bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigations of the posttranslational mechanism of arsenite‐mediated downregulation of human cytochrome P4501A1 levels: The role of heme oxygenase‐1
Authors: Bessette Erin E. , Fasco Michael J. , Pentecost Brian T. , Reilly Andrew , Kaminsky Laurence S. 
Published: June 2009

AbstractArsenite, an environmental cocontaminant of polycyclic aromatic hydrocarbons (PAHs), diminishes the PAH‐mediated upregulation of human CYP1A1, the enzyme that bioactivates PAHs to carcinogenic metabolites. Mechanistically, while transcriptional downregulation contributes to these effects, a role for posttranslational regulation has been implicated but not proven. We hypothesize that arsenite induces heme oxygenase‐1 (HO‐1), which catabolizes CYP1A1 heme or cellular heme pools, thereby downregulating CYP1A1. Arsenite (5 µM), in HepG2 cells, induced HO‐1 mRNA 7.4‐fold over the 48 h observation period, and it upregulated HO‐1 protein expression. Arsenite decreased the induction of CYP1A1 by a PAH, benzo[k]fluoranthene (BKF), by 50%; and transfection of HepG2 cells with siRNA targeting the human HO‐1 gene, reduced the arsenite downregulation of BKF‐induced CYP1A1 from 54% to 27%, relative to untransfected cells. Reconstituted HO‐1 did not significantly catabolize CYP1A1 heme in vitro. Together these findings demonstrate that a posttranslational mechanism involving decreases in the cellular heme pool by arsenite‐induced HO‐1 may contribute to arsenite‐mediated downregulation of CYP1A1. © 2009 Wiley Periodicals, Inc. J Biochem Mol Toxicol 23:222–232, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/jbt.20283
The Met protooncogene is a transcriptional target of NFkappaB: Implications for cell survival
Authors: Dai James Y. , DeFrances Marie C. , Zou Chunbin , Johnson Carla J. , Zarnegar Reza 
Published: June 2009

AbstractNFkappaB transcription factor regulates gene expression in response to extracellular stimuli such as TNF alpha. The genes regulated by NFkappaB encode for proteins which control cell growth and survival. Met is the tyrosine kinase receptor for hepatocyte growth factor, and it too promotes cell mitogenesis and survival. Previously, we showed that Met gene expression is regulated by TNF alpha. In this report, we identify and characterize a TNF alpha response element in the Met promoter. This element contains tandem C/EBP sites adjacent to an NFkappaB site. Binding of the NFkappaB p65 subunit and C/EBP beta to this element is induced by TNF alpha. To examine the interplay of NFkappaB and Met in vivo, we determined that Met mRNA and protein levels are reduced in the livers of p65−/− mice as compared to controls. In p65−/− mouse embryonic fibroblasts (MEFs), Met induction by TNF alpha is abrogated while Met's basal gene expression is reduced by half as compared to controls. When overexpressed in p65−/− MEFs, Met confers resistance to TNF‐alpha‐mediated cell death. Conversely, expression of dominant negative Met in wild‐type MEFs renders them sensitive to cell death induced by TNF alpha. A similar response following TNF alpha challenge was observed in hepatocytic cells treated with siRNA to knockdown endogenous Met. Together, these results indicate that the Met gene is a direct target of NFkappaB and that Met participates in NFkappaB‐mediated cell survival. J. Cell. Biochem. 107: 1222–1236, 2009. © 2009 Wiley‐Liss, Inc.
Synchrotron X‐ray imaging reveals a correlation of tumor copper speciation with Clioquinol's anticancer activity
Authors: Barrea Raul A. , Chen Di , Irving Thomas C. , Dou Q. Ping 
Published: June 2009

