bluuebunny/crossref_metadata_2025 huggingface dataset:
Acceleration of Suzuki–Miyaura‐ and Stille‐type Coupling Reactions by Irradiation with Near‐UV‐A Light
Authors: Imperato Giovanni , König Burkhard
Published: November 2008

Irradiation of a palladium catalyst bearing UV‐A‐absorbing phosphine ligands with low‐intensity UV‐A light leads to higher conversions of reactants at lower temperatures and an increased selectivity towards the cross‐coupling product in Suzuki–Miyaura‐ and Stille‐type reactions. The examples studied illustrate that a selective energy input into the catalyst by irradiation leads to more selective conversions under milder reaction conditions. With the availability of affordable and energy‐efficient UV‐A LED light sources, selective heating of the catalyst by light can be envisaged as a general strategy to increase the performance of a catalyst.
Gaussian pulse approximation using standard CMOS and its application for sub‐GHz UWB impulse radio
Authors: Zhang Xiaodong , Elgamel Mohamed , Bayoumi Magdy A.
Published: November 2008

Gaussian pulse is widely used in communication systems. The true Gaussian function is not physically realizable, but it can be approximated through linear functions. This paper presents a Gaussian pulse approximation approach to generate a quasi‐Gaussian pulse by using the transient response of a CMOS inverter. The basic structure of the proposed design includes a digital variable square pulse generator, a Gaussian pulse generator and a small antenna model. The digital variable square pulse generator makes the amplitude and width of the generated quasi‐Gaussian pulse tunable. The proposed pulse generator works well for three different electrical small antenna models. The simulation results show that the generated pulse approximates the Gaussian shape very well and the radiated signal at the antennas is compliant with the Federal Communication Commission's spectral mask for the 0–960 MHz band. The simple structure of this Gaussian pulse generator lends itself to a low‐power, single‐chip UWB transceiver solution. Copyright © 2008 John Wiley & Sons, Ltd.
A new affordable flow cytometry based method to measure HIV‐1 viral load
Authors: Greve Burkhard , Weidner Jürgen , Cassens Uwe , Odaibo Georgina , Olaleye David , Sibrowski Walter , Reichelt Doris , Nasdala Ines , Göhde Wolfgang
Published: November 2008

Most commercially available assays for diagnosis of HIV infection have shown shortcomings in the detection and quantification of rare genotypes of the virus. Most of the assays do not detect subtype O (outlier) and/or N (nonmajor, nonoutlier) or new circulating recombinant forms (CRFs), which are becoming more important in sub‐Saharan Africa. Furthermore, the commonly available tests require costly measuring devices and expensive test kits, which are not easily affordable for developing countries. This study was designed to explore solutions to the problem of viral load assays in developing countries. Two forward primers, digoxygenin (DIG) and dinitrophenol (DNP) labeled, and one biotin (BIO) labeled reverse primer were used to amplify both, the HIV‐1‐5′LTR (long terminal repeat) region and an internal standard sequence. The two polymerase chain reaction (PCR)‐products were captured by anti‐DIG and anti‐DNP antibody coated microparticles. Flow cytometric analyses were carried out after labeling with streptavidin‐R‐phycoerythrine. The primer system used recognized all HIV‐1 subtypes. A coamplified internal standard warranted the functionality of the PCR and allows reproducible viral load measurements. Two drawbacks of current viral load measurements are overcome by the flow cytometry based test described hereof. First, all known worldwide relevant HIV‐1 subtypes including subtypes O, N, and new CRFs are quantifiable with high sensitivity (50 to >1 × 106 copies per PCR). Second, the cost per test can be reduced to less than 12 US$ instead of the current 50–100 US$. Additionally, the test described in this report offers the possibility to perform complete monitoring program (CD4 T‐cell count, CD4% and viral load) for the first time, with the same device for HIV‐infected persons. © 2008 International Society for Advancement of Cytometry
Quantitative measurement of multifunctional quantum dot binding to cellular targets using flow cytometry
Authors: Smith R. A. , Giorgio T. D.
Published: November 2008

Semiconductor nanocrystals such as quantum dots (QDs) are a potentially powerful resource in the fields of flow cytometry and fluorescence microscopy. QD size and fluorescence characteristics offer attractive features for use in targeted delivery systems and detection by flow cytometry. While quantitative measurements of a variety of fluorescent molecules are routinely performed, fluorophores for which no calibration standards exist, such as QDs, pose a problem for quantitation in flow cytometry. Our goal was to develop a targeted nanoparticle delivery platform as well as a corresponding method to accurately and quantitatively assess the performance of this system. We synthesized surface‐modified QD probes targeted to cellular surface receptors and measured the MFI of the resulting cell‐probe conjugates by flow cytometry. MFI was converted to mean equivalent R‐PE intensity (MEPE) using standard calibration microspheres. Known concentrations of both R‐PE and QD probes were measured by fluorometry to relate R‐PE and QD fluorescence. Fluorometry results were then used to translate MEPE measurements to the number of bound QD probes. The targeted probes exhibited superior binding characteristics over unmodified and untargeted particles. This binding interaction was shown to be specific and mediated by the NGR targeting peptide tethered to the QD surface. The calibration method developed to assess this system proved successful at converting raw fluorescence data to quantitative probe binding values. We demonstrate the synthesis and performance of a highly modular nanoparticle system capable of targeted binding and fluorescent imaging. The calibration method implemented to quantify the performance of this system represents a potentially powerful tool to utilize truly quantitative flow cytometry measurements with an array of fluorescent molecules, including QDs. © 2008 International Society for Advancement of Cytometry
The development and evolution of left‐right asymmetry in invertebrates: Lessons from Drosophila and snails
Authors: Okumura Takashi , Utsuno Hiroki , Kuroda Junpei , Gittenberger Edmund , Asami Takahiro , Matsuno Kenji
Published: November 2008

