bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Novel Approach for the Desalination of Seawater by Means of Reusable Poly(acrylic acid) Hydrogels and Mechanical Force
Authors: Höpfner Johannes , Klein Christopher , Wilhelm Manfred 
Published: May 2010

AbstractDesalination of a sodium chloride solution is achieved by the incorporation of salt depleted water into an acrylic acid based hydrogel and the subsequent deswelling of the gel by mechanical force to gain water with a lower salt content. This is a new approach towards the problem of desalination of seawater that has, to the best of our knowledge, not been presented before. In a proof‐of‐principle experiment the salt content of a 10 g/L NaCl solution could be reduced by 35% in one cycle. The influence of main chemical parameters, e.g. degree of crosslinking, degree of neutralization and experimental parameters like particle size and salt concentration on the desalination process are examined. Possible optimum conditions for the desalination using a poly(acrylic acid) network are discussed and the construction of a simple apparatus for deswelling by mechanical force is described.magnified image
Betulin induces mitochondrial cytochrome c release associated apoptosis in human cancer cells
Authors: Li Yang , He Kan , Huang Yinghui , Zheng Daxin , Gao Chang , Cui Lin , Jin Ying‐Hua 
Published: May 2010

AbstractWe examined whether betulin, a naturally abundant compound, has anticancer functions in human cancer cells. The results showed that betulin significantly inhibited cell viability in cervix carcinoma HeLa cells, hepatoma HepG2 cells, lung adenocarcinoma A549 cells, and breast cancer MCF‐7 cells with IC50 values ranging from 10 to 15 µg/mL. While betulin exhibited only moderate anticancer activity in other human cancer cells such as hepatoma SK‐HEP‐1 cells, prostate carcinoma PC‐3, and lung carcinoma NCI‐H460, with IC50 values ranging from 20 to 60 µg/mL, it showed minor growth inhibition in human erythroleukemia K562 cells (IC50 > 100 µg/mL). We further investigated the mechanism of anticancer activity by betulin, using HeLa cells as an experimental model. Betulin (10 µg/mL) induces apoptotic cell death, as evidenced by morphological characteristics such as membrane phosphatidylserine translocation, nuclear condensation/fragmentation, and apoptotic body formation. A kinetics analysis showed that the depolarization of mitochondrial membrane potential and the release of mitochondrial cytochrome c occurred as early as 30 min after treatment with betulin. Betulin, unlike its chemical derivative betulinic acid, did not directly trigger mitochondrial cytochrome c release in isolated mitochondria. Importantly, Bax and Bak were rapidly translocated to the mitochondria 30 min after betulin treatment. The sequential activation of caspase‐9 and caspase‐3/‐7 and the cleavage of poly(ADP‐ribose) polymerase (PARP) were observed behind those mitochondrial events. Furthermore, specific downregulation of either caspase‐9, Bax, or Bak by siRNA effectively reduced PARP cleavage and caspase‐3 activation. Taken together, the lines of evidence demonstrate that betulin triggers apoptosis of human cancer cells through the intrinsic apoptotic pathway. © 2010 Wiley‐Liss, Inc.
Adipokine regulation of colon cancer: Adiponectin attenuates interleukin‐6‐induced colon carcinoma cell proliferation via STAT‐3
Authors: Fenton Jenifer I. , Birmingham Janette M. 
Published: May 2010

AbstractObesity results in increased circulating levels of specific adipokines, which are associated with colon cancer risk. The disease state is associated with increased leptin, insulin, IGF‐1, and IL‐6. Conversely, adiponectin levels are decreased in obese individuals. Previously, we demonstrated adipokine‐enhanced cell proliferation in preneoplastic, but not normal, colon epithelial cells, demonstrating a differential effect of adipokines on colon cancer progression in vitro. Using a model of late stage carcinoma cancer cell, namely murine MC‐38 colon carcinoma cells, we compared the effect of obesity‐associated adipokines (leptin, insulin, IGF‐1, and IL‐6) on MC‐38 cell proliferation and determined whether adiponectin (full length or globular) could modulate adipokine‐induced cell proliferation. We show that insulin and IL‐6, but not leptin and IGF‐1, induce proliferation in MC‐38 cells. Adiponectin treatment of MC‐38 cells did not inhibit insulin‐induced cell proliferation but did inhibit IL‐6‐induced cell proliferation by decreasing STAT‐3 phosphorylation and activation. Nitric oxide (NO) production was increased in MC‐38 cells treated with IL‐6; co‐treatment with adiponectin blocked IL‐6‐induced iNOS and subsequent NO production. These data are compared to previously reported findings from our laboratory using the YAMC (model normal colon epithelial cells) and IMCE (model preneoplastic) cells. The cell lines are utilized to construct a model summarizing the hormonal consequences of obesity and the impact on the differential regulation of colon epithelial cells along the continuum to carcinoma. These data, taken together, highlight mechanisms involved in obesity‐associated cancers and may lead to potential‐targeted therapies. © 2010 Wiley‐Liss, Inc.
Modelling a slow smoldering combustion process
Authors: Fasano A. , Mimura M. , Primicerio M. 
Published: May 2010

