bluuebunny/crossref_metadata_2025 huggingface dataset:
Structure‐Based Pharmacophore Modeling from Multicomplex: a Comprehensive Pharmacophore Generation of Protein Kinase CK2 and Virtual Screening Based on it for Novel Inhibitors
Authors: Sun Hao‐Peng , Zhu Jia , Chen Fei‐Hong , You Qi‐Dong
Published: May 2011

Protein kinase CK2, a member of the serine/threonine kinase family, is an attractive therapeutic target for anticancer combination therapy. A multiple structure‐based modeling approach complemented with shape components was taken to build a reliable pharmacophore model for ATP‐competitive CK2 inhibitors. The final model consisted of one hydrogen bond acceptor (HBA), one hydrogen bond donor (HBD), two hydrophobic (HY) features, several excluded volumes and shape constraints. In the validation study, this model yielded an enrichment factor of 10.22 and performed fairly well in distinguishing active compounds. SPECS database was searched based on this query and sixteen compounds were retained after multiple filtrations for biological test. 4 compounds with IC50 values less than 10 µM were disclosed, providing 2 new chemical scaffolds as CK2 inhibitors. It is expected that the information provided here is helpful for discovering more potential CK2 inhibitors.
Diffusion tensor imaging of diffuse axonal injury in a rat brain trauma model
Authors: van de Looij Yohan , Mauconduit Franck , Beaumont Marine , Valable Samuel , Farion Régine , Francony Gilles , Payen Jean‐François , Lahrech Hana
Published: May 2011

Diffusion tensor imaging (DTI) was used to study traumatic brain injury. The impact–acceleration trauma model was used in rats. Here, in addition to diffusivities (mean, axial and radial), fractional anisotropy (FA) was used, in particular, as a parameter to characterize the cerebral tissue early after trauma. DTI was implemented at 7 T using fast spiral k‐space sampling and the twice‐refocused spin echo radiofrequency sequence for eddy current minimization. The method was carefully validated on different phantom measurements. DTI of a trauma group (n = 5), as well as a sham group (n = 5), was performed at different time points during 6 h following traumatic brain injury. Two cerebral regions, the cortex and corpus callosum, were analyzed carefully. A significant decrease in diffusivity in the trauma group versus the sham group was observed, suggesting the predominance of cellular edema in both cerebral regions. No significant FA change was detected in the cortex. In the corpus callosum of the trauma group, the FA indices were significantly lower. A net discontinuity in fiber reconstructions in the corpus callosum was observed by fiber tracking using DTI. Histological analysis using Hoechst, myelin basic protein and Bielschowsky staining showed fiber disorganization in the corpus callosum in the brains of the trauma group. On the basis of our histology results and the characteristics of the impact–acceleration model responsible for the presence of diffuse axonal injury, the detection of low FA caused by a drastic reduction in axial diffusivity and the presence of fiber disconnections of the DTI track in the corpus callosum were considered to be related to the presence of diffuse axonal injury. Copyright © 2011 John Wiley & Sons, Ltd.
Development and characterization of plasticized polyamides by fluid and solid plasticizers
Authors: Belous A. , Tchoudakov R. , Tzur A. , Narkis Moshe , Alperstein D.
Published: May 2011

Polyamides are semicrystalline polymers that are useful in a wide range of applications in the plastics industry. Some applications require higher flexibility and improved workability of polyamides; thus, a plasticization approach that eases compounding and processing procedures and produces better desired product properties can be utilized. Common plasticizers are high‐boiling liquid esters, but solid plasticizers also have been considered. The present research has focused on plasticization of nylon 66/6 (80/20) copolymer by using selected low molecular weight organic materials. Plasticization of the copolyamide was studied with glycerin mono stearate, benzene sulfonamide, and methyl 4‐hydroxybenzoate as the solid plasticizers and diethylhexyl phthalate as the liquid plasticizer. The materials were prepared and characterized by thermal, mechanical, dynamic, rheological, and morphological properties. The experimental results were supported by simulated polymer and plasticizer interactions using molecular dynamic simulations. Plasticization and antiplasticization phenomena were observed and discussed. The plasticizers were classified by their efficiency in reducing Tg and by modification of the other polyamide properties. Copyright © 2011 John Wiley & Sons, Ltd.
Two‐photon microfabrication of poly(ethylene glycol) diacrylate and a novel biodegradable photopolymer—comparison of processability for biomedical applications
Authors: Koskela Jenni E. , Turunen Sanna , Ylä‐Outinen Laura , Narkilahti Susanna , Kellomäki Minna
Published: May 2011

Two‐photon polymerization (2PP) is a versatile microfabrication tool for biomedical applications as it provides unparalleled resolution for accurate three‐dimensional (3D) replication of biological microstructures. To widen the selection of biomaterials suitable for 2PP, this paper presents the processing of a methacrylated poly(ε‐caprolactone)‐based oligomer (PCL‐o) and a poly(ethylene glycol) diacrylate (PEGda) hydrogel into microstructures. PCL‐o is a novel biodegradable photopolymer that has not been previously processed with 2PP, and the fabrication of both polymers with an Nd:YAG laser is reported here for the first time. The overall 2PP processability and achievable resolution were studied by polymerizing arbitrary microstructures on glass substrates. The samples were characterized with scanning electron microscopy. Additionally, the effect of photoinitiator concentration on the resolution was investigated. Also, a preliminary cell attachment test was performed with UV cured films in order to investigate the impact of the used material–initiator combination on cell viability and migration. As a result, laser‐induced polymerization of both PCL‐o and PEGda was successfully demonstrated, and the Nd:YAG laser was proven adequate for the 2PP processing of the novel biodegradable photoresist. Resolution in the order of 1 µm was achieved with PCL‐o. With the easy processing of both PEGda and PCL‐o, these materials have great potential for different biomedical applications. Copyright © 2011 John Wiley & Sons, Ltd.
Folate pathway polymorphisms predict deficits in attention and processing speed after childhood leukemia therapy
Authors: Kamdar Kala Y. , Krull Kevin R. , El‐Zein Randa A. , Brouwers Pim , Potter Brian S. , Harris Lynnette L. , Holm Suzanne , Dreyer ZoAnn , Scaglia Fernando , Etzel Carol J. , Bondy Melissa , Okcu M. Fatih
Published: May 2011