The unique nature of body handedness, which is distinct from the anteroposterior and dorsoventral polarities, has been attracting growing interest in diverse biological disciplines. Recent research progress on the left‐right asymmetry of animal development has focused new attention on the mechanisms underlying the development and evolution of invertebrate handedness. This exploratory review of currently available information illuminates the prospective value of Drosophila and pulmonate snails for innovative new research aimed at elucidating these mechanisms. For example, findings in Drosophila and snails suggest that an actin filament–dependent mechanism may be evolutionarily conserved in protostomes. The polarity conservation of primary asymmetry across most metazoan phyla, which visceral handedness represents, indicates developmental constraint and purifying selection as possible but unexplored mechanisms. Comparative studies using Drosophila and snails, which have the great advantages of using genetic and evolutionary approaches, will accelerate our understanding of the mechanisms governing the conservation and diversity of animal handedness. Developmental Dynamics 237:3497–3515, 2008. © 2008 Wiley‐Liss, Inc.
pMesogenin1 and 2 function directly downstream of Xtbx6 in Xenopus somitogenesis and myogenesis
Authors: Tazumi Shunsuke , Yabe Shigeharu , Yokoyama Jun , Aihara Yuko , Uchiyama Hideho
Published: November 2008

T‐box transcription factor tbx6 and basic‐helix‐loop‐helix transcription factor pMesogenin1 are reported to be involved in paraxial mesodermal differentiation. To clarify the relationship between these genes in Xenopus laevis, we isolated pMesogenin2, which showed high homology with pMesogenin1. Both pMesogenin1 and 2 appeared to be transcriptional activators and were induced by a hormone‐inducible version of Xtbx6 without secondary protein synthesis in animal cap assays. The pMesogenin2 promoter contained three potential T‐box binding sites with which Xtbx6 protein was shown to interact, and a reporter gene construct containing these sites was activated by Xtbx6. Xtbx6 knockdown reduced pMesogenin1 and 2 expressions, but not vice versa. Xtbx6 and pMesogenin1 and 2 knockdowns caused similar phenotypic abnormalities including somite malformation and ventral body wall muscle hypoplasia, suggesting that Xtbx6 is a direct regulator of pMesogenin1 and 2, which are both involved in somitogenesis and myogenesis including that of body wall muscle in Xenopus laevis. Developmental Dynamics 237:3749–3761, 2008. © 2008 Wiley‐Liss, Inc.
Retinoid regulation of the zebrafish cyp26a1 promoter
Authors: Hu Ping , Tian Miao , Bao Jie , Xing Guangdong , Gu Xingxing , Gao Xiang , Linney Elwood , Zhao Qingshun
Published: November 2008

Cyp26A1 is a major enzyme that controls retinoic acid (RA) homeostasis by metabolizing RA into bio‐inactive metabolites. Previous research revealed that the mouse Cyp26A1 promoter has two canonical RA response elements (RAREs) that underlie the regulation of the gene by RA. Analyzing the 2,533‐base pairs (2.5 k) genomic sequence upstream of zebrafish cyp26a1 start codon, we report that the two RAREs are conserved in zebrafish cyp26a1 promoter. Mutagenesis demonstrated that the two RAREs work synergistically in RA inducibility of cyp26a1. Fusing the 2.5 k (kilobase pairs) fragment to the enhanced yellow fluorescent protein (eYFP) reporter gene, we have generated two transgenic lines of zebrafish [Tg(cyp26a1:eYFP)]. The transgenic zebrafish display expression patterns similar to that of cyp26a1 gene in vivo. Consistent with the in vitro results, the reporter activity is RA inducible in embryos. Taken together, our results demonstrate that the 2.5 k fragment underlies the regulation of the zebrafish cyp26a1 gene by RA. Developmental Dynamics 237:3798–3808, 2008. © 2008 Wiley‐Liss, Inc.
Integrin alpha chains exhibit distinct temporal and spatial localization patterns in epithelial cells of the Drosophila ovary
Authors: Dinkins Michael B. , Fratto Victoria M. , LeMosy Ellen K.
Published: November 2008

Integrins are heterodimeric transmembrane receptors that modulate cell adhesion, migration, and signaling. Multiple integrin chains contribute to development and morphogenesis of a given tissue. Here, we analyze the expression of Drosophila integrin alpha chains in the ovarian follicular epithelium, a model for tissue morphogenesis and cell migration. We find expression throughout development of the beta chain, βPS. Alpha chains, however, exhibit both spatial and temporal expression differences. αPS1 and αPS2 integrins are detected during early and mid‐oogenesis on apical, lateral, and basal membranes with the βPS chain, whereas αPS3‐family integrins (αPS3, αPS4, αPS5) are expressed in anterior cells late in oogenesis. Surprisingly, we find that αPS3‐family integrins are dispensable for dorsal appendage morphogenesis but play a role in the final length of the egg, suggesting redundant functions of integrins in a simple tissue. We also demonstrate roles for αPS3βPS integrin in border cell migration and in stretch cells. Developmental Dynamics 237:3927–3939, 2008. © 2008 Wiley‐Liss, Inc.
Identification of nucleus pulposus precursor cells and notochordal remnants in the mouse: Implications for disk degeneration and chordoma formation
Authors: Choi Kyung‐Suk , Cohn Martin J. , Harfe Brian D.
Published: November 2008