AbstractWe present a mathematical model for the slow and partial combustion process of a sheet of paper ignited on one side and in the presence of a flow of air confined in a narrow gap above the paper. The model includes mass and thermal balance for the various components. After having introduced some simplifications, a suitable rescaling is performed and some limit cases are examined. Two classes of travelling wave solutions are analyzed, corresponding to the opposite cases of a sufficiently large or of a moderate air flow. Copyright © 2010 John Wiley & Sons, Ltd.
Effects of nanotalc inclusion on mechanical, microstructural, melt shear rheological, and crystallization behavior of polyamide 6‐based binary and ternary nanocomposites
Authors: Balamurugan G. Prasath , Maiti S.N. 
Published: May 2010

AbstractThe objective of the study is to investigate the effect of inclusion of nanotalc on the strength properties of polyamide 6 (PA6)‐based binary and ternary nanocomposites. Binary nanocomposites were prepared by melt compounding of PA6 with varying content of nanotalc (1, 2, and 4 wt%). Ternary nanocomposites were prepared by melt compounding of compatibilized blend of PA 6 and ethylene‐co‐butyl acrylate (EBA elastomer) with varying content of nanotalc (1, 2, and 4 wt%). Both the binary and ternary nanocomposites registered a very high improvement in the strength/stiffness‐related properties at lower filler loading of 1 wt%. Phase morphology of the composites studied by SEM, TEM, and XRD revealed the formation of extended brane‐like structures and delaminated talc layers in the binary nanocomposites. The modulus predicted by Halpin‐Tsai and Mooney equation suggests that the composites retained a very good aspect ratio after melt mixing. Orientation effects of nanotalc enhanced the melt flow behavior in the composites. POLYM. ENG. SCI., 50:1978–1993, 2010. © 2010 Society of Plastics Engineers
Nanoclay‐reinforced, polypropylene‐based wood–plastic composites
Authors: Yeh Shu‐Kai , Gupta Rakesh K. 
Published: May 2010

AbstractWood plastic composites (WPCs) are a new class of materials which combine the characteristics of plastic and wood. In appearance, they are similar to wood, but the low stiffness of plastics makes the composite modulus significantly lower than that of solid wood. Increasing the wood content in the WPCs can improve stiffness, but the rate of water absorption also goes up. Here, nanoclay was compounded with wood and plastic using a twin screw extruder to form a three‐component composite to improve the stiffness of WPCs. To overcome the previously observed reduction in strength and increase in the rate of water absorption, different compounding procedures were used. It was found that pre‐compounding wood flour with polymer followed by incorporation of clay in a second step resulted in an increase in stiffness, retention in strength, and a reduction in the rate of water absorption. Thus, adding nanoclays is an alternative for increasing properties instead of adding extra wood flour to a concentration in excess of 55 wt% as this involves processing difficulties. POLYM. ENG. SCI., 50:2013–2020, 2010. © 2010 Society of Plastics Engineers
Study of monocyte membrane proteome perturbation during lipopolysaccharide‐induced tolerance using iTRAQ‐based quantitative proteomic approach
Authors: Zhang Huoming , Zhao Changqing , Li Xin , Zhu Yi , Gan Chee Sian , Wang Yong , Ravasi Timothy , Qian Pei‐Yuan , Wong Siew Cheng , Sze Siu Kwan 
Published: May 2010