AbstractTumor development and metastasis depend on angiogenesis that requires certain growth factors, proteases, and the trace element copper (Cu). Recent studies suggest that Cu could be used as a novel target for cancer therapies. Clioquinol (CQ), an antibiotic that is able to form stable complexes with Cu or zinc (Zn), has shown proteasome‐inhibitory, androgen receptor‐suppressing, apoptosis‐inducing, and antitumor activities in human cancer cells and xenografts. The mechanisms underlying the interaction of CQ with cellular Cu, the alteration of the Cu/Zn ratio and the antitumor role of CQ in vivo have not been fully elucidated. We report here that Cu accumulates in tumor tissue and that the Cu/Zn balances in tumor, but not normal, tissue change significantly after the treatment with CQ. Cu speciation analysis showed that the Cu(I) species is predominant in both normal and tumor tissues and that Cu(II) content was significantly increased in tumor, but not normal tissue after CQ treatment. Our findings indicate that CQ can interact with cellular Cu in vivo, dysregulates the Cu/Zn balance and is able to convert Cu(I) to Cu(II) in tumor tissue. This conversion of Cu(I) to Cu(II) may be associated with CQ‐induced proteasome inhibition and growth suppression in the human prostate tumor xenografts. J. Cell. Biochem. 108: 96–105, 2009. © 2009 Wiley‐Liss, Inc.
Ginsenoside Rg1 protects rat cardiomyocyte from hypoxia/reoxygenation oxidative injury via antioxidant and intracellular calcium homeostasis
Authors: Zhu Dan , Wu Lei , Li Chun‐Rong , Wang Xiao‐Wei , Ma Yong‐Jie , Zhong Zhi‐yin , Zhao Hai‐Bao , Cui Jian , Xun Si‐Fan , Huang Xiu‐Lan , Zhou Zhe , Wang Sheng‐Qi 
Published: June 2009

AbstractGinsenoside Rg1 is a major active ingredient ofPanax notoginseng radixwhich has demonstrated a number of pharmacological actions including a cardioprotective effect in vivo. This study investigated the protective effect and mechanism of ginsenoside Rg1 in cardiomyocytes hypoxia/reoxygenation (H/R) model. Pretreatment with ginsenoside Rg1 (60–120 µM) reduced lactate dehydrogenase release and increased cell viability in a dose‐dependent manner. Fluorescence analysis demonstrated ginsenoside Rg1 reduced intracellular ROS and suppressed the intracellular [Ca2+] level. Cell lysate detected an increase of T‐SOD, CAT, and GSH levels. The myocardial protection of ginsenoside Rg1 during H/R is partially due to its antioxidative effect and intracellular calcium homeostasis. J. Cell. Biochem. 108: 117–124, 2009. © 2009 Wiley‐Liss, Inc.
Rate coefficients for the reaction of OH with CF3CH2CH3 (HFC‐263fb) between 200 and 400 K: Ab initio, DFT, and transition state theory calculations
Authors: Ali Mohamad Akbar , Rajakumar B. 
Published: June 2009

AbstractRate coefficients for the reaction of the hydroxyl radical with CF3CH2CH3 (HFC‐263fb) were computed using ab initio methods, viz. MP2, G3MP2, and G3B3 theories between 200 and 400 K. Structures of the reactants in the ground state (GS) and transition state (TS) were optimized at MP2(FULL)/6‐31G*, MP2(FULL)/6‐311+ +G**, and B3LYP/6‐31G* level of theories. Seven TSs were identified for the title reaction in the above theories. However, five out of seven TSs were found to be symmetrically distinct. The kinetic parameters due to these five different TSs are presented in this manuscript. Intrinsic reaction coordinate (IRC) calculations were performed to confirm the existence of transition states. The contributions of all the individual hydrogens in the substrate for the reaction are estimated and compared with the results obtained using Structure Additivity Relationships. The rate coefficients for the title reaction were computed to be k = (7.96 ± 0.93) × 10−13 exp [−(2245 ± 30)/T] cm3 molecule−1 s−1 at MP2, k = (9.50 ± 0.93) × 10−13 exp [−(1162 ± 30)/T] cm3 molecule−1 s−1 at G3MP2, and k = (7.01 ± 0.88) × 10−13 exp [−(753 ± 35)/T] cm3 molecule−1 s−1at G3B3 theories. The theoretically computed rate coefficients are found to be in excellent agreement with the experimentally determined ones. The OH‐driven atmospheric lifetimes of this compound are computed to be 132, 2.2, and 0.7 years at, MP2, G3MP2, and G3B3 level of theories, respectively. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
The use of time‐averaged 3JHH restrained molecular dynamics (tar‐MD) simulations for the conformational analysis of five‐membered ring systems: Methodology and applications
Authors: Hendrickx Pieter M. S. , Corzana Francisco , Depraetere Stefaan , Tourwé Dirk A. , Augustyns Koen , Martins José C. 
Published: June 2009