A classically identified “notochordal” cell population in the nucleus pulposus is thought to regulate disk homeostasis. However, the embryonic origin of these cells has been under dispute for >60 years. Here we provide the first direct evidence that all cell types in the adult mouse nucleus pulposus are derived from the embryonic notochord. Additionally, rare isolated embryonic notochord cells remained in the vertebral column and resembled “notochordal remnants,” which in humans have been proposed to give rise to a rare type of late‐onset cancer called chordoma. Previously, this cell type had not been identified in the mouse model system. The development and characterization of a mouse model that can be used to fate map nucleus pulposus precursor cells in any mutant background will be useful for uncovering the cellular and molecular mechanisms of disk degeneration. In addition, the identification of notochordal remnants in mice is the first step towards generating an in vivo model of chordoma. Developmental Dynamics 237:3953–3958, 2008. © 2008 Wiley‐Liss, Inc.
Isolation and expression analysis of Alzheimer's disease–related gene xb51 in zebrafish
Authors: Kim Hyun‐Taek , Kim Eun‐Hye , Yoo Kyeong‐Won , Lee Mi‐Sun , Choi Jung‐Hwa , Park Hae‐Chul , Yeo Sang‐Yeob , Lee Dong‐Seok , Kim Cheol‐Hee
Published: November 2008

XB51 protein is known to interact with the amino‐terminal of the X11L protein and to be involved in Aβ40 generation, a hallmark of Alzheimer's disease. In this study, we isolated a zebrafish xb51 homologue and analyzed its spatio‐temporal expression pattern during early brain development. The xb51 transcript was first detected in the forebrain at 22 hr post‐fertilization. Expression of xb51 in the brain persisted by 36 hpf and became more complex in the brain after 48 hpf. The detailed expression domain of xb51 in the dorsal telencephalon was defined by several molecular markers: emx1, dlx2, lim1, islet1, neurod4/zath3, ngn1, her4, and elavl3/huC. The location of xb51‐expressing cells was restricted in a subset of cells positive for elavl3/huC and acetylated alpha‐tubulin, markers of differentiating and/or differentiated neurons. Together, these results suggest that xb51 may be required for maturation and maintenance of xb51‐expressing neurons in the forebrain. Developmental Dynamics 237:3921–3926, 2008. © 2008 Wiley‐Liss, Inc.
Can we apply the dual‐pathway model of overeating to a population of weight‐preoccupied overweight women?
Authors: Gagnon‐Girouard Marie‐Pierre , Bégin Catherine , Provencher Véronique , Tremblay Angelo , Boivin Sonia , Lemieux Simone
Published: November 2008

Objective:

The aim of the study is to verifythe applicability of the dual‐pathwaymodel among weight‐preoccupied overweight women and to document the restraint pathway, the negative affect pathway, and the possibility of a direct pathway from body dissatisfaction to overeating.

Method:

Structural equations were performed to test the model on baseline data of 153 weight‐preoccupied overweight women recruited to participate in a randomized trial.

Results:

Findings suggest that the model obtains satisfactory fit. Although the restraint pathway is partially supported, the negative affect pathway is confirmed. A third pathway linking directly body dissatisfaction to overeating is also evidenced.

Discussion:

The dual‐pathway model of overeating seems to be representative of the reality of weight‐preoccupied overweight women, which could be pointed as a population in need of clinical attention, particularly considering the dramatically increasing rates of obesity. © 2008 by Wiley Periodicals, Inc. Int J Eat Disord 2009
Implementing the EU Water Framework Directive – prospects for sustainable water planning in Sweden
Authors: Hedelin Beatrice , Lindh Magnus
Published: November 2008

Implementation of the EU Water Framework Directive will significantly affect the way in which water issues in Europe are managed. Here, a set of criteria for processes for sustainable river basin planning is used as a basis for analysing how the responsible planners in one EU member state – Sweden – carry out the work prescribed by the WFD. The paper is based on 13 interviews with water planners and directors. The current processes represent progress in relation to the situation pertaining before implementation; e.g., participation and collaboration are increasingly becoming pivotal, knowledge of the natural water state is increasing and the economy of water is emerging as a new and important issue. The interviews do however show that knowledge of how to work with values and how to create forms and methods of participation and collaboration remain clearly underdeveloped. In consequence, the main objectives behind participation – the provision of knowledge and perspectives for the process and the creation of legitimacy, acceptance or engagement – are actually at risk. Recommendations include complementing the existing knowledge base with insights from the social sciences and the humanities, to create well informed learning systems within the new water administration and to make use of alternative methods for the handling of values. The Swedish case may provide useful insights for other member states. Copyright © 2008 John Wiley & Sons, Ltd and ERP Environment.
Hydrothermal Synthesis of Three‐Dimensional Hierarchical CuO Butterfly‐Like Architectures
Authors: Zhang Yajing , Or Siu Wing , Wang Xiaolei , Cui Tieyu , Cui Weibin , Zhang Ying , Zhang Zhidong
Published: November 2008

Uniform 3D hierarchical CuO butterfly‐like architectures were fabricated by a surfactant‐assisted hydrothermal oriented attachment route. This route included the formation of CuO butterfly‐like architectures in a solution of cupric chloride (CuCl2·2H2O) and sodium hydroxide (NaOH) at 100 °C for 15 h by using sodium dodecyl benzenesulfonate (SDBS) as surfactant. The as‐prepared CuO architecture was characterized by X‐ray diffraction, scanning electron microscopy and transmission electron microscopy. The CuO butterfly‐like architectures, with lengths of about 6 μm and widths of 2–4 μm, were assembled from several tens of oriented attachment rhombic nanosheets with a thickness of about 60 nm. A growth mechanism for the formation of the CuO butterfly‐like architectures was proposed on the basis of time‐dependent experiments. The synthetic parameters such as reaction temperature, the concentration of sodium hydroxide and reaction time all affected the morphology of the CuO architectures. The synthetic strategy could be extended to assemble 3D architectures of other materials.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Paracyclophanes: Extending the Bridges. Synthesis
Authors: Pechlivanidis Zissis , Hopf Henning , Ernst Ludger
Published: November 2008