Background

Neurocognitive impairment occurs in 20–40% of childhood acute lymphoblastic leukemia (ALL) survivors, possibly mediated by folate depletion and homocysteine elevation following methotrexate treatment. We evaluated the relationship between folate pathway polymorphisms and neurocognitive impairment after childhood ALL chemotherapy.

Procedure

Seventy‐two childhood ALL survivors treated with chemotherapy alone underwent a neurocognitive battery consisting of: Trail Making Tests A (TMTA) and B (TMTB), Grooved Pegboard Test Dominant‐Hand and Nondominant‐Hand, Digit Span subtest, and Verbal Fluency Test. We performed genotyping for: 10‐methylenetetrahydrofolate reductase (MTHFR 677C>T and MTHFR 1298A>C), serine hydroxymethyltransferase (SHMT 1420C>T), methionine synthase (MS 2756 A>G), methionine synthase reductase (MTRR 66A>G), and thymidylate synthase (TSER). Student's two sample t‐test and analysis of covariance were used to compare test scores by genotype.

Results

General impairment on the neurocognitive battery was related to MTHFR 1298A>C (P = 0.03) and MS 2756A>G (P = 0.05). Specifically, survivors with MTHFR 1298AC/CC genotypes scored, on average, 13 points lower on TMTB than those with MTHFR 1298AA genotype (P = 0.001). The MS 2756AA genotype was associated with a 12.2 point lower mean TMTA score, compared to MS 2756 AG/GG genotypes (P = 0.01). The TSER 2R/3R and 3R/3R genotypes were associated with an 11.4 point lower mean score on TMTB, compared to the TSER 2R/2R genotype (P = 0.03). Survivors with ≥6 folate pathway risk alleles demonstrated a 9.5 point lower mean TMTA score (P = 0.06) and 14.5 point lower TMTB score (P = 0.002) than survivors with <6 risk alleles.

Conclusions

Folate pathway polymorphisms are associated with deficits in attention and processing speed after childhood ALL therapy. Pediatr Blood Cancer 2011; 57: 454–460. © 2011 Wiley‐Liss, Inc.
Hedgehog pathway activity in pediatric embryonal rhabdomyosarcoma and undifferentiated sarcoma: A report from the Children's Oncology Group
Authors: Pressey Joseph G. , Anderson James R. , Crossman David K. , Lynch James C. , Barr Frederic G.
Published: May 2011

Background

Aberrant activation of the hedgehog (Hh) signaling pathway is implicated widely in both pediatric and adult malignancies. Inactivation of the Hh regulator PTCH is responsible for the Gorlin cancer predisposition syndrome. The spectrum of tumors found in Gorlin Syndrome includes basal cell carcinoma, medulloblastoma, and rarely, rhabdomyosarcoma (RMS). A previous report utilizing in situ hybridization has provided initial evidence for the expression of Hh targets GLI1 and PTCH in RMS tumors.

Procedure

To investigate the role of Hh pathway signaling in pediatric RMS and undifferentiated sarcoma (US) tumors, the expression of Hh pathway targets GLI1 and PTCH was measured. RNA was extracted from archival human tumor specimens collected from pediatric patients enrolled on Intergroup Rhabdomyosarcoma Study III and IV, and subjected to quantitative reverse transcriptase‐polymerase chain reaction.

Results

Expression of GLI1 with or without PTCH was detected in substantial subsets of embryonal RMS (ERMS) and US tumors but only rarely in alveolar RMS tumors. Neither PTCH mutations nor activating SMO mutations were detected in ERMS tumors with high GLI1 expression. Microarray analysis demonstrated relative overexpression of downstream Hh targets in ERMS tumors with high or intermediate GLI1 expression. Unlike a recent report, Hh pathway activity in ERMS tumors did not correlate with a unique clinical phenotype.

Conclusions

Our findings support a role for Hh pathway activation in the genesis of a subset of ERMS and US tumors. Hh signaling may represent a novel therapeutic target in affected tumors. Pediatr Blood Cancer 2011; 57: 930–938. © 2011 Wiley‐Liss, Inc.
Children's psychological distress during pediatric HSCT: Parent and child perspectives
Authors: Chang Grace , Ratichek Sara J. , Recklitis Christopher , Syrjala Karen , Patel Sunita K. , Harris Lynnette , Rodday Angie Mae , Tighiouart Hocine , Parsons Susan K.
Published: May 2011

Background

Hematopoietic stem cell transplantation (HSCT) can be challenging to pediatric recipients and their families. Little is known about the recipients' psychological status as they initiate treatment and in the year afterwards. The purpose of this study is to describe the psychological status of 107 pediatric HSCT recipients from their parents' perspective, and to compare reports from parents and children in a subset of 55 children. We hypothesized that there would be discrepancies between parent and child report of child distress.