AbstractHuman monocytes' exposure to low‐level lipopolysaccharide (LPS) induces temporary monocytic insensitivity to subsequent LPS challenge. The underlying mechanism of this phenomenon could have important clinical utilities in preventing and/or treating severe infections. In this study, we used an iTRAQ‐based quantitative proteomic approach to comprehensively characterize the membrane proteomes of monocytes before and after LPS exposure. We identified a total of 1651 proteins, of which 53.6% were membrane proteins. Ninety‐four percent of the proteins were quantified and 255 proteins were shown to be tightly regulated by LPS. Subcellular location analysis revealed organelle‐specific response to LPS exposure: more than 90% of identified mitochondrial membrane proteins were significant downregulated, whereas the majority of proteins from other organelles such as ER, Golgi and ribosome were upregulated. Moreover, we found that the expression of most receptors potentially involved in LPS signal pathway (CD14, toll‐like receptor 4, CD11/CD18 complex) were substantially decreased, while the expression of molecules involved in LPS neutralization were enhanced after LPS challenge. Together, these findings could be of significance in understanding the mechanism of LPS tolerance and provide values for designing new approaches for regulating monocytic responses in sepsis patients.
The Asia Oceania Human Proteome Organisation Membrane Proteomics Initiative. Preparation and characterisation of the carbonate‐washed membrane standard
Authors: Peng Lifeng , Kapp Eugene A. , Fenyö David , Kwon Min‐Seok , Jiang Pu , Wu Songfeng , Jiang Ying , Aguilar Marie‐Isabel , Ahmed Nikhat , Baker Mark S. , Cai Zongwei , Chen Yu‐Ju , Van Chi Phan , Chung Maxey C. M. , He Fuchu , Len Alice C. L. , Liao Pao‐Chi , Nakamura Kazuyuki , Ngai Sai Ming , Paik Young‐Ki , Pan Tai‐Long , Poon Terence C. W. , Hosseini Salekdeh Ghasem , Simpson Richard J. , Sirdeshmukh Ravi , Srisomsap Chantragan , Svasti Jisnuson , Tyan Yu‐Chang , Dreyer Florian S. , McLauchlan Danyl , Rawson Pisana , Jordan T. William 
Published: May 2010

AbstractThe Asia Oceania Human Proteome Organisation (AOHUPO) has embarked on a Membrane Proteomics Initiative with goals of systematic comparison of strategies for analysis of membrane proteomes and discovery of membrane proteins. This multilaboratory project is based on the analysis of a subcellular fraction from mouse liver that contains endoplasmic reticulum and other organelles. In this study, we present the strategy used for the preparation and initial characterization of the membrane sample, including validation that the carbonate‐washing step enriches for integral and lipid‐anchored membrane proteins. Analysis of 17 independent data sets from five types of proteomic workflows is in progress.
Reproducibility of the Physiological Cost Index among Individuals with a Lower‐Limb Amputation and Healthy Adults
Authors: Hagberg Kerstin , Tranberg Roy , Zügner Roland , Danielsson Anna 
Published: May 2010

AbstractBackground and Purpose. The physiological cost index (PCI) is a clinical measurement used to estimate the energy cost of walking. The reproducibility of the PCI has been questioned and no study has investigated the measurement error among individuals with a lower‐limb amputation. The aim was to investigate the test–retest reproducibility of the PCI in individuals with a lower‐limb amputation and healthy adults. Methods. The study comprised 28 individuals (20 males, eight females, mean age 49 years) with a unilateral amputation due to reasons other than vascular disease and 31 healthy volunteers (20 males, 11 females, mean age 47 years). PCI values were obtained by registering heart rate at rest and during level indoor walking for 5 minutes at a comfortable speed. A within‐day test–retest assessment was performed. Reproducibility analyses included intra‐class correlation, analyses of systematic differences between measurements, calculation of the smallest detectable change (SDC) and coefficient of variation (CV), and the results were finally visualized using Bland–Altman plots. Results. The reliability in terms of intra‐class correlation was excellent for both groups (0.966 and 0.948). In the amputee group, the PCI revealed a mean difference of 0.026 (p = 0.016) between tests (PCI = 0.555, standard deviation [SD] = 0.214 and PCI = 0.581, SD = 0.236, respectively). In the healthy group, there was no systematic difference between tests (PCI = 0.329, SD = 0.114 and PCI = 0.331, SD = 0.110, respectively). The SDC was 0.116 in the amputee group and 0.070 in the healthy group, giving a CV of 20.4% and 21.0%,respectively. Conclusions. The within‐day test–retest reproducibility of the PCI was excellent among individuals with lower‐limb amputations and healthy adults in terms of intra‐class correlation and acceptable in terms of agreement. The SDC, which was calculated for each group, should be considered when demonstrating an individual difference after an intervention. Copyright © 2010 John Wiley & Sons, Ltd.
Detection and refinement of encounter complexes for protein–protein docking: Taking account of macromolecular crowding
Authors: Li Xiaofan , Moal Iain H. , Bates Paul A. 
Published: May 2010

