bluuebunny/crossref_metadata_2025 huggingface dataset:
A pilot study of low‐dose anti‐angiogenic chemotherapy in combination with standard multiagent chemotherapy for patients with newly diagnosed metastatic Ewing sarcoma family of tumors: A Children's Oncology Group (COG) Phase II study NCT00061893
Authors: Felgenhauer Judy L. , Nieder Michael L. , Krailo Mark D. , Bernstein Mark L. , Henry David W. , Malkin David , Baruchel Sylvain , Chuba Paul J. , Sailer Scott L. , Brown Ken , Ranganathan Sarangarajan , Marina Neyssa
Published: October 2012

Background

The aims of this study were to determine the feasibility of the combination of low dose, anti‐angiogenic chemotherapy with standard therapy for patients with metastatic Ewing sarcoma (ES), and to obtain preliminary outcome data.

Procedures

Patients with metastatic ES were eligible. Therapy consisted of alternating cycles of ifosfamide–etoposide, and vincristine, doxorubicin, cyclophosphamide. Vinblastine and celecoxib were concomitantly administered. Surgical, radiotherapeutic, or combination local control therapy was given per institutional preference.

Results

Thirty‐five eligible patients were enrolled. Ninety percent received at least 75% of planned vinblastine/celecoxib doses. There was no excess of neurologic, infectious, hemorrhagic, or cardiovascular toxicities. However, 7 of 21 patients who received pulmonary irradiation prior to experiencing pulmonary toxicity did develop grade 2 or greater pulmonary toxicity, including two deaths of apparent radiation pneumonitis. Fourteen of 16 patients with pelvic disease received local irradiation. Hemorrhagic cystitis developed in six patients, five of whom had received pelvic irradiation. The overall 24‐month event free survival was 35% (19–51%); 71% (26–92%) for the seven with isolated pulmonary metastases, 26% (10–45%) for all others.

Conclusion

The combination of vinblastine/celecoxib metronomic therapy with standard ES treatment was feasible according to the protocol definitions. However, excess toxicity in irradiated areas was noted and limits the usefulness of this protocol. The 24‐month EFS for those with isolated pulmonary metastases is better than historical controls, although the number of patient number is small, follow up short and we are lacking contemporaneous controls. Pediatr Blood Cancer 2013; 60: 409–414. © 2012 Wiley Periodicals, Inc.
Histopathology of retinoblastoma: Does standardization make a difference in reporting?
Authors: Sengupta Sabyasachi , Krishnakumar Subramanian , Sharma Tarun , Gopal Lingam , Khetan Vikas
Published: October 2012

The International Retinoblastoma Staging Working Group (IRSWG) provided guidelines for tissue handling of eyes enucleated for retinoblastoma. We adopted these guidelines from January 2009. Reviewing histopathology slides between January 2006 and December 2010 we found significantly more number of eyes with massive choroidal, optic nerve, and anterior segment invasion by tumor cells in the post‐IRSWG era. The guidelines provided by the IRSWG; in addition to being standardized; recognize more eyes with histopathologic risk factors compared to techniques applied in the past. This may translate to more children receiving adjuvant chemotherapy and contribute to reduced mortality rates in the future. Pediatr Blood Cancer 2013;60:336–337. © 2012 Wiley Periodicals, Inc.
Glutathione S‐transferase P1 single nucleotide polymorphism predicts permanent ototoxicity in children with medulloblastoma
Authors: Rednam Surya , Scheurer Michael E. , Adesina Adekunle , Lau Ching C. , Okcu Mehmet Fatih
Published: October 2012

Background

Glutathione S‐transferase (GST) enzymes are involved in detoxifying chemotherapy and clearing reactive oxygen species formed by radiation. We explored the relationship between the host GSTP1 105 A > G polymorphism (rs1695), tumor GSTpi protein expression, and clinical outcomes in pediatric medulloblastoma. We hypothesized that the GSTP1 105 G‐allele and increased tumor GSTpi expression would be associated with lower progression‐free survival and fewer adverse events.

Procedure

The study included 106 medulloblastoma/primitive neuroectodermal tumor (PNET) patients seen at Texas Children's Cancer Center. Genotyping was performed using an Illumina HumanOmni1‐Quad BeadChip and GSTpi expression was assessed using immunohistochemistry. We used the Kaplan–Meier method for survival analyses and logistic regression for toxicity comparisons.