Procedure

Multi‐site, prospective study of eligible child participants and their parents who completed selected modules from the Structured Clinical Interview for DSM‐IV‐TR, Childhood Version (KID‐SCID) the month before and one year after HSCT. Diagnoses were threshold or subthreshold.

Results

According to parents, nearly 30% of children had anxiety disorder both before and after HSCT; approximately half of these met threshold criteria. Agreement between parents and children for anxiety disorders was poor at baseline (κ = −0.18, 95%CI = −0.33, −0.02) and fair at 12 months (κ = 0.31, 95%CI = −0.04, 0.66). Agreement about mood disorders was fair at baseline (10% prevalence, κ = 0.39, 95%CI = −0.02, 0.79) and moderate at 12 months (14% prevalence, κ = 0.41, 95%CI = 0.02, 0.80).

Conclusions

Anxiety (30%) and mood (10–14%) symptoms are common in children both before and after HSCT; parent and child reports of these symptoms do not agree. Input from parents and children is recommended to identify more accurately children who may need additional intervention during and following HSCT Pediatr Blood Cancer 2012; 58: 289–296. © 2011 Wiley Periodicals, Inc.
Ofatumumab for a rituximab‐allergic child with chronic‐relapsing paraneoplastic opsoclonus–myoclonus
Authors: Pranzatelli Michael R. , Tate Elizabeth D. , Shenoy Shalini , Travelstead Anna L.
Published: May 2011

Ofatumumab is a fully human anti‐CD20 monoclonal antibody in phase II–III trials for various autoimmune and lymphoreticular diseases. We used it to treat a rituximab‐allergic child with severe, chronic‐relapsing, opsoclonus–myoclonus syndrome (OMS), characterized by persistent cerebrospinal fluid (CSF) B‐cell expansion and T‐cell dysregulation. He had relapsed despite chemotherapy, plasma exchange with immunoadsorption, and resection of ganglioneuroblastoma, detected 3 years after OMS onset. The four ofatumumab infusions (1,195 mg/m2 total dose) were well tolerated, and CSF B‐cell expansion was eliminated. No further relapses have occurred in 3 years, but he remains on low‐dose ACTH with neuropsychiatric residuals of OMS. Pediatr Blood Cancer 2012; 58: 988–991. © 2011 Wiley Periodicals, Inc.
Cost‐effectiveness of treatment of childhood acute lymphoblastic leukemia with chemotherapy only: The influence of new medication and diagnostic technology
Authors: van Litsenburg Raphaële R.L. , Uyl‐de Groot Carin A. , Raat Hein , Kaspers Gertjan J.L. , Gemke Reinoud J.B.J.
Published: May 2011

Background

Survival for childhood acute lymphoblastic leukemia (ALL) has reached 80–90%. Future improvement in treatment success will involve new technologies and medication, adding to the pressure on limited financial resources. Therefore a retrospective cost‐effectiveness analysis of ALL treatment with chemotherapy only according to the two most recent Dutch Childhood Oncology Group treatment protocols was performed. The most recent protocol ALL10 included more expensive medication (pegasparaginase) and implemented a new diagnostic technique (minimal residual disease levels) compared to the previous ALL9 protocol.

Procedure

Fifty children from a single center cohort were included. All direct medical costs made during treatment, including those in satellite hospitals, were determined. Costs per life year saved (LYS) were calculated. The cost‐effectiveness ratio of the most recent treatment protocol was determined. LYS were calculated based on national 5‐year event‐free survival.

Results

Mean total costs were between $115,858 (ALL9) and $163,350 (ALL10) per patient. Hospital admissions (57%) and medication (11–17%) were important drivers of overall costs, and were higher in the most recent protocol ALL10. Costs per LYS were $1,962 (ALL9) and $2,655 (ALL10) and the cost‐effectiveness ratio was $8,215.

Conclusion

Treatment of childhood ALL with chemotherapy only is well within accepted ranges of cost‐effectiveness. The use of new technology and more expensive medication in the most recent protocol ALL10 lead to higher costs but more LYS. In future (ALL) treatment protocols, costs in relation to effects should be taken into account in order to establish more cost‐effective disease management without jeopardizing survival and quality of life. Pediatr Blood Cancer 2011; 57: 1005–1010. © 2011 Wiley‐Liss, Inc.
Transformed in situ fabrication of macroporous carbon network structures from egg membranes and its biomacromolecule adsorption
Authors: Lin Lin , Yuan Pinshi , Wu Qingsheng , Xie Jinsong
Published: May 2011

Novel carbon material with hierarchical porous network structures was made by a method of transformed in situ route based on eggshell membrane (ESM) under inert atmosphere. The structural, physical, and chemical properties were characterized by scanning electron microscopy, Brunauer‐Emmett‐Teller, and UV–visible. The results showed that materials were crosslinked with fibers in diameters ranging from 0.3 to 0.9 μm to form a network. Furthermore, the ESMs were modified to prepare ordered macroporous materials with average pore size of 1 μm. The macroporous materials were evaluated through the adsorption properties of Pb2+ and bovine serum albumin, indicating good selectivity of macromolecules compared with commercial activated carbon. Pore structure analysis indicated that pore size is an important factor on improving the adsorbing macromolecules ability. The materials holding mixed three‐dimensional networks provide favorable transport channels for macromolecules. POLYM. COMPOS., 2011. © 2011 Society of Plastics Engineers
Phenomenological model of interfacial stress transfer in carbon nanotube reinforced composites with van der Waals effects
Authors: Zhou Li‐Jun , Kang Yi‐Lan , Guo Jian‐Gang
Published: May 2011