AbstractAnalysis of trajectories from our rigid‐body dynamics simulation package, BioSimz, is used to find regions on the surface of unbound proteins that form frequent and tenacious encounter complexes with their binding partner. Binding partners are significantly more likely to sojourn around true binding regions than around the remainder of the protein surface. This information is used to restrict the search space for flexible protein–protein docking using our SwarmDock algorithm, reducing the computational expense of docking, and improving or matching the ranking of successfully docked poses for all but four of 26 test cases. Running the simulations with external crowder proteins, at near physiological concentration, further enhances the binding region, compared to simulations without external crowders. Information gleaned from these simulations can give mechanistic insights into binding events. The application of these techniques to CAPRI targets 32 and 38–40 is discussed. Proteins 2010. © 2010 Wiley‐Liss, Inc.
Theoretical study of the interaction between C2H5OH and mordenite zeolite by periodic density functional theory method
Authors: Nguyen Ngoc Ha , Le Minh Cam 
Published: May 2010

AbstractThe interaction of a single ethanol with pure‐silica and acid mordenite (MOR) has been investigated using density functional theory. Different interaction modes have been studied for three acid sites. All initial structures have been optimized by minimizing the total energy with respect to all lattice parameters and to the atomic coordinates. The nature of the ethanol–acid site complex has been discussed in detail. The strength of the adsorption is directly correlated to the local structural distortion of the MOR framework, especially of the acid site. By using partial density of states method, a detail in the distribution of density of states (orbital) has been obtained. An analysis of the differential charges has been performed, indicating substantial polarization effects for the acid site and for the ethanol molecule as well. Finally, the red‐shift of the harmonic OH stretching frequencies due to the interaction has been estimated. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Quantum chemical studies on prototautomerism of 1H‐imidazo[4,5‐c]pyridine
Authors: Yurdakul Şenay , Badoğlu Serdar 
Published: May 2010

AbstractThe structural features of the 1H‐imidazo[4,5‐c]pyridine (ICPY) tautomers and homodimers of the most stable tautomers have been studied by quantum chemical methods. FTIR and Raman spectra of the ICPY were recorded in the range of 4000–60 cm−1 and 3500–5 cm−1. The predominant tautomer among four possible isomers of ICPY were determined. The optimized geometries and vibrational frequencies of possible ICPY tautomers and dimers were computed by B3LYP/DFT method with 6‐311++G(d,p) and 6‐31G(d) basis sets. All vibrational frequencies assigned in detail with the help of total energy distribution (TED) and isotopic shifts. ICPY dimeric forms were also characterized according to their hydrogen bonding interactions, and it has been found that the most stable ICPY homodimer establishes moderate strong NH…N type hydrogen bond. 1H NMR, 13C NMR, and 15N NMR properties have been calculated for all tautomeric forms using the gauge independent atomic orbital (GIAO) method. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
The complexant shape effect on first (hyper)polarizability of alkalides Li+(NH2CH3)4M− (M = Li, Na, and K)
Authors: Xu Hong‐Liang , Wang Fang‐Fang , Chen Wei , Yu Guang‐Tao 
Published: May 2010

AbstractIn our previous work, new alkalides Li+(calix [4]pyrrole)M− with cup‐like complexant have been reported for the large static first hyperpolarizabilities (β0) (Chen et al., J Am Chem Soc 2006, 128, 1072). In this work, new inorganic alkalides are found by using a more flexible complexant, methylamine (NH2CH3)4. The structures with all real frequencies and β0 values of the inorganic alkalides Li+(cage [4]methylamine)M− (M = Li, Na, and K) are obtained at MP2 level. The result shows that these inorganic alkalides have more considerable β0 values to be 18,825 (M = Li) < 27,942 (M = Na) < 81,094 au (M = K), which are more than two times larger than those (10,969 ∼ 35,934 au) of the reported alkalides Li+(calix [4]pyrrole)M−. To understand this structure–property relationship, two cup‐like Li+(NH2CH3)4M− (M = Li, Na, and K) models are designed to compare their β0 values. By comparing the β0 values among the cup‐like alkalides Li+(calix [4]pyrrole)M−, Li+(NH2CH3)4M−, and cage‐like alkalides Li+(cage [4]methylamine)M− (M = Li, Na, and K), the complexant shape effect of alkalides has been revealed. It is found that the complexant shape is an important factor in large β0 values. Moreover, the monotonic dependences of β0 on the Li–M distance and the NBO charges of cation (Li+) and anions (M−) in inorganic alkalides Li+(cage [4]methylamine)M− have been shown. In this work, the frequency dependent first (hyper)polarizabilities are also determined. It is found that both the frequency dispersion and the effects of the electron correlation are strong. Moreover, the dependence of both the static and frequency dependent β on the atomic number of alkali metal anions is similar. This work provides a new way to understand the nature of high‐performance nonlinear optical (NLO) materials, and it is helpful to design new NLO materials. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011.
Microscopic description of small doped 3He clusters through the full‐configuration‐interaction nuclear orbital approach: The (3He)N‐Br2(X) case revisited
Authors: De Lara Castells María Pilar , Villarreal Pablo , Delgado‐Barrio Gerardo , Mitrushchenkov Alexander O. 
Published: May 2010

