge) horizon. These are similar to hydrothermal mounds found elsewhere on the Norwegian Margin and associated with igneous sill intrusion during North Atlantic breakup. This study highlights the utility of 3D seismic data for mapping of fluid and sediment mobilization through time over large basinal areas.