A pullout model is presented to analyze interfacial stress transfer in the double‐walled carbon nanotube (DWCNT) reinforced composites. The effects of the van der Waals (vdW) interaction between two layers of DWCNT and the Poisson's effects of DWCNT and matrix are taken into account in the model. Based on the equilibrium of the interfacial shear stress and the DWCNT axial stress as well the continuous condition of the displacement and stress on the interface of DWCNT and matrix, normalized interfacial shear stress, DWCNT axial stress and matrix axial stress are derived, respectively. Moreover, the effects of DWCNT aspect ratio, DWCNT volume fraction and relative modulus between the DWCNT and matrix are analyzed in details. Finally, the maximum normalized interfacial shear stress with vdW effect is compared with that without vdW effects. POLYM. COMPOS., 2011. © 2011 Society of Plastics Engineers
High‐performance nanocomposites derived from allyl‐terminated benzoxazine and octakis(propylglycidyl ether) polyhedral oligomeric silsesquioxane
Authors: Huang Kai‐Wei , Kuo Shiao‐Wei
Published: May 2011

In this study, we used the Mannich condensation of bisphenol A, formaldehyde, and allylamine to synthesize a allyl‐terminated benzoxazine (VB‐a), which can be polymerized through ring opening polymerization. We used this VB‐a monomer, blended with octakis(propylglycidyl ether) polyhedral oligomeric silsesquioxane (OG‐POSS), to prepare polybenzoxazine/POSS nanocomposites. Differential scanning calorimetry and Fourier transform infrared (FTIR) spectroscopy revealed that the mechanism of the crosslinking reaction leading to the formation of the organic/inorganic network involved two steps: (i) ring opening and allyl polymerizations of VB‐a and (ii) subsequent reactions between the in situ‐formed phenolic hydroxyl groups of VB‐a and the epoxide groups of OG‐POSS. Dynamic mechanical analysis revealed that the nanocomposites had higher mechanical properties than did the control VB‐a. In the glassy state, nanocomposites containing less than 10 wt % POSS displayed enhanced storage moduli; those of the nanocomposites containing greater than 10 wt % POSS were relatively low, due to aggregation, as determined using scanningelectron microscopy. Thermogravimetric analysis indicated that the nanocomposites possessed greater thermal stability than that of the pure polymer. FTIR spectroscopic analysis revealed the presence of hydrogen bonding between the siloxane groups of POSS and the OH groups of the polybenzoxazine. POLYM. COMPOS., 2011. © 2011 Society of Plastics Engineers
Classification of Greek Mentha pulegium L. (Pennyroyal) Samples, According to Geographical Location by Fourier Transform Infrared Spectroscopy
Authors: Kanakis Charalabos D. , Petrakis Eleftherios A. , Kimbaris Athanasios C. , Pappas Christos , Tarantilis Petros A. , Polissiou Moschos G.
Published: May 2011

Introduction

Mentha pulegium L. (pennyroyal) is one of the four most commercially important Mentha species, even it is not a cultivated plant. It can be abundantly located in the Iberian Peninsula and North African countries. In Greece it grows in the wild and it is scattered all over the country. Pennyroyal is best known for its essential oil, with Spain and Morocco being the largest producers in the world. Mid‐infrared spectroscopy has been applied to determine the origin of various samples.

Objectives

In this work Fourier transform infrared spectroscopy (FT‐IR) combined with canonical discriminant analysis has been applied to distinguish 70 Greek pennyroyal samples according to their collection areas.

Material and methods

Pennyroyal nonpolar organic extracts were prepared using ultrasound‐assisted solvent extraction. The spectra of the extracts were recorded in the range of 4000–400 cm−1 and the best discrimination was achieved in the spectral region 1720–1650 cm−1.

Results

Spectral features for the discrimination of pennyroyal samples among the different collection areas occur primarily in the carbonyl region and are correlated with the main volatile constituents of the extracts (menthone, isomenthone, pulegone, piperitone). All areas were easily differentiated by canonical discriminant analysis. The percentages of correct classification and validation were 94.3 and 90.0%, respectively.

Conclusion

The combination of FT‐IR spectroscopy and multivariate analysis provides a rapid and ambient method to discriminate pennyroyal samples in terms of geographical origin. Copyright © 2011 John Wiley & Sons, Ltd.
Simultaneous Determination of Eight Anthraquinones in Semen Cassiae by HPLC‐DAD
Authors: Xu Lijia , Chan Chi‐on , Lau Ching‐ching , Yu Zhiling , Mok Daniel K. W. , Chen Sibao
Published: May 2011

Introduction

Semen Cassiae (SC), a traditional Chinese herbal medicine for the treatment of various diseases, is known to contain active anthraquinone ingredients. However, since the content of some anthraquinones is too low, previous analytical methods only allow the quantitation of a few anthraquinones or a hydrolysis step has to be included in the sample preparation. A rapid and accurate method to examine the content of as many anthraquinones as possible in SC would be desirable.

Objective

To develop a rapid, sensitive and accurate high‐performance liquid chromatography–diode array detection (HPLC‐ DAD) method to simultaneously quantify eight major anthraquinones (obtusifolin‐2‐glucoside, aurantio‐obtusin, aloe‐ emodin, rhein, obtusifolin, emodin, chrysophanol and physcion) in SC.

