bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photoadducts of Metallic Compounds with Nucleic Acids − Role Played by the Photoelectron Transfer Process and by the TAP and HAT Ligands in the RuII Complexes
Authors: Blasius Romain , Moucheron Cécile , Kirsch‐De Mesmaeker Andrée 
Published: October 2004

AbstractThe properties that are characteristic of TAP (1,4,5,8‐tetraazaphenanthrene) and HAT (1,4,5,8,9,12‐hexaazatriphenylene) RuII complexes under illumination are highlighted and compared with those of other metallic complexes. In particular, the photo‐oxidizing power of their 3MLCT states leads to a quenching of luminescence accompanied by a photoreaction when they are in presence of nucleic acids. The proton‐coupled photoinduced electron transfer with the guanine nucleobases produces metallic adducts on DNA guanine units. The mechanism of formation, structure, and possible applications of these photoadducts are discussed and compared with other DNA metallic adducts currently in the literature. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
Cover Picture: Palladium Complexes with Chiral Diphospholane Ligands: Comparative Catalytic Properties and Analysis of (η3‐Allyl)palladium Species (Eur. J. Inorg. Chem. 20/2004)
Authors: Malaisé Grégory , Ramdeehul Shailesh , Osborn John A. , Barloy Laurent , Kyritsakas Nathalie , Graff Roland 
Published: October 2004

AbstractThe cover picture shows the low‐temperature 31P NMR signals and simplified 3D representations of exo and endo isomers of an (η3‐1,3‐diphenylallyl)palladium(II) complex in which the metal center is coordinated by a chiral xanthene‐derived diphospholane ligand. Such complexes are intermediates in palladium‐catalyzed allylic substitution, and their structures determined by 2D NMR spectroscopy allow for the interpretation of the enantioselectivities of the catalytic process in terms of preferential rotation of the allyl group. Key methyl groups of the chiral ligand that govern this rotation are represented by yellow spheres in the background. Details on these complexes and others and on asymmetric catalysis can be found in the article by J. A. Osborn, L. Barloy et al. on p. 3987 ff. The authors are indebted to Bernard Lafleuriel (CURRI‐Visu) for his help concerning the artwork of the cover picture.
Markers of individual susceptibility and DNA repair rate in workers exposed to xenobiotics in a tire plant
Authors: Vodicka Pavel , Kumar Rajiv , Stetina Rudolf , Musak Ludovit , Soucek Pavel , Haufroid Vincent , Sasiadek Maria , Vodickova Ludmila , Naccarati Alessio , Sedikova Jana , Sanyal Somali , Kuricova Miroslava , Brsiak Viliam , Norppa Hannu , Buchancova Jana , Hemminki Kari 
Published: October 2004

AbstractWorkers employed in tire plants are exposed to a variety of xenobiotics, such as 1,3‐butadiene (BD), soots containing polycyclic aromatic hydrocarbons, and other organic chemicals (e.g., styrene). In the present study, we investigated markers of genotoxicity [chromosomal aberrations (CAs) and single‐strand breaks (SSBs)] in a cohort of 110 tire plant workers engaged in jobs with different levels of xenobiotic exposure in relation to various polymorphisms in genes coding for biotransformation enzymes (CYP1A1, CYP2E1, EPHX1, GSTM1, GSTP1, and GSTT1) and in genes involved in DNA repair (XPD exon 23, XPG exon 15, XPC exon 15, XRCC1 exon 10, and XRCC3 exon 7). In addition, the expression of CYP2E1, a gene playing a key role in BD metabolism, was determined by real‐time PCR in peripheral blood lymphocytes, and the capacity of lymphocytes to repair γ‐ray‐induced SSBs and to convert 8‐oxoguanine in HeLa cell DNA into SSBs was assessed using in vitro assays. No positive associations were detected between the CA frequency or SSB induction and levels of workplace exposure; however, a nonsignificant twofold higher irradiation‐specific DNA repair rate was found among highly exposed workers. In evaluations conducted with the markers of individual susceptibility, workers with low‐EPHX1‐activity genotypes exhibited a significantly higher CA frequency as compared to those with medium and high‐EPHX1‐activity genotypes (P = 0.050). CA frequencies were significantly lower in individuals homozygous for the XPD exon 23 variant allele in comparison to those with the wild‐type CC genotype (P = 0.003). Interestingly, CAs were higher in individuals with higher CYP2E1 expression levels, but the association was nonsignificant (P = 0.097). The results from this study suggest the importance of evaluating markers of individual susceptibility, since they may modulate genotoxic effects induced by occupational exposure to xenobiotics. Environ. Mol. Mutagen. 44: 283–292, 2004. © 2004 Wiley‐Liss, Inc.
Influence of genetic polymorphisms on biomarkers of exposure and genotoxic effects in styrene‐exposed workers
Authors: Godderis Lode , De Boeck Marlies , Haufroid Vincent , Emmery Muriel , Mateuca Raluca , Gardinal Sophie , Kirsch‐Volders Micheline , Veulemans Hendrik , Lison Dominique 
Published: October 2004