Results

Patients with a GSTP1 105 AG/GG genotype (vs. AA) or who had received high dose craniospinal radiation (≥34 Gy vs. <26 Gy) had a greater risk of requiring hearing aids than their counterparts (OR 4.0, 95% CI 1.2–13.6, and OR 3.1, 95% CI 1.1–8.8, respectively, n = 69). Additionally, there was a statistically significant interaction between these variables. Compared with the lowest risk group (GSTP1 105 AA–low dose radiation), patients with a GSTP1 105 AG/GG genotype who received high dose radiation were 8.4 times more likely to require hearing aids (95% CI 1.4–49.9, p‐trend = 0.005, n = 69). When adjusted for age, cumulative cisplatin dose, and amifostine use, the association remained.

Conclusions

The GSTP1 105 G‐allele is associated with permanent ototoxicity in pediatric medulloblastoma/PNET and strongly interacts with radiation dose. Patients with this allele should be considered for clinical trials employing radiation dose modifications and cytoprotectant strategies. Pediatr Blood Cancer 2013; 60: 593–598. © 2012 Wiley Periodicals, Inc.
Vancomycin‐Induced Thrombocytopenia Without Isolation of a Drug‐Dependent Antibody
Authors: Ruggero Michael A. , Abdelghany Osama , Topal Jeffrey E.
Published: October 2012

Vancomycin is a glycopeptide antibiotic used in the treatment of gram‐positive infections including methicillin‐resistant Staphylococcus aureus (MRSA). The most common adverse reaction to vancomycin is red man syndrome, which is a histaminergic reaction causing a rash on the upper torso, neck, and face after rapid infusion of the drug. Less commonly, vancomycin has been associated with thrombocytopenia. The etiology is believed to be the induction of drug‐dependent antibodies, which in turn cause immune‐mediated destruction of platelets. We describe a 41‐year‐old man who received two courses of vancomycin for the treatment of MRSA pneumonia and then experienced a decline in platelet count to a nadir of 15 x 103/mm3. Vancomycin was discontinued, doxycycline was started, and the patient's platelet count rebounded over the next 6 days. The patient was readmitted to the hospital 2 months later for MRSA bacteremia and was rechallenged with vancomycin. He again experienced a decline in platelet count. Vancomycin was discontinued, and daptomycin was started. The patient's platelet count rebounded to normal levels over the next 5 days. Although the patient experienced acute thrombocytopenia after vancomycin exposure, no bleeding complications occurred, and the patient's platelet count rebounded to normal after the discontinuation of vancomycin. The patient had no other known risk factors for the development of rapid thrombocytopenia. Use of the Naranjo adverse drug reaction probability scale indicated a definite relationship (score of 9) between the patient's development of thrombocytopenia and vancomycin therapy. Although vancomycin was the presumed cause of thrombocytopenia in this patient, no drug‐dependent antibody was isolated from blood samples collected after both exposures to vancomycin (analyzed by using a screening assay to identify drug‐dependent antibodies to vancomycin [developed by the BloodCenter of Wisconsin]). Although the evidence supporting vancomycin induction of antibody‐mediated destruction of platelets was lacking, further studies delineating alternate mechanisms of platelet destruction are warranted. Therefore, even in the absence of a positive antibody test, vancomycin should still be considered in the differential diagnosis as a cause of drug‐induced thrombocytopenia.
Diagnosis and management of psychosis in Parkinson's disease
Authors: Latoo Javed , Mistry Minal , Dunne Francis J
Published: October 2012

Parkinson's disease is associated with a high prevalence of psychiatric co‐morbidity including psychosis. In this review, Dr Latoo and colleagues discuss the epidemiology, aetiology and diagnosis of psychosis in Parkinson's disease and emphasise the importance of close liaison between neurologists and psychiatrists for optimal management.
The burden of bipolar disorder in the UK
Authors: Titmarsh Steve
Published: October 2012

Bipolar disorder is complex and challenging to diagnose. As a result the disorder is under‐recognised and undertreated, commented Professor Allan Young, Chair of Psychiatry at Imperial College London, speaking at a satellite meeting organised by AstraZeneca during the Latest Advances in Psychiatry Symposium XI in March. A more holistic approach to managing bipolar disorder and recognition that the illness is probably more common than official statistics suggest could lessen the burden considerably. Steve Titmarsh reports.
Styrene‐vinyl pyridine diblock copolymers: Achieving high molecular weights by the combination of anionic and reversible addition–fragmentation chain transfer polymerizations
Authors: Pafiti Kyriaki S. , Patrickios Costas S. , Filiz Volkan , Rangou Sofia , Abetz Clarissa , Abetz Volker
Published: October 2012