Methodology

The separation of anthraquinones was achieved on a C18‐column with a gradient elution using acetonitrile and 0.1% phosphoric acid. The detection wavelength was 278 nm and the analysis finished within 25 min.

Results

The limits of detection of these compounds ranged from 0.07 to 0.15 µg/mL while the limits of quantitation ranged from 0.24 to 0.51 µg/mL. All calibration curves showed good linearities (r2 > 0.999) within the test ranges. This validated method was successfully used to analyse 22 batches of SC samples collected from various geographical locations.

Conclusion

The method was validated to be simple, rapid, accurate and reliable to simultaneously determine eight major anthraquinones in SC. Meanwhile, a more specific anthraquinone, obtusifolin, was proposed to serve as a marker for SC, replacing chrysophanol. Copyright © 2011 John Wiley & Sons, Ltd.
Study of the crystalline phase orientation in uniaxially stretched polypropylene by Raman spectroscopy: Validation and use of a time‐resolved measurement method
Authors: Martin Julien , Ponçot Marc , Bourson Patrice , Dahoun Abdesselam , Hiver Jean‐Marie
Published: May 2011

This study proposes an experimental method to quantify the molecular orientation of the crystalline phase of isotactic polypropylene from polarized Raman spectroscopy measurements. The method is based on the intensity sensitivity of two Raman scattering bands located at 973 (C‐C stretching mode) and 998 cm−1 (CH3 rocking mode) to laser light polarization. The first part of this article is devoted to the validation of the method by comparing Raman and Wide Angle X‐ray Scattering (WAXS) results obtained on postmortem test samples uniaxially deformed at growing levels. Second, the method is applied to follow the molecular orientation in situ during a tensile test by combining a video‐controlled test machine and a Raman spectrometer. Postmortem results show a quantitative agreement between Raman and WAXS measurements. In situ results mainly evidence the ability of the Raman method to characterize molecular orientation in real‐time with less than 5 s time resolution. POLYM. ENG. SCI., 2011. ©2011 Society of Plastics Engineers .
Electro‐tuning of surface state in two‐dimensional photonic crystals
Authors: Vala Ali Soltani , Rezaei Emad , Hoseini Naser , Barvestani Jamal
Published: May 2011

In this paper, we have investigated the electro‐tuning of surface states in two‐dimensional square lattice photonic crystal (PC) of circular air holes in alumina background in which one row of the outermost air holes is infiltrated by a nematic liquid crystal (NLC). By minimizing the total (elastic plus electromagnetic) free energy, the configuration of the NLC directors, as a function of radial distance can be obtained. This configuration determines the dielectric tensor as function of radial distance. Therefore, by use of supercell method, dependence of surface states on applied electrical field has been studied. Numerical results show that position of surface modes can be effectively controlled by applying an external field on liquid crystal rods.
Electrical properties and carrier transport mechanisms of nonvolatile memory devices based on randomly oriented ZnO nanowire networks
Authors: Wang H. J. , Zou C. W. , Zhou L. , Tian C. X. , Lee M. K. , Lee J. C. , Kang T. W. , Fu D. J.
Published: May 2011

We report reproducible bipolar resistive memory devices based on Au/ZnO nanowire networks (ZnO NWNs)/ITO, which show a high Ron/Roff ratio (∼104) and narrow dispersion of set and reset threshold voltages. The dominant conduction mechanisms of low resistance state and high resistance state were verified by Ohmic behavior and space charge limited current, respectively. The switching mechanism is confirmed in terms of the formation and rupture of conductive filaments, with oxygen vacancies localized on the ZnO NWNs surface involved in. The Au/ZnO NWNs/ITO devices presented in our work show potential applications in the next generation nonvolatile memory field. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Potentiation of Antimicrobial Activity of Ciprofloxacin by Pelargonium graveolens Essential Oil against Selected Uropathogens
Authors: Malik Tripti , Singh Padma , Pant Shailja , Chauhan Nirpendra , Lohani Hema
Published: May 2011

The recent approach of using herbs and antibiotics in combination constitutes a strategy to overcome the problems of resistance and side effects associated with conventional antibiotics. In the present study, the antimicrobial effect of Pelargonium graveolens L' Hér essential oil in combination with ciprofloxacin was evaluated on uropathogens, namely, Klebsiella pneumoniae KT2, Proteus mirabilis PRT3 and Staphylococcus aureus ST2. Minimum inhibitory concentrations of P. graveolens essential oil and ciprofloxacin were determined by the microbroth dilution method and further, the interaction between these two agents was studied by a checkerboard method. The fractional inhibitory concentration index (FICI) was calculated to be 0.375 for both K. pneumoniae KT2 and P. mirabilis PRT3, while for S. aureus ST2 it was found to be 0.5. The values of FICI for the tested microorganisms were found to be ≤0.5, which indicates synergism between P. graveolens essential oil and ciprofloxacin. The concave shaped curve in the isobolograms also depicted a synergistic effect of P. graveolens essential oil and ciprofloxacin against the tested microorganisms. Hence, the synergistic action of P. graveolens essential oil and ciprofloxacin may be applied for the treatment of UTIs, which have hitherto been treated by using only synthetic drugs. Copyright © 2011 John Wiley & Sons, Ltd.
Diallyl Disulfide Induces MUC5B Expression via ERK2 in Human Airway Epithelial Cells
Authors: Bae Chang Hoon , Kwak Dong Suk , Ye Sang Baik , Song Si‐Youn , Kim Yong‐Dae
Published: May 2011

Garlic has been shown to have antimicrobial, hypolipidemic, antithrombotic, antitumor and immunostimulatory properties. The medicinal effects of garlic are derived from the flavonoid and organosulfur components. Diallyl disulfide (DADS), an organosulfur, is the main component responsible for the diverse biological effects of garlic. However, the effects of DADS on mucin gene expression in airway epithelial cells have not been reported to date. Therefore, this study was performed to investigate the effects and brief signaling pathway of DADS associated with MUC5B expression in NCI‐H292 epithelial cells using RT‐PCR, ELISA, western blot, immunocytochemistry and cell transfection with siRNA.