Preparatively satisfactory routes to [3.2]paracyclophane (10), [4.2]paracyclophane (14), [4.3]paracyclophane (19) as well as several derivatives of these compounds – among others the bromides 25, the ester 31, the diesters 40–43 – are described using well‐established methods of cyclophane chemistry (ring‐closure reactions leading to thiacyclophanes, ring contraction by sulfone pyrolysis). The parent systems and their derivatives are now available in gram quantities allowing a study of their chemical properties.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Efficient and Stereodivergent Syntheses of D‐ and L‐Fagomines and Their Analogues
Authors: Kumari Nitee , Reddy B. Gopal , Vankar Yashwant D.
Published: November 2008

The syntheses of D‐ and L‐fagomines 1, 4, 5 and 6 and their isomers from starting D‐glycals have been achieved. The syntheses involve elaboration of common amino alcohol precursors obtained from 2‐deoxy‐1‐amino sugar derivatives. The key steps in the syntheses are intramolecular reductive amination and intramolecular N‐heterocyclization. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Palladium‐Catalyzed Coupling Reactions of Diarylvinylidenecyclopropanes with 2‐Iodophenol and N‐(2‐Iodophenyl)‐4‐methylbenzenesulfonamide
Authors: Li Wei , Shi Min
Published: November 2008

A palladium‐catalyzed cross‐coupling reaction of diarylvinylidenecyclopropanes with 2‐iodophenol and N‐(2‐iodophenyl)‐4‐methylbenzenesulfonamide provided a variety of cyclopropane‐containing 2,2‐diaryl‐3‐tetramethylcyclopropylidene‐2,3‐dihydrobenzofuran and 2,2‐diaryl‐3‐tetramethylcyclopropylidene‐1‐(toluene‐4‐sulfonyl)‐2,3‐dihydro‐1H‐indole derivatives in moderate‐to‐good yields.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
A Novel Approach to Combretastatins: From trans‐Epoxide to CA‐4 and Its Dioxolane Derivative
Authors: Lupattelli Paolo , D'Auria Maurizio , Di Blasio Nadia , Lenti Francesca
Published: November 2008

The trans‐epoxide derivative of Combretastatin A‐4 wasstereoselectively prepared in good yield by sulfur ylide mediated epoxidation of silyl‐protected isovanillin. From this key intermediate, a formal synthesis of CA‐4, by stereoselective deoxygenation and photoisomerization, was achieved. Alternatively, a trans‐dioxolane derivative was obtained bystereoselective acetone insertion.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
MicroRNA-101 regulates expression of the v-fos FBJ murine osteosarcoma viral oncogene homolog (FOS) oncogene in human hepatocellular carcinoma #
Authors: Li Shuai , Fu Hanjiang , Wang Yulan , Tie Yi , Xing Ruiyun , Zhu Jie , Sun Zhixian , Wei Lixin , Zheng Xiaofei
Published: November 2008

MicroRNAs (miRNAs) have recently been proposed as a versatile class of molecules involved in regulation of various biological processes. Although there is emerging evidence that some microRNAs can function as oncogenes or tumor suppressors, the specific role of miRNA in human hepatocellular carcinoma (HCC) is unclear at this point. In this study, we examined the microRNA expression profiles in a set of 20 human HCC specimens by miRNA microarray and quantitative real-time polymerase chain reaction. The results showed that among the 20 HCC samples analyzed, microRNA-101 was significantly down-regulated twofold or more (twofold to 20-fold) in 16 samples compared with the matching nontumoral liver tissues. Using both a luciferase reporter assay and Western blot analysis, we showed that microRNA-101 repressed the expression of v-fos FBJ murine osteosarcoma viral oncogene homolog (FOS) oncogene, a key component of the activator protein-1 (AP-1) transcription factor. Moreover, using a luciferase expression vector (pAP-1-Luc) driven by seven copies of an AP-1 cis-element, we observed that microRNA-101 expression inhibited phorbol 12-myristate 13-acetate (PMA)–induced AP-1 activity. In in vitro Matrigel invasion and Transwell migration assays, enhanced microRNA-101 expression inhibited the invasion and migration of cultured HCC cells, respectively. These findings suggest that microRNA-101 may play an important role in HCC. Conclusion: MicroRNA-101, which is aberrantly expressed in HCC, could repress the expression of the FOS oncogene. (Hepatology 2009.)
Beneficial effects of sorafenib on splanchnic, intrahepatic, and portocollateral circulations in portal hypertensive and cirrhotic rats #
Authors: Mejias Marc , Garcia-Pras Ester , Tiani Carolina , Miquel Rosa , Bosch Jaime , Fernandez Mercedes
Published: November 2008