AbstractBecause of its presence in many molecules of biological relevance, the conformational analysis of five‐membered rings using 3JHH scalar coupling data from NMR is a topic of considerable interest. Typically, conformational analysis involves the use of a well‐established mathematical procedure, originally developed by de Leeuw et al., that fits two rigid conformations to the available experimental data. This so‐called pseudorotation analysis approach is not without problems, however, as chemically unrealistic conformations are sometimes generated from the data. Here, we present our investigations in the use of time‐averaged restrained molecular dynamics simulations as a generic tool to determine the conformations that agree with experimental 3JHH scalar coupling data. For this purpose, a set of six ribose‐based molecules has been used as model compounds. The influence of several modeling parameters is assessed and optimized values are proposed. The results obtained with the tar‐MD approach are compared to those obtained from the two conformer fitting procedure. Interpretation of the latter is facilitated by the introduction of a fitting error analysis that allows mapping the solution space of the fitting procedure. The relative merits of both methods and the advantages that result from the use of a force field and a time‐averaged restraint potential for the experimental data are discussed. When combined, both techniques allow an enhanced understanding of the molecules' conformational behavior and prevent possible overinterpretation. In view of the very reasonable computational burden of a tar‐MD simulation for the systems investigated here, the approach should be generally applicable. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
Polarized basis sets for accurate calculations of static and dynamic electric properties of molecules
Authors: Baranowska Angelika , Sadlej Andrzej J. 
Published: June 2009

AbstractWe report on the development and testing of large polarized basis sets (LPolX, where X is the element symbol) for accurate calculations of linear and nonlinear electric properties of molecules. The method used to generate LPolX sets is based on our studies of the analytic dependence of Gaussian functions on external time‐independent and time‐dependent electric fields. At variance with the earlier investigations of small, highly compact (ZPolX) basis sets for moderately accurate calculations of electric properties of large molecules, the present goal is to obtain basis sets that are nearly saturated with respect to the selected class of electric properties and can be used for accurate studies of interaction‐induced properties. This saturation makes the LPolX sets also useful in calculations of optical properties for chiral molecules. In this article, the LPolX sets are generated for X = H, C, N, O, and F, and examined in calculations of linear and nonlinear electric properties of four standard test systems: HF, N2, CO, and HCN. The study of the performance of LPolX basis sets has been carried out at different levels of approximation ranging from the SCF HF method to highly correlated CCSD(T) approach. The results obtained in this study compare favorably with accurate reference data and show a high level of saturation of LPolX basis sets with respect to the polarization effect due to external electric fields. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
Novel dimer based descriptors with solvational computation for QSAR study of oxadiazoylbenzoyl‐ureas as novel insect‐growth regulators
Authors: Fan Feng , Cheng Jiagao , Li Zhong , Xu Xiaoyong , Qian Xuhong 
Published: June 2009