DADS induced MUC5B expression and activated the phosphorylation of ERK1/2 MAPK. In addition, U0126 inhibited DADS‐induced MUC5B expression and DADS‐activated phosphorylation of ERK1/2 MAPK. Moreover, the immunopositive cells for MUC5B protein did not appear after treatment of DADS with U0126, and the knockdown of ERK2 MAPK by ERK2 MAPK siRNA significantly blocked DADS‐induced MUC5B mRNA expression. However, DADS did not activate the phosphorylation of p38 MAPK, and SB203580 did not inhibit DADS‐induced MUC5B expression.

This is the first study to show that DADS‐induced MUC5B expression appears to be regulated by activation of the ERK2 MAPK signaling pathway in human NCI‐H292 airway epithelial cells. Copyright © 2011 John Wiley & Sons, Ltd.
New Quality Level of Packaging Components from Paperboard through Technology Improvement in 3D Forming
Authors: Hauptmann Marek , Majschak Jens‐Peter
Published: May 2011

Three‐dimensional forming is a key technology for the application of sustainable materials, like paperboard, in packaging technology. Until now, deep drawing is not considered as a suitable process for manufacturing of packaging components with advanced geometrical design because of the sensitive process and a large number of failure mechanisms. To better understand and apply the physics of deep drawing, the process was studied by experimental investigations. Therefore, an evaluation strategy for formed parts was developed to describe their quality by measurable values. The influence of the technological parameters temperature configuration, moisture content of material and blank holder force on the quality of formed parts was described by a statistic regression model. This model gives an indication of the quantity and the direction of effects that parameter changes have on the quality of 3D‐formed parts. An optimization of the process according to quality criteria showed that, in a first step, the quality of cylindrically drawn paperboard parts was increased drastically compared with that of the state of the art. Furthermore, the existing limits in the height of formed parts were exceeded, and the geometrical shape of the base offered far more opportunities for packaging design than expected. The process turned out to be suitable for a flexible manufacturing of packaging components for multipart packages from paperboard, which are highly sustainable in terms of recycling and reuse of fibres and thereby able to compete in the marketing‐oriented packaging sector. Copyright © 2011 John Wiley & Sons, Ltd.
Lipid Damage Inhibition in Hake by Active Packaging Film with Natural Antioxidants
Authors: Pereira de Abreu David Antonio , Paseiro Losada Perfecto , Maroto Julio , Cruz José M.
Published: May 2011

The capacity of the natural antioxidant to retard oxidation of polyunsaturated fatty acids in hake (Merluccius merluccius) muscle was investigated. Hake fillets were packaged in low‐density polyethylene with the natural antioxidant (sample C1 = 7 mg/dm2 film and sample C2 = 24 mg/dm2 film) or without the antioxidant (control sample) and frozen for 12 months at −20°C. The results confirm the efficacy of an active packaging with a natural antioxidant derived from barley husks to slow the progress of lipid hydrolysis and increase oxidative stability in hake muscle. Determination of peroxide value, conjugated dienes, free fatty acids, thiobarbituric acid reactive substances (TBARS) and anisidine value (AV) proved suitable for studying lipid hydrolysis and primary and secondary lipid oxidation over time. After 6 months of frozen storage, the TBARS levels were lower in hake packed with low‐density polyethylene with the natural antioxidant (C1 and C2) than in the control sample; at month 12, the TBARS values of C1 and C2 were lower (16 and 21%, respectively) than the control samples. AVs observed in samples C1 and C2 at month 9 were lower than those observed in the control sample at month 12. Copyright © 2011 John Wiley & Sons, Ltd.
Measurement of the Oxygen Transmission Rate of Co‐extruded Wine Bottle Closures Using a Luminescence‐Based Technique
Authors: Diéval Jean‐Baptiste , Vidal Stéphane , Aagaard Olav
Published: May 2011

The oxygen transmission rate (OTR) is a value commonly measured in different industries to evaluate oxygen flow through all types of packaging. The Mocon® Ox‐tran® method (Mocon Inc., Minneapolis, MN, USA) for measuring OTR is globally accepted and is recommended in different standards such as the ASTM (F1307‐02), but in practice, only a limited number of samples can be analysed, and the stabilisation of the measurement takes time.

In this paper, a simple, non‐destructive technique allowing measurement of co‐extruded closure OTR is presented. The established protocol allows measurement of oxygen ingress through the closures or at the interface between closures and bottleneck and avoids possible leakages that can happen when bottlenecks are glued onto metallic plates. Oxygen permeating in the bottle is measured by a luminescence‐based technology using separate sensors supplied by PreSens® (Precision Sensing GmbH, Regensburg, Germany).