Portal hypertension, the most important complication in patients with cirrhosis of the liver, is a serious and life-threatening disease for which there are few therapeutic options. Because angiogenesis is a pathological hallmark of portal hypertension, the goal of this study was to determine the effects of sorafenib—a potent inhibitor of proangiogenic vascular endothelial growth factor receptor 2 (VEGFR-2), platelet-derived growth factor receptor β (PDGFR-β), and Raf kinases—on splanchnic, intrahepatic, systemic, and portosystemic collateral circulations in two different experimental models of portal hypertension: rats with prehepatic portal hypertension induced by partial portal vein ligation and rats with intrahepatic portal hypertension and secondary biliary cirrhosis induced by bile duct ligation. Such a comprehensive approach is necessary for any translational research directed toward defining the efficacy and potential clinical application of new therapeutic agents. Sorafenib administered orally once a day for 2 weeks in experimental models of portal hypertension and cirrhosis effectively inhibited VEGF, PDGF, and Raf signaling pathways, and produced several protective effects by inducing an approximately 80% decrease in splanchnic neovascularization and a marked attenuation of hyperdynamic splanchnic and systemic circulations, as well as a significant 18% decrease in the extent of portosystemic collaterals. In cirrhotic rats, sorafenib treatment also resulted in a 25% reduction in portal pressure, as well as a remarkable improvement in liver damage and intrahepatic fibrosis, inflammation, and angiogenesis. Notably, beneficial effects of sorafenib against tissue damage and inflammation were also observed in splanchnic organs. Conclusion: Taking into account the limitations of translating animal study results into humans, we believe that our findings will stimulate consideration of sorafenib as an effective therapeutic agent in patients suffering from advanced portal hypertension. (Hepatology 2009.)
Evaluation and prediction of on‐line maintenance workload in nuclear power plants
Authors: Liang Guo‐Feng , Lin Jhih‐Tsong , Hwang Sheue‐Ling , Huang Fei‐hui , Yenn Tzu‐Chung , Hsu Chong‐Cheng
Published: November 2008

This study evaluates engineers' mental workload while maintaining digital systems in nuclear power plants (NPPs). First, according to the factors affecting the mental workload, a questionnaire was designed to evaluate the mental workload of maintenance engineers at the Second NPP in Taiwan. Then 16 maintenance engineers from the Second NPP participated in the experiment survey. The results indicated that the mental workload was lower in maintaining digital systems than that in analog systems. Finally, a mental workload model based on the neural network technique was established to predict the mental workload of maintenance engineers in maintaining digital systems. Through predicting mental workload, the manager can organize the human resources for each daily task to sustain the appropriate mental workload as well as improve maintenance performance. © 2008 Wiley Periodicals, Inc.
Interesting properties of Thomas–Fermi kinetic and Parr electron–electron‐repulsion DFT energy functional generated compact one‐electron density approximation for ground‐state electronic energy of molecular systems
Authors: Kristyan Sandor
Published: November 2008

The reduction of the electronic Schrodinger equation or its calculating algorithm from 4N‐dimensions to a (nonlinear, approximate) density functional of three spatial dimension one‐electron density for an N‐electron system, which is tractable in the practice, is a long desired goal in electronic structure calculation. If the Thomas‐Fermi kinetic energy (∼∫ρ5/3dr1) and Parr electron–electron repulsion energy (∼∫ρ4/3dr1) main‐term functionals are accepted, and they should, the later described, compact one‐electron density approximation for calculating ground state electronic energy from the 2nd Hohenberg–Kohn theorem is also noticeable, because it is a certain consequence of the aforementioned two basic functionals. Its two parameters have been fitted to neutral and ionic atoms, which are transferable to molecules when one uses it for estimating ground‐state electronic energy. The convergence is proportional to the number of nuclei (M) needing low disc space usage and numerical integration. Its properties are discussed and compared with known ab initio methods, and for energy differences (here atomic ionization potentials) it is comparable or sometimes gives better result than those. It does not reach the chemical accuracy for total electronic energy, but beside its amusing simplicity, it is interesting in theoretical point of view, and can serve as generator function for more accurate one‐electron density models. © 2008 Wiley Periodicals, Inc. J Comput Chem 2009
Modeling the H bond donor strength of OH, NH, and CH sites by local molecular parameters
Authors: Schwöbel Johannes , Ebert Ralf‐Uwe , Kühne Ralph , Schüürmann Gerrit
Published: November 2008

A quantum chemical model is introduced to predict the H‐bond donor strength of monofunctional organic compounds from their ground‐state electronic properties. The model covers OH, NH, and CH as H‐bond donor sites and was calibrated with experimental values for the Abraham H‐bond donor strength parameterAusing theab initioand density functional theory levels HF/6‐31G** and B3LYP/6‐31G**. Starting with the Morokuma analysis of hydrogen bonding, the electrostatic (ES), polarizability (PL), and charge transfer (CT) components were quantified employing local molecular parameters. With hydrogen net atomic charges calculated from both natural population analysis and the ES potential scheme, the ES term turned out to provide only marginal contributions to the Abraham parameterA, except for weak hydrogen bonds associated with acidic CH sites. Accordingly,Ais governed by PL and CT contributions. The PL component was characterized through a new measure of the local molecular hardness at hydrogen, η(H), which in turn was quantified through empirically defined site‐specific effective donor and acceptor energies,EEoccandEEvac. The latter parameter was also used to address the CT contribution toA. With an initial training set of 77 compounds, HF/6‐31G** yielded a squared correlation coefficient,r2, of 0.91. Essentially identical statistics were achieved for a separate test set of 429 compounds and for the recalibrated model when using all 506 compounds. B3LYP/6‐31G** yielded slightly inferior statistics. The discussion includes subset statistics for compounds containing OH, NH, and active CH sites and a nonlinear model extension with slightly improved statistics (r2= 0.92). © 2008 Wiley Periodicals, Inc. J Comput Chem 2009
MicroRNAs: Novel Regulators During the Immune Response
Authors: Bi Yujing , Liu Guangwei , Yang Ruifu
Published: November 2008