Anionic and reversible addition–fragmentation chain transfer (RAFT) polymerizations were combined for the preparation of high molecular weight (MW) amphiphilic diblock copolymers based on the hydrophobic styrene (Sty) and the more polar 2‐vinyl pyridine (2VPy) or 4‐vinyl pyridine (4VPy). In particular, four amphiphilic Sty‐VPy diblock copolymers with MWs up to 271,000 g mol–1were prepared. For the polymer synthesis, first, living anionic polymerization of Sty usingsec‐butyl‐lithium as initiator in tetrahydrofuran at −70 °C, followed by termination with ethylene oxide were employed for the preparation of OH‐functionalized homopolyStys. Subsequently, a modification of the OH‐terminal group was performed by the attachment of a 4‐cyanopentanoic acid dithiobenzoate chain transfer agent (CTA) group, giving a polySty macroRAFT CTA, which was extended with 2VPy or 4VPy units using RAFT polymerization. Thus, the prepared diblock copolymers comprised a first block which was near‐monodisperse in size, and a second more heterogeneous block. All diblock copolymers were characterized in terms of their MWs and compositions by gel permeation chromatography and1H NMR spectroscopy, respectively, giving results close to the theoretically expected values. Films cast from chloroform solutions of the diblock copolymers were investigated in terms of their bulk morphologies using transmission electron microscopy, which indicated that the minority block consistently formed the discontinuous microphase, spherical or cylindrical. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013
Synthesis and properties of the conjugated polymers with indenoindene and benzimidazole units for organic photovoltaics
Authors: Shim Joo Young , Lee Byoung Hoon , Song Suhee , Kim Heejoo , Kim Ju Ae , Kim Il , Lee Kwanghee , Suh Hongsuk
Published: October 2012

A new electron deficient unit, dimethyl‐2H‐benzimidazole (MBI), and dihydroindeno[2,1‐a]indene (ININE) moiety as electron‐rich unit were coupled to synthesize the conjugated polymers containing electron donor–acceptor pair for organic photovoltaics. ININE, MBI, and thiophene (or bithiophene) units were incorporated using Stille and Suzuki polymerization to generate poly(2,7‐(5,5,10,10‐tetrakis(2‐ethylhexyl)‐5,10‐dihydro‐ indeno[2,1‐a]indene)‐alt‐5,5‐(4′,7′‐di‐2‐thienyl‐2,2‐dimethyl‐2H‐benzimidazole)) (PININEDTMBIs) (or PININEBBTMBIs). In MBI, the sulfur at 2‐position of 2,1,3‐benzothiadiazole (BT) unit was replaced with dialkyl‐substituted carbon, whereas keeping the 1,2‐quinoid form, to improve the solubility of the polymers. The field‐effect hole mobility of PININEBBTMBI was 3.2 × 10−4 cm2/Vs which was improved as compared to that of PININEDTMBI (2.7 × 10−5 cm2/Vs) caused by the introduction of bithiophene units. In case of the most efficient polymer, PININEBBTMBI, the device with the configuration of indium tin oxide (ITO)/poly(3,4‐ethylenedioxythiophene) (PEDOT):polystyrene sulfonate (PSS)/polymer:PC71BM(1:4 w/w)/Al, annealed at 100 °C for 10 min demonstrated a open circuit voltage of 0.78 V, a short‐circuit current density of 6.66 mA/cm2, and a fill factor of 0.41, leading to the power conversion efficiency of 2.11%, under white‐light illumination (AM 1.5 G, 100 mW/cm2). © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013
Family factors associated with academic achievement deficits in pediatric brain tumor survivors
Authors: Ach Emily , Gerhardt Cynthia A. , Barrera Maru , Kupst Mary Jo , Meyer Eugene A. , Patenaude Andrea F. , Vannatta Kathryn
Published: October 2012

Purpose

The purpose of this study is to examine whether parental education, socioeconomic status, or family environment moderate the extent of academic achievement deficits in pediatric brain tumor survivors (PBTS) relative to classmate case‐controls. PBTS are known to be at risk for cognitive and academic impairment; however, the degree of impairment varies. Prior research has focused on treatment risk, and efforts to examine the protective role of family resources and relationships have been lacking.