AbstractA study on 44 workers exposed to styrene and 44 matched referents was performed in order to examine the influence of genetic polymorphisms in biotransformation and DNA repair enzymes on the levels of N‐terminal hemoglobin adducts and genotoxicity biomarkers. Urinary mandelic acid concentration averaged 201.57 mg/g creatinine ±148.32 in exposed workers, corresponding to a calculated average airborne styrene exposure of 9.5 ppm ±9.6. Individuals with a high level of N‐terminal valine adducts had higher levels of DNA damage, as evaluated by the Comet assay (r = 0.29, P = 0.008). Frequencies of micronucleated mononucleated lymphocytes (MNMC) (0.71 ± 0.88 vs 0.11 ± 0.20, P<0.0001), micronucleated binucleated lymphocytes (MNBC) (3.93 ± 2.75 vs 2.65 ± 1.94, p = 0.02) and micronucleated nasal epithelial cells (0.52 ± 0.49 vs 0.23 ± 0.31, p = 0.04) differed significantly between the exposed and referent groups. In the whole group of 88 individuals, higher frequencies of MNMC were found in individuals possessing the XRCC3 Met241 allele and those individuals with the XRCC1 Gln allele showed higher frequencies of MNMC and MNCB. In vitro DNA repair capacity, as measured by residual DNA strand breaks in peripheral blood leukocytes after a styrene oxide challenge, was also influenced by styrene exposure, with an apparent induction of early repair mechanisms associated with the intensity of recent exposure and a reduction of late (24 h) repair capacity that was associated with the duration of employment. After 1 h of repair, lower levels of residual DNA damage were found in individuals possessing GSTT1 (P = 0.043). After 24 h of repair, lower residual DNA damage was found in individuals homozygous for XRCC1 Arg194 (P = 0.013). Multivariate regression analysis indicated that the duration of exposure, smoking habits and polymorphisms of XRCC1 at codon 399 were important variables affecting the genotoxic responses. Our data suggest that DNA damage is formed in workers exposed to low concentrations of styrene, and that genotypes of metabolising and DNA‐repair genes are important for the assessment of individual genotoxic risk to styrene. The in vitro DNA repair phenotype assay might be a valuable method to estimate the susceptibility of workers. Environ. Mol. Mutagen. 44:293–303, 2004. © 2004 Wiley‐Liss, Inc.
k–l based hybrid LES/RANS approach and its application to heat transfer simulation
Authors: Zhong Bowen , Tucker Paul G. 
Published: October 2004

AbstractTo improve the compatibility of a k–l based hybrid LES/RANS approach, a controllable transitional zone is introduced to bridge the RANS and LES zones. This allows blending of the very different modelled turbulence length scales in these regions. To obtain a smooth variation of the length scales and transitional zone parameters different weighting functions are proposed. Results show the ‘RANS’ region has significant coherent unsteadiness. For Unsteady RANS (URANS) theoretical correctness, a favourable spectral gap between the modelled and resolved scales is required. The use of unsteadiness damping and time step filtering to ensure this is explored. Approaches are tested for a plane channel flow and the flow over a matrix of surface mounted cubes. The capability of the new hybrid LES/RANS method in improving heat transfer prediction in a conjugate heat transfer problem is examined. Numerical tests show that, compared to the RANS simulation, the proposed hybrid LES/RANS scheme performs well for the flow with large scale unsteadiness. It is also effective for improving the prediction of heat transfer. Copyright © 2004 John Wiley & Sons, Ltd.
Responses of human keratocytes to micro‐ and nanostructured substrates
Authors: Teixeira Ana I. , Nealey Paul F. , Murphy Christopher J. 
Published: October 2004