AbstractWe have completed our previous study on small (3He)N‐Br2(X) clusters (de Lara‐Castells et al., J Chem Phys (Communication) 2006, 125, 221101) by using larger one‐particle basis sets and an enhanced implementation of the full‐configuration‐ interaction nuclear orbital treatment to calculate ground and excited “solvent” states of small doped 3HeN clusters (de Lara‐Castells et al., J Chem Phys 2009, 131, 194101). Because of the inherent hard‐core interaction problem owing to the strong He–He repulsive potential at short distances, very large one‐particle basis sets are necessary to get converged results. Very similar results to those found for clusters with Cl2(B) as the dopant species have been found, owing more to the rather similar anisotropic T‐shaped character of the used He‐dopant potential energy surfaces than to the dominance of the He‐dopant attractive interaction over the He–He one in both cases. The results of the numerical testing by modifying the strength of the He–He potential interaction provide further evidences into the microscopic interactions holding the clusters together. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Preventing Nanoscale Wear of Atomic Force Microscopy Tips Through the Use of Monolithic Ultrananocrystalline Diamond Probes
Authors: Liu J. , Grierson D. S. , Moldovan N. , Notbohm J. , Li S. , Jaroenapibal P. , O'Connor S. D. , Sumant A. V. , Neelakantan N. , Carlisle J. A. , Turner K. T. , Carpick R. W. 
Published: May 2010

AbstractNanoscale wear is a key limitation of conventional atomic force microscopy (AFM) probes that results in decreased resolution, accuracy, and reproducibility in probe‐based imaging, writing, measurement, and nanomanufacturing applications. Diamond is potentially an ideal probe material due to its unrivaled hardness and stiffness, its low friction and wear, and its chemical inertness. However, the manufacture of monolithic diamond probes with consistently shaped small‐radius tips has not been previously achieved. The first wafer‐level fabrication of monolithic ultrananocrystalline diamond (UNCD) probes with <5‐nm grain sizes and smooth tips with radii of 30–40 nm is reported, which are obtained through a combination of microfabrication and hot‐filament chemical vapor deposition. Their nanoscale wear resistance under contact‐mode scanning conditions is compared with that of conventional silicon nitride (SiNx) probes of similar geometry at two different relative humidity levels (≈15 and ≈70%). While SiNx probes exhibit significant wear that further increases with humidity, UNCD probes show little measurable wear. The only significant degradation of the UNCD probes observed in one case is associated with removal of the initial seed layer of the UNCD film. The results show the potential of a new material for AFM probes and demonstrate a systematic approach to studying wear at the nanoscale.
DNA Minicircles Connected via G‐Quadruplex Interaction Modules
Authors: Gonçalves Diana P. N. , Schmidt Thorsten L. , Koeppel Martin B. , Heckel Alexander 
Published: May 2010

AbstractG‐quadruplexes are becoming reliable alternative interaction modules for the construction of DNA nanoarchitectures due to their prompt inducibility by salts. In this Full Paper, we report the design and synthesis of two different DNA minicircles equipped with G‐rich appendixes that can self‐hybridize into a G‐quadruplex, which acts as a DNA recruiter and glue. Both minicircles, one containing a hairpin‐like G‐rich region and the other an open tuning‐fork‐like G‐rich region, have the potential to form DNA G‐nanoconstructs but only the tuning‐fork minicircle does so. Incubation of the tuning‐fork minicircle with Na+ and Ni2+ results in the formation of minicircle dimers, while K+ and Sr2+ unexpectedly induce the formation of multimers. Moreover, a catenated DNA nanoconstruct is obtained when the components of the hairpin minicircle are incubated with K+ or Na+ and assembled in a stepwise sequence. All nanoconstructs are visualized by atomic force microscopy.