AbstractMolecular aggregation state of bioactive compounds plays a key role in its bio‐interactive procedure. In this article, based on the structure information of dimers, the simplest model of molecular aggregation state, and combined with solvational computation, total four descriptors (ΔV, MR2, ΔE1, and ΔE2) were calculated for QSAR study of a novel insect‐growth regulator, N‐(5‐phenyl‐1,3,4‐oxadiazol‐2‐yl)‐N′‐benzoyl urea. Two QSAR models were constructed with r2 = 0.671, q2 = 0.516 and r2 = 0.816, q2 = 0.695, respectively. It implicates that the bioactivity may strongly depend on the characters of molecular aggregation state, especially on the dimeric transport ability from oil phase to water phase. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
A new strategy of outlier detection for QSAR/QSPR
Authors: Cao Dong‐Sheng , Liang Yi‐Zeng , Xu Qing‐Song , Li Hong‐Dong , Chen Xian 
Published: June 2009

AbstractThe crucial step of building a high performance QSAR/QSPR model is the detection of outliers in the model. Detecting outliers in a multivariate point cloud is not trivial, especially when several outliers coexist in the model. The classical identification methods do not always identify them, because they are based on the sample mean and covariance matrix influenced by the outliers. Moreover, existing methods only lay stress on some type of outliers but not all the outliers. To avoid these problems and detect all kinds of outliers simultaneously, we provide a new strategy based on Monte‐Carlo cross‐validation, which was termed as the MC method. The MC method inherently provides a feasible way to detect different kinds of outliers by establishment of many cross‐predictive models. With the help of the distribution of predictive residuals such obtained, it seems to be able to reduce the risk caused by the masking effect. In addition, a new display is proposed, in which the absolute values of mean value of predictive residuals are plotted versus standard deviations of predictive residuals. The plot divides the data into normal samples,ydirection outliers andXdirection outliers. Several examples are used to demonstrate the detection ability of MC method through the comparison of different diagnostic methods. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
CANADA: Designing nucleic acid sequences for nanobiotechnology applications
Authors: Feldkamp Udo 
Published: June 2009

AbstractThe design of nucleic acid sequences for a highly specific and efficient hybridization is a crucial step in DNA computing and DNA‐based nanotechnology applications. The CANADA package contains software tools for designing DNA sequences that meet these and other requirements, as well as for analyzing and handling sequences. CANADA is freely available, including a detailed manual and example input files, at http://ls11‐www.cs.uni‐dortmund.de/molcomp/downloads. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
Cycle decompositions of complete multigraphs
Authors: Smith Benjamin R. 
Published: June 2009

AbstractIn this paper we establish necessary and sufficient conditions for decomposing the complete multigraph λKn into cycles of length λ, and the λ‐fold complete symmetric digraph λK into directed cycles of length λ. As a corollary to these results we obtain necessary and sufficient conditions for decomposing λKn (respectively, λK) into cycles (respectively, directed cycles) of prime length. © 2009 Wiley Periodicals, Inc. J Combin Designs 18: 85–93, 2010
Partnering with families: multiple family group psychoeducation for schizophrenia
Authors: Jewell Thomas C. , Downing Donna , McFarlane William R. 
Published: June 2009

AbstractFamily psychoeducation (FPE) is one of six evidence‐based practices endorsed by the Center for Mental Health Services for individuals suffering from chronic mental illnesses. Multiple family group psychoeducation (MFG) has been shown to be an effective component of FPE in reducing symptom relapses and rehospitalizations for individuals with schizophrenia. It is especially effective when family members participate on a consistent basis, which allows them to increase their understanding of the biology of the disorder, learn ways to be supportive, reduce stress in the environment and in their own lives, and develop a broader social network. When used in conjunction with medication, MFG can help an individual with schizophrenia progress towards the rehabilitation phase of recovery. A case illustration describes the engagement of a chronically ill, mid‐thirties male in MFG and how his family's participation for 2 years benefits all members, in spite of the longevity of his illness. © 2009 Wiley Periodicals, Inc. J Clin Psychol: In Session 65: 868–878, 2009.
Involvement of ATM‐mediated Chk1/2 and JNK kinase signaling activation in HKH40A‐induced cell growth inhibition
Authors: Wang Ziqiu , Wang Meifang , Kar Sid , Carr Brian I. 
Published: June 2009