AbstractWe have previously shown that human corneal epithelial cells respond to synthetic topographic features with dimensions similar to those found in the native human corneal basement membrane. Epithelial cells integrated inputs from substrate topography and soluble factors in the culture medium to generate alignment responses to substrate topographic anisotropies. Human keratocytes are the main cellular components of the stroma, the tissue that underlies the corneal epithelium. Here we report that keratocytes aligned more strongly than epithelial cells along topographic patterns of grooves and ridges. On patterns with pitches of 800 nm and larger approximately 70% of keratocytes were aligned along the patterns compared to 35% for epithelial cells. On 70 nm‐wide ridges on a 400‐nm pitch, keratocyte alignment dropped to 45%, whereas epithelial cell alignment remained constant. Similarly to epithelial cells, focal adhesions and associated stress fibers in keratocytes were aligned mainly along the substrate topographies, although oblique orientations were also observed. Furthermore, keratocytes cultured on the nanoscale patterns had fewer stress fibers and focal adhesions than cells cultured on microscale patterns or on smooth substrates. © 2004 Wiley Periodicals, Inc. J Biomed Mater Res 71A: 369–376, 2004
The potential calcification of octacalcium phosphate on intraocular lens surfaces
Authors: Guan Xiangying , Tang Ruikang , Nancollas George H. 
Published: October 2004

AbstractRecently, calcification was observed on implanted intraocular lens (IOL) surfaces when viscoelastic substances were applied during surgery. To elucidate the mechanisms of mineral formation, the crystallization of calcium phosphates on IOL surfaces was studied in vitro with nanomolar sensitivity using a constant composition method. Three different commercial viscoelastic materials (Viscoat®, OcuCoat®, and Amvisc® Plus) were investigated and it was found that some IOLs treated with Viscoat® or Amvisc® Plus induced the nucleation and growth of octacalcium phosphate crystallites under biological conditions. After treatments, the IOL surfaces became more hydrophilic probably because of the high viscoelastic phosphate and carboxylate contents. In contrast to Viscoat®, the use of OcuCoat® during surgery resulted in virtually no octacalcium phosphate nucleations. Calcification studies of IOL surfaces treated with fatty acids, which are present in human aqueous humor, suggest that hydrophobic cyclic silicones adsorbed on the IOL surfaces interact strongly with hydrophobic hydrocarbon chains of the fatty acids, creating a layer of amphiphiles oriented with functional carboxylate groups exposed to the aqueous solution and serving as active calcification sites. © 2004 Wiley Periodicals, Inc. J Biomed Mater Res 71A: 488–496, 2004
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
Authors: Lee Michael S. , Salsbury Freddie R. , Olson Mark A. 
Published: October 2004

AbstractWe present a new hybrid explicit/implicit solvent method for dynamics simulations of macromolecular systems. The method models explicitly the hydration of the solute by either a layer or sphere of water molecules, and the generalized Born (GB) theory is used to treat the bulk continuum solvent outside the explicit simulation volume. To reduce the computational cost, we implemented a multigrid method for evaluating the pairwise electrostatic and GB terms. It is shown that for typical ion and protein simulations our method achieves similar equilibrium and dynamical observables as the conventional particle mesh Ewald (PME) method. Simulation timings are reported, which indicate that the hybrid method is much faster than PME, primarily due to a significant reduction in the number of explicit water molecules required to model hydration effects. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 1967–1978, 2004
Enthalpies of formation of monoderivatives of hydrocarbons: Interaction of polar groups with an alkyl group
Authors: Exner Otto , Böhm Stanislav 
Published: October 2004