Methods

Pediatric brain tumor survivors (N = 164), ages 8–15 and 1–5 years posttreatment, were recruited at five treatment centers in the United States and Canada. A case‐control classmate, matched for age, gender, and race, was recruited for each survivor. The Wide Range Achievement Test, a demographic form, and the Family Environment Scale were administered in families' homes. Treatment data were abstracted from medical charts.

Results

Pediatric brain tumor survivors demonstrated lower achievement than classmate‐controls in reading, spelling, and arithmetic. Parental education and socioeconomic status were associated with levels of achievement demonstrated by PBTS but did not account for discrepancies between PBTS and classmate‐controls. Deficits in achievement relative to classmate‐controls, across all academic domains, were greater for survivors in families lower in support and higher in conflict. These associations remained after controlling for age at diagnosis, time since treatment, and whether treatment had involved chemotherapy, focal, or whole brain radiation.

Conclusions

These results support the development of interventions to enhance family functioning as well as educational resources as part of intervention and rehabilitation services to optimize academic progress in children who have been treated for brain tumors. Copyright © 2012 John Wiley & Sons, Ltd.
Treating chemotherapy induced agranulocytosis with granulocyte colony‐stimulating factors in a patient on clozapine
Authors: Kolli Venkata , Denton Kevin , Borra Dileep , Pulluri Madhuri , Sharma Ashish
Published: October 2012

Background

Clozapine is reserved for overcoming treatment resistance in schizophrenia. Malignancy is common in schizophrenia; however, there is limited evidence available on continuing clozapine with chemotherapy, with both having hematological adverse effects.

Objective

To report a case on the use of granulocyte colony‐stimulating factor (G‐CSF) in conjunction with clozapine and chemotherapy.

Methods

We searched PubMed for any available information on the use of granulocyte G‐CSF with clozapine and chemotherapy. We report the case of a patient with schizophrenia who developed B‐cell lymphoma and was treated with chemotherapy consisting of CHOP regimen, rituximab, and methotrexate. He was continued on clozapine and G‐CSF.

Results

We did not find any reports on G‐CSF use in conjunction with clozapine and chemotherapy. We found case reports and a case series on the use of G‐CSF in clozapine rechallenge with clozapine‐induced agranulocytosis with mixed results. In our patient on clozapine, the white blood cell counts reduced by chemotherapy, were successfully replenished with the use of filgrastim, a G‐CSF.

Conclusions

With risks of psychosis relapse and exacerbation with discontinuing clozapine, the addition of G‐CSF could be a useful aid in replenishing white cell counts lost to chemotherapy whilst continuing clozapine. However, further study is needed on this combination. Copyright © 2012 John Wiley & Sons, Ltd.
S‐ to N‐Acyl transfer in S‐acylcysteine isopeptides via 9‐, 10‐, 12‐, and 13‐membered cyclic transition states
Authors: Bol'shakov Oleg , Kovacs Judit , Chahar Mamta , Ha Khanh , Khelashvili Levan , Katritzky Alan R.
Published: October 2012

S‐Acyl cysteine peptides containing α‐, β‐ or γ‐amino acid residues undergo long‐range S‐ to N‐acyl transfer to give analogs of native tripeptides and tetrapeptides containing additional carbon atoms in the chain. The ease of intramolecular S → N‐acyl transfer relative to intermolecular transacylation is favored increasingly for 9 < 12 < 13 ~ 10‐membered cyclic transition states; the observed order is explained on conformational and intermolecular interaction considerations. Copyright © 2012 European Peptide Society and John Wiley & Sons, Ltd.
Photoinduced current in molecular conduction junctions with semiconductor contacts
Authors: Fainberg Boris , Seideman Tamar
Published: October 2012

We propose a new approach to coherent control of transport via molecular junctions, which bypasses several of the hurdles to experimental realization of optically manipulated nanoelectronics noted in the previous literature. The method is based on the application of intrinsic semiconductor contacts and optical frequencies below the semiconductor bandgap. It relies on a simple and general concept, namely the controllable photonic replication of molecular levels through the dipole driving the molecular bridge by an electromagnetic field. We predict the effect of coherent destruction of induced tunneling that extends the certain effect of coherent destruction of tunneling. Our results illustrate the potential of semiconductor contacts in coherent control of photocurrent.
Study of the low‐temperature properties of multiferroic YbMnO3 and YbMn0.7Ga0.3O3 single crystals
Authors: Abramov N. , Lofland S. , Mukovskii Ya.
Published: October 2012