MicroRNAs (miRNAs), an abundant class of highly conversed, small noncoding RNAs, present an entirely new way of post‐transcriptional gene regulation. miRNAs play a key role in diverse biological processes, such as embryogenesis, differentiation, inflammation, viral infections, and carcinogenesis. Recently, more studies showed the importance of these noncoding small RNAs on immune system development and response, and miRNAs are found to involve in the regulation of immunity, including the development and differentiation of immnue cells, antibody production and the inflammatory mediator release. Here, the latest findings were summarized to explore the function and mechanism of miRNAs in modulating innate and adaptive immune responses. J. Cell. Physiol. 218: 467–472, 2009. © 2008 Wiley‐Liss, Inc.
Novel caffeic acid ester derivative induces apoptosis by expressing fasl and downregulating NF‐KappaB: Potentiation of cell death mediated by chemotherapeutic agents
Authors: Bose Julie S. , Gangan Vijay , Jain Swatantra K. , Manna Sunil K.
Published: November 2008

In the present study, we demonstrate the biological activity of esterified caffeic acid with methyl vanillate also termed as caffeic acid methyl vanillate ester (CAMVE). CAMVE potentiates TNF‐induced cell death as analyzed by cell viability assay and blocks inflammatory stimuli‐induced nuclear transcription factor kappaB (NF‐κB) activation and NF‐κB‐dependent genes expression. CAMVE‐mediated inhibition of NF‐κB or induction of cell death is not cell type specific. CAMVE inhibits cell proliferation by inhibiting G1 to S phase progression. It suppresses TNF‐induced Bcl‐2 expression and potentiates chemotherapeutic agents‐mediated cell death. CAMVE enhances intracellular free Ca2+ and thereby activates calcineurin. Calcineurin, in turns, activates nuclear transcription factor NF‐AT and its dependent genes such as FasL, which induces cell death. The data demonstrate that CAMVE is one of the combinatorial products, which is able to inhibit NF‐κB regulated genes and cell proliferation. The combinatorial synthesis of novel caffeic ester derivatives can be a useful approach to generate potent chemotherapeutic agents and designing CAMVE as potent therapeutic agent for combination therapy may be useful to treat tumors. J. Cell. Physiol. 218: 653–662, 2009. © 2008 Wiley‐Liss, Inc.
Unusual sonographic appearance of synovial sarcoma of the anterior abdominal wall
Authors: Kishino Tomonori , Morii Takeshi , Mochizuki Kazuo , Sudo Emi , Hirano Kazuhiko , Okazaki Mitsuhiro , Ohtsuka Kouki , Ohnishi Hiroaki , Kurihara Shuichi , Tsuneyoshi Masazumi , Fujioka Yasunori , Watanabe Takashi
Published: November 2008

We report a case of synovial sarcoma in a 58‐year‐old woman arising from the anterior abdominal wall. Sonography demonstrated a large mass with an unusual complex “honeycomb” echotexture. Doppler imaging displayed increased vascularity in the solid parts of the tumor. © 2008 Wiley Periodicals, Inc. J Clin Ultrasound, 2009
The role of transformational leadership, emotional intelligence, and group cohesiveness on leadership emergence
Authors: López‐Zafra Esther , Garcia‐Retamero Rocio , Landa José M. Augusto
Published: November 2008

The concept of emotional intelligence and its connections with other important psychological constructs have been the focus of a wide range of current research (see Mestre & Fernández‐Berrocal, 2007, and Salovey, Woolery, & Mayer, 2001, for reviews). Yet the relationship between emotional intelligence and transformational leadership, a leadership style that is highly correlated with efficiency and satisfaction of the leaders' followers, has scarcely been analyzed. We hypothesize that individuals who score high in emotional intelligence emerge as leaders more easily than low‐emotional‐intelligence individuals due to the fact that they are more transformational in their leadership style. We further suggest that this is especially the case in highly cohesive groups. In this study, we test these ideas and find empirical support for our hypotheses.
Hydroxycarbonyl anion (m/z 45), a diagnostic marker for α‐hydroxy carboxylic acids
Authors: Bialecki Jason B. , Axe Frank U. , Attygalle Athula B.
Published: November 2008

Collision‐induced dissociation mass spectra of anions derived from α‐hydroxy carboxylic acids (AHAs) show a diagnostic peak at m/z 45. Product ion spectra recorded from this m/z 45 ion confirm that it represents the hydroxycarbonyl anion (magnified image), and not the formate anion (magnified image) as sometimes described in the literature. For example, the formate anion is not only defiant to further fragmentation but is also unreactive toward CO2. In contrast, the hydroxycarbonyl anion easily fragments to produce a peak at m/z 17 for the hydroxyl anion, and also readily reacts with CO2 to produce a peak at m/z 61 for the bicarbonate anion. The hydrogen atom in the hydroxycarbonyl anion and that in the formate anion are not mobile within the skeletal framework of the ions, since the two ions did not manifest any interconversion under the conditions and time scales of our mass spectrometric experiments. The other significant product ion peak in the spectra of deprotonated AHAs represents a 46‐Da loss. MS/MS data from appropriately deuteriated compounds confirmed that one hydrogen atom from the C‐2 position, and the other from the hydroxy group are specifically removed for this loss of elements of formic acid. Moreover, the two oxygen atoms eliminated for the HCOOH loss originate exclusively from the carboxylate group. Copyright © 2008 John Wiley & Sons, Ltd.
Study of binding affinity and selectivity of perylene and coronene derivatives towards duplex and quadruplex DNA by ESI‐MS
Authors: Casagrande Valentina , Alvino Antonello , Bianco Armandodoriano , Ortaggi Giancarlo , Franceschin Marco
Published: November 2008