AbstractEnergies of hydrocarbon monoderivatives CH3X, C2H5X, n‐C4H9X, and n‐C5H11X with 16 different substituents X were calculated at the levels B3LYP/6‐311+G(d,p) and B3LYP/AUG‐cc‐pVTZ//B3LYP/6‐311+G(d,p). The results were used to test the validity of the additive rule that has served commonly for estimating the enthalpies of formation ΔfH(T). The exact additivity corresponds to zero reaction energy ΔE of the isodesmic reaction, in which the substituent X is transferred from one alkyl group R to another. Additivity is approximately fulfilled for butyl and pentyl derivatives with the differences less than 0.3 kJ mol−1 (except charged groups X). Methyl derivatives deviated from the additive rule up to 22 kJ mol−1 for dipolar groups X and 45 kJ mol−1 for charged group, in agreement with the available experiments and with the anticipation of all suggested empirical schemes. In addition, smaller deviations of ethyl derivatives (3 or 20 kJ mol−1, respectively) were observed here for the first time. There is no correlation between the deviations of methyl and ethyl derivatives; they are also not related to steric effects, and only partly to polarization. Deviations of methyl derivatives are proportional to the electronegativity of the first atom of the substituent; even when the definition of electronegativity is somewhat questionable, one can say in any case that it is controlled by the first atom. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 1979–1986, 2004
Introduction to the special issues on the unified theory
Authors: Henriques Gregg R. , Cobb Harriet C. 
Published: October 2004

AbstractA unified theory of psychology has recently been proposed (Henriques, 2003), and the next two issues of the Journal of Clinical Psychology are devoted to its elaboration and evaluation. The current issue consists of a target article, “Psychology Defined,” which adds to the existing formulation and specifies how the theory can be used to effectively define the science of psychology. Distinguished experts in psychology contribute 13 commentaries offering a wide variety of perspectives on the proposed model. These are followed by two full‐length articles in which one author articulates the need for the unified theory and the other offers a different but compatible approach at integrating psychotherapy and personality. In the next special issue, authors either elaborate on or critique elements of the unified theory. How the new theory lays the foundation for the development of a useful mass movement that could transform the discipline of psychology in a manner that unleashes its constructive potential is the subject of the concluding article. When viewed as a whole, the two issues show that the unified theory provides fertile ground for scientific and philosophical inquiry on multiple levels of analysis, and that it may play a central role in helping the discipline of psychology fulfill its constructive potential. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Psychology defined
Authors: Henriques Gregg R. 
Published: October 2004

AbstractA new form of knowledge technology is used to diagnose psychology's epistemological woes and provide a solution to the difficulties. The argument presented is that psychology has traditionally spanned two separate but intimately related problems: (a) the problem of animal behavior and (b) the problem of human behavior. Accordingly, the solution offered divides the field into two broad, logically consistent domains. The first domain is psychological formalism, which is defined as the science of mind, corresponds to animal behavior, and consists of the basic psychological sciences. The second domain is human psychology, which is defined as the science of human behavior at the individual level and is proposed as a hybrid that exists between psychological formalism and the social sciences. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Psychology's dilemma: An institutional neurosis?
Authors: Katzko Michael W. 
Published: October 2004

AbstractThe term psychology refers both to an institutional discipline and to a subject matter. Henriques, in his article “Psychology Defined” (this issue) , emphasizes the second reference, and its focus can be sharpened by taking into account the first reference. On the one hand, epistemic progress in science is a dynamic process, which, as often as not, cuts across institutional divisions. However, on the other hand there are some problems of disunity that solely concern the institution. That the latter falls within the scope of the Tree of Knowledge is illustrated in how Henriques' “Justification Hypothesis” sheds light on the nature of institutional disunity. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Defining psychology: Is it worth the trouble?
Authors: Lilienfeld Scott O. 
Published: October 2004

AbstractHenrique's thoughtful effort (this issue) to define psychology suffers from at least three shortcomings: (a) “psychology” is almost certainly an inherently fuzzy concept that resists precise definition; (b) attempts to define psychology are likely to hamper rather than foster consilience across scientific disciplines; and (c) Henriques incorrectly diagnoses the cause of the scientist–practitioner gap and hence offers an incorrect prescription. The sources of this gap lie not in intractable definitional disputes, but in fundamentally different approaches to acquiring knowledge. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Rooting the tree of knowledge: A response to Henriques' “Psychology Defined”
Authors: Presbury Jack 
Published: October 2004

AbstractNeither science nor culture could exist without a participant–observer and a conceiving human mind. Being‐in‐the‐world, or “Dasein,” as Heidegger termed it, is fundamental to any conceptual understanding we have of how things work in the universe. There is no view from nowhere. Psychology is the primordial ground in which the tree of knowledge has its roots. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Unifying psychology: Epistemological act or disciplinary maneuver?
Authors: Stam Henderikus J. 
Published: October 2004