The simple set‐up and the use of a non‐destructive luminescence‐based technology make this an easy test to perform. Moreover, the development of a predictive model allows us to reduce the analysis time to one week. Comparison with the well‐established Mocon Ox‐tran method shows good accordance between the two techniques. This new method allows the measurement of more samples in less time without compromising analytical performance. This method could become a useful quality control procedure in the wine industry to assess OTR performances of closures. Copyright © 2011 John Wiley & Sons, Ltd.
Stability analysis and control synthesis of switched impulsive systems
Authors: Xiang Weiming , Xiao Jian
Published: May 2011

In this paper, we investigate the stability analysis problem of switched impulsive nonlinear systems and several stabilization problems of switched discrete‐time linear systems are studied. First, sufficient conditions ensuring globally uniformly asymptotically stability of switched nonlinear impulsive system under arbitrary and DDT (dynamical dwell time which defines the length of the time interval between two successive switchings) switching are derived, respectively. In the DDT switching case, we first consider the switched system composed by stable subsystems, then we extend the results to the case where not all subsystems are stable. The stabilizations of switched discrete‐time linear system under arbitrary switching, DDT switching and asynchronous switching are investigated respectively. Based on the stability analysis results, the control synthesis consists of controller design for each subsystem and state impulsive jumping generators design at switching instant. With the aid of the state impulsive jumping generators at switching instant, the ‘energy’ produced by switching can be minimized, which leads to less conservative results. Several numerical examples are given to illustrate the proposed results within this paper. Copyright © 2011 John Wiley & Sons, Ltd.
Mining of protein contact maps for protein fold prediction
Authors: Bhavani S Durga , K Suvarnavani , Sinha Somdatta
Published: May 2011

The three‐dimensional structure of proteins is useful to carry out the biophysical and biochemical functions in a cell. Approaches to protein structure/fold prediction typically extract amino acid sequence features, and machine learning approaches are then applied to classification problem. Protein contact maps are two‐dimensional representations of the contacts among the amino acid residues in the folded protein structure. This paper highlights the need for a systematic study of these contact networks. Mining of contact maps to derive features pertaining to fold information offers a new mechanism for fold discovery from the protein sequence via the contact maps. These ideas are explored in the structural class of all‐alpha proteins to identify structural elements. A simple and computationally inexpensive algorithm based on triangle subdivision method is proposed to extract additional features from the contact map. The method successfully characterizes the off‐diagonal interactions in the contact map for predicting specific ‘folds’. The decision tree classification results show great promise in developing a new and simple tool for the challenging problem of fold prediction. © 2011 John Wiley & Sons, Inc. WIREs Data Mining Knowl Discov 2011 1 362–368 DOI: 10.1002/widm.35

This article is categorized under:

Algorithmic Development > Biological Data Mining

Technologies > Classification

Technologies > Machine Learning
Oligosaccharyltransferase: the central enzyme of N‐linked protein glycosylation
Authors: Mohorko Elisabeth , Glockshuber Rudi , Aebi Markus
Published: May 2011

Abtract

N‐linked glycosylation is one of the most abundant modifications of proteins in eukaryotic organisms. In the central reaction of the pathway, oligosaccharyltransferase (OST), a multimeric complex located at the membrane of the endoplasmic reticulum, transfers a preassembled oligosaccharide to selected asparagine residues within the consensus sequence asparagine‐X‐serine/threonine. Due to the high substrate specificity of OST, alterations in the biosynthesis of the oligosaccharide substrate result in the hypoglycosylation of many different proteins and a multitude of symptoms observed in the family of congenital disorders of glycosylation (CDG) type I. This review covers our knowledge of human OST and describes enzyme composition. The Stt3 subunit of OST harbors the catalytic center of the enzyme, but the function of the other, highly conserved, subunits are less well defined. Some components seem to be involved in the recognition and utilization of glycosylation sites in specific glycoproteins. Indeed, mutations in the subunit paralogs N33/Tusc3 and IAP do not yield the pleiotropic phenotypes typical for CDG type I but specifically result in nonsyndromic mental retardation, suggesting that the oxidoreductase activity of these subunits is required for glycosylation of a subset of proteins essential for brain development.
Dietary n‐3 Fatty Acids Significantly Suppress Lipogenesis in Bovine Muscle and Adipose Tissue: A Functional Genomics Approach
Authors: Hiller Beate , Herdmann Andrea , Nuernberg Karin
Published: May 2011

Changes in fatty acid composition of longissimus muscle and subcutaneous adipose tissue of German Holstein bulls induced by a grass‐silage/n‐3 fatty acid based intervention diet versus a maize‐silage/n‐6 fatty acid based control diet were analyzed and related to shifts in lipogenic gene expression, protein expression, and enzyme activity patterns. Significantly higher amounts of n‐3 fatty acids and by mean factors of 2.2–2.5 decreased n‐6/n‐3 fatty acid ratios in both tissues were obtained upon n‐3 fatty acid intervention. In longissimus muscle, these changes of fatty acid profiles were associated with reduced SREBP1c (p = 0.02), ACC (p = 0.00), FAS (p = 0.10) and SCD (p = 0.03) gene expression, Δ6D (p = 0.03) and SCD (p = 0.03) protein expression as well as SCD enzyme activity (p = 0.03). In subcutaneous adipose tissue, significantly reduced ACC (p = 0.00) and FAS (p = 0.01) gene expression, SCD protein expression (p = 0.02) and SCD enzyme activity (p = 0.03) were detected upon n‐3 fatty acid intervention, although lower degrees of correlation between gene and corresponding gene products were obtained in relation to longissimus muscle. The study elucidates tissue‐specific functional genomic responses to dietary fatty acid manipulation in regard to fatty acid profile tailoring of animal tissues.
Children's response to sales promotions and their impact on purchase behavior
Authors: Boland Wendy Attaya , Connell Paul M. , Erickson Lance‐Michael
Published: May 2011