In this paper, we report an extensive electrospray ionization mass spectrometry (ESI‐MS) study of the noncovalent interactions between different intermolecular and intramolecular G‐quadruplex structures and several perylene and coronene ligands. The selectivity of these compounds toward quadruplex structures with respect to duplex DNA, a fundamental topic for the biological evaluation and the pharmacological application of these ligands as potential chemotherapeutic agents, has also been investigated. After exploring this topic according to the classical approach based on the very simple duplex model of an autocomplementary dodecamer, we extended our analysis reporting for the first time a competition ESI‐MS experiment in the presence of genomic DNA fragments. Whereas those ligands showing a high level of selectivity between quadruplex and duplex oligonucleotides, in terms of binding constants and percentage of bound DNA, confirmed their selectivity in the competition experiment, the contrary was not always true: some ligands showing poor selectivity with the autocomplementary dodecamer resulted selective in the presence of genomic DNA fragments. This result suggests that physiologically nonrelevant interactions are possible with a short duplex oligonucleotide. This means that the dodecamer can fail in representing a biologically significant structural model, or, better, that it can be used to quickly screen potentially selective molecules, but bearing in mind the high probability of false negative results. Copyright © 2008 John Wiley & Sons, Ltd.
Patient and tumor factors at diagnosis in a multi‐ethnic primary head and neck squamous cell carcinoma cohort
Authors: Sethi Seema , Lu Mei , Kapke Alissa , Benninger Michael S , Worsham Maria J
Published: November 2008

Background

A long‐term objective is to refine patient diagnosis and prognosis to address heterogeneity in head and neck squamous cell carcinoma (HNSCC) through incorporation of patient and tumor factors. This study examined histopathology and demographic variables at primary diagnosis (early vs. late stage) in a HNSCC patient population with a higher than usual percentage of African American (AA) subjects.

Methods

The primary HNSCC cohort was drawn from a diverse patient population and constructed through re‐review of the primary biopsy. Nine specific histopathology and patient factors (race, gender, age) at primary HNSCC diagnosis were evaluated. Logistic regression analyses incorporated univariate and multivariable modeling.

Results

Race, gender, pattern of invasion, tumor necrosis, perineural invasion, site, and tumor grade were included in the first multivariable model. The final multivariable model retained gender, race, grade, site, and perineural invasion as independent risk factors for late stage with goodness‐of‐fit, the area under the curve (AUC), as 0.691.

Conclusions

This report emphasizes patient and tumor characteristics of race, gender, site, perineural invasion, grade, and pattern of invasion as independent factors of advanced stage HNSCC. Pattern of invasion and necrosis are also important tumor characteristics of late stage disease. These factors may offer clinical perspectives when evaluating patients with indeterminate stage. J. Surg. Oncol. 2009;99: 104–108. © 2008 Wiley‐Liss, Inc.
Stable transgene expression in human embryonic stem cells after simple chemical transfection
Authors: Liu Jun , Jones Karen L. , Sumer Huseyin , Verma Paul J.
Published: November 2008

In this study we used plasmid‐based vectors to investigate the transcriptional activities of three commonly used promoters in transient and stable transfection of MEL‐1, a human embryonic stem (ES) cell line, using ExGen500, Fugene HD, and Lipofectamine. We demonstrated that cytomegalovirus (CMV), phosphoglycerate kinase (PGK) and human elongation factor‐1α (EF1α) promoters all resulted in robust activity of a reporter gene in MEL‐1 ES cell transient transfections regardless of the transfection reagent. Stable transfection outcomes varied, depending on the promoter and the transfection reagent used in the study. The phenomenon of transgene silencing was observed, most notably with the CMV vector, with which no positive stably transfected clones were obtained. Of the methods used in the study, Fugene HD resulted in the highest stable transfection rate, estimated by antibiotic selection, with plasmids containing genes under the control of the EF1α or PGK promoters. Stably transfected cells maintained typical hES cell morphology, with immunostaining exhibiting expression of the hES cell markers: Oct4, SSEA4, Tra‐1‐60, and Tra‐1‐81. Further, embryoid bodies formed by suspension culture retained reporter gene expression. Following injection into immunodeficient mice, the transfected cell lines showed robust formation of teratomas with cell types representative of the three germ layers. Mol. Reprod. Dev. 76: 580–586, 2009. © 2008 Wiley‐Liss, Inc.
Bearing capacity factor Nc under ϕ=0 condition for piles in clays
Authors: Khatri Vishwas N. , Kumar Jyant
Published: November 2008

Bearing capacity factor Nc for axially loaded piles in clays whose cohesion increases linearly with depth has been estimated numerically under undrained (ϕ=0) condition. The study follows the lower bound limit analysis in conjunction with finite elements and linear programming. A new formulation is proposed for solving an axisymmetric geotechnical stability problem. The variation of Nc with embedment ratio is obtained for several rates of the increase of soil cohesion with depth; a special case is also examined when the pile base was placed on the stiff clay stratum overlaid by a soft clay layer. It was noticed that the magnitude of Nc reaches almost a constant value for embedment ratio greater than unity. The roughness of the pile base and shaft affects marginally the magnitudes of Nc. The results obtained from the present study are found to compare quite well with the different numerical solutions reported in the literature. Copyright © 2008 John Wiley & Sons, Ltd.
The effect of bladder outlet obstruction on α1‐ and β‐adrenoceptor expression and function
Authors: Barendrecht Maurits M. , Frazier Elfaridah P. , Vrydag Wim , Alewijnse Astrid E. , Peters Stephan L.M. , Michel Martin C.
Published: November 2008

Aims

To explore possible changes in expression and/or function of α1‐ and β‐adrenoceptor subtypes as a cause for bladder dysfunction in a rat model of bladder outlet obstruction (BOO).