AbstractTwo arguments with attempts to unify psychology are adumbrated in this commentary. First, the unification of psychology is largely a disciplinary maneuver and not primarily an epistemological act. Second, the discipline of psychology has been unified for some time around a series of methodological and functional categories that have served to support its institutional projects but hide metaphysical problems. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Metarepresentation and the great cognitive divide: A commentary on Henriques' “Psychology Defined”
Authors: Stanovich Keith E. 
Published: October 2004

AbstractI locate the discontinuity between humans and other animals a bit differently than Henriques (this issue)—in metarepresentational abilities. However, I do think that the justification process might have played a critical role in the development of these metarepresentational abilities. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
The unification of psychology and psychological organizations
Authors: Stricker George 
Published: October 2004

AbstractThe Tree of Knowledge is an imaginative attempt to construct a metatheoretical system that proposes to unify the discipline of psychology. However, it is limited in its appreciation of political factors, and so an optimistic view of the possibility of the system overlooks the power issues that beset the field. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Beyond the justification hypothesis: A broader theory of the evolution of self‐consciousness
Authors: Vazire Simine , Robins Richard W. 
Published: October 2004

AbstractWe evaluate Henriques' Justification Hypothesis (JH; this issue) and argue that his explanation for the evolution of self‐consciousness is overly narrow and the evolutionary sequence of events is backwards. Instead, we propose a broader theory of the evolution of self‐consciousness, with four categories of adaptive functions: (a) self‐regulation, (b) selective information processing, (c) understanding others, and (d) identity formation. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Pluralism in the sciences is not easily dismissed
Authors: Viney Wayne 
Published: October 2004

AbstractThe unification scheme proposed by Henriques in his article “Psychology Defined” (this issue) holds promise as a coherent and comprehensive approach to psychology and as a helpful way to think about the relation of psychology to other sciences. There is, nevertheless, room for concern that there is no concept of unification to date that does not neglect important dimensions of human experience. It is argued that the disunities in psychology need not result in a sense of disciplinary inferiority. In fact, many leading scholars now challenge the belief that other sciences are models of integration and unity. It is also argued that there are not true type identities between levels of organization (e.g., experience and underlying neurological processes). Accordingly, there are serious questions about the kind of unity that can be achieved. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
How does psychotherapy influence personality? A theoretical integration
Authors: Mayer John D. 
Published: October 2004

AbstractA given type of psychotherapy (e.g., psychodynamic) is associated with a set of specific change techniques (e.g., interpreting defenses, identifying relationship themes). Different change techniques can be conceived of as influencing different parts of personality (e.g., interpreting defense increases conscious awareness). An integrated model of personality is presented. Then, change techniques from different theoretical perspectives are assigned by judges to areas of personality the techniques are believed to influence. The results suggest that specific change techniques can be reliably sorted into the areas of personality. Thinking across theoretical perspectives leads to important new opportunities for assessment, therapy outcome research, and communication with patients concerning personality change. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
Transformation products of bisphenol A by a recombinant Trametes villosa laccase and their estrogenic activity
Authors: Fukuda Tetsuya , Uchida Hiroyuki , Suzuki Motoshi , Miyamoto Hideo , Morinaga Hidetaka , Nawata Hajime , Uwajima Takayuki 
Published: October 2004

AbstractA Trametes villosa laccase, produced as a recombinant protein in Aspergillus oryzae, was purified to an electrophoretically homogeneous state and employed in studies on the metabolism of bisphenol A. Structural analysis of the bisphenol A reaction products by the enzyme indicated that the dimer, trimer, tetramer, pentamer, and hexamer of bisphenol A with CC and/or CO bonds between phenol moieties, were formed as the result of successive oxidative‐condensation. The reaction mixture also contained oligomers fragments, each with phenol molecules, suggesting the occurrence of cleavage of the formed oligomers to release 4‐isopropenylphenol. A luciferase reporter assay using COS‐7 cells revealed that both the soluble and insoluble fractions of the bisphenol A reaction products had no estrogenic activity even at rather high concentrations. Copyright © 2004 Society of Chemical Industry