Despite the growth in children's purchasing power, surprisingly little is known about how children respond to sales promotions. We conduct two experiments to address this issue. Study 1 shows that elementary‐aged (second and fifth grade) children's purchase decisions are influenced by the presence of sales. Study 2 demonstrates that both age groups favor conceptually easier promotions, even when the sale is inferior. Additionally, we find that children have difficulty applying mathematical concepts to sales promotions, regardless of classroom mastery of the associated operations. Together, these results indicate that elementary‐aged children routinely incorporate sales into purchase decisions, sometimes with suboptimal results.
The organic matter of the recent sediments of Lake Beloe, West Siberia (from data of pyrolytic studies)
Authors: Melenevskii V.N. , Leonova G.A. , Konyshev A.S.
Published: May 2011

Study of the Holocene sediments of Lake Beloe (West Siberia) in the depth range 0–137 cm gave an insight into the transformation of organic matter (OM) at the early stages of diagenesis. Analysis of OM was performed by pyrolytic methods (Rock Eval and pyrolysis + chromato-mass spectrometry). It showed that the macromolecular aliphatic structure of the kerogen and the precursors of sterane and hopane geomoleculessterenes and hopenesform at the early stages of diagenesis. We suggest that macrophytes and bacteria are the main sources of OM for the lacustrine sediments.
The geologic features of mineralization at the Dongsheng uranium deposit in the northern Ordos Basin (Central China)
Authors: Rongxi Li , Youzhu Li
Published: May 2011

The Dongsheng uranium deposit, localized in the northern Ordos Basin in northern Central China, is among the largest deposits of this type in China. It occurs in the sandstones of the Middle Jurassic Zhiluo Formation. The crystalline rocks of the Yinshan and Daqingshan orogenic belts in the northern Ordos Basin are the source of uranium for the deposit. The Dongsheng deposit shows the main characteristics of a sandstone uranium deposit of interstratal oxidation zone, including specific hydrothermal rock alteration. It displays distinct lithologic and mineral zoning. The sandstones of the oxidation zone are variegated and oxidized, and the sandstones of the reduction zone are gray and light gray medium- to coarse-grained and underwent albitization, carbonatization, chloritization, epidotization, pyritization, etc. Ore-bearing sandstones occur in the transitional oxidation-reduction zone, being confined mainly to the reduction zone. Uranium minerals are predominant high-temperature coffinite and subordinate brannerite and uraninite. The homogenization temperature of fluid inclusion in the sandstone cement is 150–160 °C. The performed geological analysis suggests that the hydrothermal alteration of the uranium deposit is intimately related to the synchronous Mesozoic regional magmatic events in the Ordos Basin.
Platinum mineralization of the Svetloborsky and Kamenushinsky massifs (Urals Platinum Belt)
Authors: Tolstykh N.D. , Telegin Yu.M. , Kozlov A.P.
Published: May 2011

Platinum mineralization has been studied within two zoned clinopyroxenitedunite massifs of the Urals Platinum Belt. Within the Svetloborsky massif, platinum group minerals (PGM) occur directly in serpentinized dunite. The ore-forming system demonstrates the features of an early evolutionary stage: a significant portion of PtFe alloys belongs to ferroan platinum; native osmium is depleted in Ir; an isoferroplatinumosmium paragenesis is present. Within the Kamenushinsky massif, PGM are genetically related to chromitite and belong to the late-magmatic stage of the ore-forming system evolution: osmium and isoferroplatinum are rich in Ir; both isoferroplatinumosmium and isoferroplatinumiridium magmatic parageneses are present. The elevated Pt in the dunite of the Svetloborsky massif and in the chromitite of the Kamenushinsky massif is the result of two events: the primary-magmatic crystallization of PGM and later hydrothermal overprint.
Stability of a vortex in radial density stratification: role of wave interactions
Authors: DIXIT HARISH N. , GOVINDARAJAN RAMA
Published: May 2011

We study the stability of a vortex in an axisymmetric density distribution. It is shown that a light-cored vortex can be unstable in spite of the ‘stable stratification’ of density. Using a model flow consisting of step jumps in vorticity and density, we show that a wave interaction mediated by shear is the mechanism for the instability. The requirement is for the density gradient to be placed outside the vortex core but within the critical radius of the Kelvin mode. Conversely, a heavy-cored vortex, found in other studies to be unstable in the centrifugal Rayleigh–Taylor sense, is stabilized when the density jump is placed in this region. Asymptotic solutions at small Atwood numberAtshow growth rates scaling asAt1/3close to the critical radius, andAt1/2further away. By considering a family of vorticity and density profiles of progressively increasing smoothness, going from a step to a Gaussian, it is shown that sharp gradients are necessary for the instability of the light-cored vortex, consistent with recent work which found Gaussian profiles to be stable. For sharp gradients, it is argued that wave interaction can be supported due to the presence ofquasi-modes. Probably for the first time, a quasi-mode which decays exponentially is shown to interact with a neutral wave to give exponential growth in the combined case. We finally study the nonlinear stages using viscous direct numerical simulations. The initial exponential instability of light-cored vortices is arrested due to a restoring centrifugal buoyancy force, leading to stable non-axisymmetric structures, such as a tripolar state for an azimuthal wavenumber of 2. The study is restricted to two dimensions, and neglects gravity.