AbstractHKH40A (RTA 502), or 5‐nitro‐2‐(3‐{4‐[3‐(8‐methoxy‐6‐oxo‐6H‐2,10b‐diaza‐aceanthrylen‐5‐ylamino)propyl]piperazin‐1‐yl}‐propyl)‐2‐aza‐phenalene‐1,3‐dione, has been shown to be a potent cell growth inhibitor. To investigate HKH40A actions, we focused on exploring the signal transduction pathways that are involved in its cell growth inhibitory mechanisms. We found that HKH40A activated ataxia telangiectasia mutated (ATM) kinase, which then triggered activation of the Chk1/2 signaling pathway, evidenced by Chk1/2 mediated inhibitory phosphorylation of Cdc25C protein phosphatase. This resulted in Cdk1 tyrosine phosphorylation at Tyr‐15, leading to cell cycle block at G2/M phase. HKH40A also activated the c‐Jun N‐terminal kinase (JNK) pathway, most likely regulated by ATM kinase, since pre‐treatment of Hep3B cells with ATM inhibitor KU‐55933 or ATM siRNA transfection antagonized HKH40A‐induced c‐Jun phosphorylation. HKH40A‐induced apoptosis was probably mediated by JNK–H2A.X interaction, since phospho‐c‐Jun and phospho‐H2A.X were able to co‐localize in the nucleus and to co‐immuno‐precipitate. Furthermore, inhibition of JNK kinase activity by JNK inhibitor SP600125 abolished both HKH40A‐induced H2A.X phosphorylation and apoptosis. Our data support the hypothesis that binding of HKH40A to cellular DNA likely activates ATM kinase, which then induces parallel Chk 1/2 and JNK signaling pathways, leading to G2/M cell cycle block and apoptosis. J. Cell. Physiol. 221: 213–220, 2009. © 2009 Wiley‐Liss, Inc
Profile of exosomes related proteins released by differentiated and undifferentiated human keratinocytes
Authors: Chavez‐Muñoz Claudia , Kilani Ruhangiz T. , Ghahary Aziz 
Published: June 2009

AbstractOur group has previously demonstrated the capacity of human keratinocytes to release 14‐3‐3σ into conditioned medium through the mechanism of exosome externalization. In this study the release of other proteins through the same mechanism and the differences in the profiles of 14‐3‐3 proteins between differentiated (diff‐K) and undifferentiated keratinocytes (undiff‐K) were investigated. The stimulatory effect of other 14‐3‐3 isoforms on the expression of MMP‐1 in dermal fibroblasts was also evaluated. Exosomes isolated from undiff‐K (low Ca2+) and diff‐K (high Ca2+) were subjected to proteomic and Western blot analysis. The results showed that more than 50 different cytoplasmic proteins including all seven 14‐3‐3 protein isoforms (β, σ, η, ε, τ, ζ, and γ) were released from diff‐K through the mechanism of exosome externalization. However, in exosomes of undiff‐K only four of the 14‐3‐3 protein isoforms (β, η, ζ, and γ) were detected. Ca2+ treatment increased the release of exosomes from undiff‐K by at least two times relative to the control. Consistent with this finding, the stimulatory effect of exosomes containing 14‐3‐3σ from diff‐K had higher MMP‐1 stimulatory effect in fibroblasts relative to those exosomes isolated from undiff‐K. MMP‐1 stimulatory effect of recombinant 14‐3‐3β and η, tested in this study, in dermal fibroblasts, suggests additional anti‐fibrogenic factors other than 14‐3‐3σ. In conclusion, keratinocytes release many proteins through the mechanism of exosome externalization from which some such as 14‐3‐3 isoforms may function as extracellular matrix (ECM) modulating factors for dermal fibroblasts. These findings revealed the presence of a novel mechanism by which keratinocytes can potentially interact with fibroblasts. J. Cell. Physiol. 221: 221–231, 2009. © 2009 Wiley‐Liss, Inc
IGF‐1 released by corneal epithelial cells induces up‐regulation of N‐cadherin in corneal fibroblasts
Authors: Ko Ji‐Ae , Yanai Ryoji , Nishida Teruo 
Published: June 2009