Methods

BOO was induced in rats by partial urethral ligature. Contraction and relaxation experiments were performed with isolated bladder strips from BOO, sham‐operated and non‐operated (control) rats 7 days after BOO induction. mRNA expression of α1‐ and β‐adrenoceptor subtypes was assessed by quantitative real‐time PCR.

Results

Receptor‐independent contraction or relaxation did not differ between BOO and sham rats. The α1‐agonists methoxamine and A‐61,603 caused only weak contraction without major differences between groups. Against KCl‐induced tone, the β‐adrenoceptor agonists noradrenaline and isoprenaline caused similar relaxation in BOO and sham rats, whereas relaxation in response to the β3‐selective BRL 37,344 was attenuated. Against passive tension, noradrenaline induced relaxation in sham and control rats; in contrast, noradrenaline induced contraction at low concentrations and relaxation at high concentrations in BOO rats. The contraction component was abolished by the α1‐antagonist prazosin. The mRNA expression of α1D‐adrenoceptors was increased in BOO, whereas none of the other receptor mRNAs were up‐regulated.

Conclusions

In a rat BOO model, weak contraction responses to α1‐agonists and relaxation responses to β‐agonists are not altered to a major extent. Nevertheless, relaxation responses to the endogenous agonist noradrenaline are turned into α1‐adrenoceptor‐mediated contraction responses in BOO, possibly due to an up‐regulation of α1D‐adrenoceptors. Neurourol. Urodynam. 28:349–355, 2009. © 2008 Wiley‐Liss, Inc.
Effect of paramagnetic manganese cations on 1H MRS of the brain
Authors: Madsen Kathrine Skak , Holm David Alberg , Søgaard Lise Vejby , Rowland Ian J.
Published: November 2008

Manganese cations (Mn2+) can be used as an intracellular contrast agent for structural, functional and neural pathway imaging applications. However, at high concentrations, Mn2+ is neurotoxic and may influence the concentration of 1H MR‐detectable metabolites. Furthermore, the paramagnetic Mn2+ cations may also influence the relaxation of the metabolites under investigation. Consequently, the purpose of this study was to investigate the effect of paramagnetic Mn2+ cations on 1H‐MR spectra of the brain using in vivo and phantom models at 4.7 T. To investigate the direct paramagnetic effects of Mn2+ cations on the relaxation of N‐acetylaspartate (NAA), creatine and choline, T1 relaxation times of metabolite solutions, with and without 5% albumin, and containing different Mn2+ concentrations were determined. Relaxivity values with/without 5% albumin for NAA (4.8/28.1 s−1 mM−1), creatine (2.8/2.8 s−1 mM−1) and choline (1.8/1.1 s−1 mM−1) showed NAA to be the most sensitive metabolite to the relaxation effects of the cations. Using an in vivo optic tract tracing imaging model, we obtained two adjacent regions of interest in the superior colliculi with different water T1 values (Mn2+‐enhanced = 1.01 s; unenhanced = 1.14 s) 24 h after intravitreal injection of 3 µL 50 mM MnCl2. Using phantom and in vivo water relaxation time data, we estimated the in vivo Mn2+ concentration to be 2–8 µM. The phantom data suggest that limited metabolite relaxation effects would be expected at this concentration. Consequently, this study indicates that, in this model, the presence of Mn2+ cations does not significantly affect 1H‐MR spectra despite possible toxic and paramagnetic effects. Copyright © 2008 John Wiley & Sons, Ltd.
An optimal‐order estimate for MMOC‐MFEM approximations to porous medium flow
Authors: Wang Kaixin
Published: November 2008

Mathematical models used to describe porous medium flow lead to coupled systems of time‐dependent partial differential equations. Standard methods tend to generate numerical solutions with nonphysical oscillations or numerical dispersion along with spurious grid‐orientation effect. The MMOC‐MFEM time‐stepping procedure, in which the modified method of characteristics (MMOC) is used to solve the transport equation and a mixed finite element method (MFEM) is used for the pressure equation, simulates porous medium flow accurately even if large spatial grids and time steps are used. In this article we prove an optimal‐order error estimate for a family of MMOC‐MFEM approximations. © 2008 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2009
Characterization of twin‐screw‐extruder‐compounded polycarbonate nanoclay composites
Authors: Nevalainen Katja , Vuorinen Jyrki , Villman Vesa , Suihkonen Reija , Järvelä Pentti , Sundelin Janne , Lepistö Toivo
Published: November 2008

Polycarbonate nanocomposites were prepared by melt processing from two surface‐modified montmorillonite organoclays. The intercalation spacing and degree of the dispersion were characterized with wide‐angle X‐ray diffraction and transmission electron microscopy, respectively. The polycarbonate nancomposites showed rather good dispersion of nanoclay, with a mixture of exfoliated, intercalated, and confined morphology. The effect of nanoclay on the mechanical response of specimens subjected to tensile and impact loading was investigated. Results demonstrated that nanocomposites based on nanoclay possess increased Young's modulus and yield strength. However, their ductility upon tensile loading is significantly affected. A transition from ductile to brittle deformation occurs at studied clay loadings. Notched impact strength experiments supported this, showing that impact strength decreases significantly as nanoclay content increases from 1 to 5 wt%, regardless how the nanoclay surface was modified. Thermal analysis demonstrated that addition of nanoclay leads to decreased thermal stability of polycarbonate suggesting, enhanced dynamics of polymer chains. Finally, the tribological properties of selected specimens were evaluated using a pin‐on‐disc, and the effect of nanoclay fillers on tribological properties is discussed. POLYM. ENG. SCI., 2009. © 2008 Society of Plastics Engineers