The specific heat, magnetization, and magnetocapacitance of YbMnO3 and YbMn0.7Ga0.3O3 multiferroic single crystal manganites were measured in magnetic field. From the specific heat data it was stated that the effect of dilution of Mn by non‐magnetic Ga3+ ions led to reduced Mn magnetic interactions and suppressed the magnetic ordering of Yb in both the 2a and 4b positions. Combining the results of all measurements, the magnetic‐field–temperature phase diagram YbMnO3 was drawn, and the types of the Yb magnetic ordering in both positions were determined.
Real‐time manipulation of ZnO nanowires on a flat surface employed for tribological measurements: Experimental methods and modeling
Authors: Dorogin Leonid M. , Vlassov Sergei , Polyakov Boris , Antsov Mikk , Lõhmus Rünno , Kink Ilmar , Romanov Alexey E.
Published: October 2012

Elastic and tribological properties of zinc oxide nanowires (NWs) on Si wafer and highly oriented pyrolytic graphite (HOPG) are experimentally investigated and theoretically interpreted. Measurements are performed inside a scanning electron microscope (SEM) using real‐time manipulation technique that enables two possible ways of data registration: “external” force registration with quartz tuning fork (QTF) based sensor and “internal” force registration utilizing in situ observed elastic deformation of NWs. Young modulus is determined by loading half‐suspended NW at its free end and then employed for the following tribological experiments. Maximal static friction force is estimated when NW is being pushed at one end and switches from partial to complete motion upon overcoming static friction. Kinetic friction is extracted from the profile of the NW being uniformly dragged at the midpoint. After being brought to rest after the manipulations, the NW causes redistribution of static friction force from the supporting surface which is calculated and compared with kinetic friction. Thus, it is possible to describe the complete range of tribological phenomena: static friction upon the transition to kinetic friction, pure kinetic friction, and the relaxation of kinetic friction to self‐balanced static friction.
Au/TiO2 nanorod‐based Schottky‐type UV photodetectors
Authors: Karaagac Hakan , Erdal Aygun Levent , Parlak Mehmet , Ghaffari Mohammad , Biyikli Necmi , Kemal Okyay Ali
Published: October 2012

TiO2 nanorods (NRs) were synthesized on fluorine‐doped tin oxide (FTO) pre‐coated glass substrates using hydrothermal growth technique. Scanning electron microscopy studies have revealed the formation of vertically‐aligned TiO2 NRs with length of ∼2 µm and diameter of 110–128 nm, homogenously distributed over the substrate surface. 130 nm thick Au contacts using thermal evaporation were deposited on the n‐type TiO2 NRs at room temperature for the fabrication of NR‐based Schottky‐type UV photodetectors. The fabricated Schottky devices functioned as highly sensitive UV photodetectors with a peak responsivity of 134.8 A/W (λ = 350 nm) measured under 3 V reverse bias. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The challenges of evaluating dose response in flexible‐dose trials using marginal structural models
Authors: Lipkovich Ilya , Mallinckrodt Craig H. , Faries Douglas E.
Published: October 2012

Assessing dose response from flexible‐dose clinical trials is problematic. The true dose effect may be obscured and even reversed in observed data because dose is related to both previous and subsequent outcomes. To remove selection bias, we propose marginal structural models, inverse probability of treatment‐weighting (IPTW) methodology. Potential clinical outcomes are compared across dose groups using a marginal structural model (MSM) based on a weighted pooled repeated measures analysis (generalized estimating equations with robust estimates of standard errors), with dose effect represented by current dose and recent dose history, and weights estimated from the data (via logistic regression) and determined as products of (i) inverse probability of receiving dose assignments that were actually received and (ii) inverse probability of remaining on treatment by this time. In simulations, this method led to almost unbiased estimates of true dose effect under various scenarios. Results were compared with those obtained by unweighted analyses and by weighted analyses under various model specifications. The simulation showed that the IPTW MSM methodology is highly sensitive to model misspecification even when weights are known. Practitioners applying MSM should be cautious about the challenges of implementing MSM with real clinical data. Clinical trial data are used to illustrate the methodology. Copyright © 2012 John Wiley & Sons, Ltd.
A generalisation of T‐optimality for discriminating between competing models with an application to pharmacokinetic studies
Authors: Vajjah Pavan , Duffull Stephen B
Published: October 2012