AbstractInteractions between epithelial cells and fibroblasts play important roles in tissue homeostasis. With the use of a coculture system in which human corneal fibroblasts and epithelial cells are cultured on opposite sides of a collagen (vitrigel) membrane, we have examined the effects of epithelial cells on expression of the adherens‐junction protein N‐cadherin in fibroblasts. Reverse transcription‐polymerase chain reaction and immunoblot analyses showed that the presence of epithelial cells increased the expression of N‐cadherin in fibroblasts at the mRNA and protein levels. This effect of epithelial cells was mimicked by insulin‐like growth factor‐1 (IGF‐1) but not by epidermal growth factor or fibroblast growth factor. Depletion of IGF‐1 in epithelial cells by RNA interference abolished the effect of these cells on N‐cadherin expression in fibroblasts. The presence of epithelial cells activated the IGF‐1 receptor as well as up‐regulated expression of the transcriptional regulator ZEB1 in fibroblasts. RNA interference‐mediated depletion of IGF‐1 in epithelial cells prevented the effect of these cells on ZEB1 expression in fibroblasts. These results suggest that IGF‐1 released from corneal epithelial cells up‐regulates the expression of N‐cadherin in corneal fibroblasts. J. Cell. Physiol. 221: 254–261, 2009. © 2009 Wiley‐Liss, Inc
Effects of di(2‐ethylhexyl) phthalate on gap and tight junction protein expression in the testis of prepubertal rats
Authors: Sobarzo Cristian M. , Lustig Livia , Ponzio Roberto , Suescun María Olga , Denduchis Berta 
Published: June 2009

AbstractThe aim of this study was to analyze whether di(2‐ethylhexyl) phthalate (DEHP), a Sertoli and Leydig cell toxicant, is able to induce alterations in the expression of testicular gap and tight junction proteins. DEHP was administered by gavage (1 g/5 mL corn oil/kg body weight/day) to 25‐day‐old male Sprague–Dawley rats for 2 days (DEHP‐27d) and control rats were treated with corn‐oil vehicle for 2 days (C‐27d); animals were killed 24 h after the last treatment. Testes of DEHP‐27d rats showed different degrees of germ cell sloughing of seminiferous tubules (ST). No alterations of the blood testis barrier (BTB) by lanthanum tracer study were observed. ST of DEHP‐27d rats showed a milder immunofluorescence and more restricted expression of connexin‐43 (Cx43) in the adluminal and basal compartment compared to C‐27d. In DEHP‐27d rats, we found a discontinuous immunofluorescent (IF) pattern for zonula occludens (ZO‐1), contrasting with the continuous IF profile observed in C‐27d, and a delocalization of claudin‐11. A decrease in Cx43 and ZO‐1 and no changes in occludin expression were detected by Western blot in the testes of DEHP‐27d rats. Results from 57‐day‐old rats treated with DEHP for 2 days and held for 30 days without treatment showed that the alterations in protein expression induced by DEHP are reversible. However, a delay of spermatogenesis compared to C‐57d rats, occurred. Data demonstrated that DEHP does not impair BTB permeability but induces germ cell sloughing that might respond to a down regulation of Cx43 and ZO‐1 that alters cell junction proteins. Microsc. Res. Tech. 2009. © 2009 Wiley‐Liss, Inc.