The T‐optimality criterion is used in optimal design to derive designs for model selection. To set up the method, it is required that one of the models is considered to be true. We term this local T‐optimality. In this work, we propose a generalisation of T‐optimality (termed robust T‐optimality) that relaxes the requirement that one of the candidate models is set as true. We then show an application to a nonlinear mixed effects model with two candidate non‐nested models and combine robust T‐optimality with robust D‐optimality. Optimal design under local T‐optimality was found to provide adequate power when the a priori assumed true model was the true model but poor power if the a priori assumed true model was not the true model. The robust T‐optimality method provided adequate power irrespective of which model was true. The robust T‐optimality method appears to have useful properties for nonlinear models, where both the parameter values and model structure are required to be known a priori, and the most likely model that would be applied to any new experiment is not known with certainty. Copyright © 2012 John Wiley & Sons, Ltd.
Theoretical and experimental studies on solubility and reactivity behavior of lysergol, elymoclavine, and dihydrolysergol
Authors: Rohilla Mehak , Goel Neetu , Singh Tej Vir , Venugopalan P. , Kumar N. V. Suresh , Tewari K.
Published: October 2012

Lysergol, elymoclavine (Δ9,10 and Δ8,9 regioisomers), and dihydrolysergol are important members of ergolines. The present work reports their comparative study in gas and solvent phase (water) that has been performed both experimentally and theoretically. Theortical calculations have been carried within the density functional theory formalism to analyze the structural and electronic properties of these molecules with B3LYP hybrid exchange–correlational fuctional in conjunction with 6‐311++G (d,p) basis set. Hessian calculations are performed at B3LYP/6‐31G (d,p) level of theory in gas phase as well as other solvent phases. Solvent phase calculations are performed using Onsager reaction field model as implemented in Gaussian 03. A good agreement has been found between experimental and theoretical infrared and nuclear magnetic resonance (NMR) spectra. The calculated NMR data has been analyzed statistically. Stability of these regioisomers has been analyzed in terms of the energy gap between highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO gap). Calculations for lysergol and elymoclavine in water as solvent were carried to examine the effect of solvent on the HOMO–LUMO levels and energy of these molecules. © 2012 Wiley Periodicals, Inc.
Real‐time quantum chemistry
Authors: Haag Moritz P. , Reiher Markus
Published: October 2012

Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or molecular assemblies—especially linear and sublinear scaling techniques are devoted to the accomplishment of this goal. However, as many chemical reactions are rather local, they usually involve only a limited number of atoms so that models of about 200 (or even less) atoms embedded in a suitable environment are sufficient to study their mechanisms. Thus, the system size does not need to be enlarged, but remains constant for reactions of this type that can be described by less than 200 atoms. The question then arises how fast one can obtain the quantum chemical results. This question is not directly answered by linear‐scaling techniques. In fact, ideas such as haptic quantum chemistry (HQC) or interactive quantum chemistry require an immediate provision of quantum chemical information which demands the calculation of data in “real time.” In this perspective, we aim at a definition of real‐time quantum chemistry, explore its realm and eventually discuss applications in the field of HQC. For the latter, we elaborate whether a direct approach is possible by virtue of real‐time quantum chemistry. © 2012 Wiley Periodicals, Inc.
The structure and electronic property of the smallest C20‐glycine and Gd‐encapsulated C20‐glycine derivatives with potentially biological activity
Authors: Cao Yang , Wang Dawei , Liu Bin , Yao Guijun , Fu Yutuo , Li Xiaojun , Bi Zhenggang
Published: October 2012

Theoretical calculations on interaction of the C20 fullerene (consists solely by pentagons) with the smallest amino acid (glycine) were carried out using density‐functional theory method. The glycine molecule energetically prefers to interact with the Top‐site on the C20 cage via its amino nitrogen (N) active site. The stable ordering of three active sites on glycine molecule is NH2‐site > O‐site > OH‐site. Moreover, when the Gd atom is encapsulated to the center of C20‐glycine, the cage volume obviously increase ∼24.8%; and the endohedral atom induces the generation of two strong bands in the partial density of states spectra, which could cause the effect on optical properties. Additionally, it is also found that the modified C20‐glycine derivative by Gd atom can reduce the thermodynamic and kinetic stabilities. It could be expected that the study may provide a theoretical reference in exploring their intrinsic feature structurally to antitumor activity. © 2012 Wiley Periodicals, Inc.
Theoretical investigation of ytterbium trichelates compounds
Authors: Lakehal Salima , Ouddai Nadia , Hannachi Douniazed , Bououdina Mohmed
Published: October 2012

Theoretical studies on ytterbium trichelates, Yb(L)3(L = trifluoromethanesulfonate (OTF), perchlorate (ClO4), p‐toluenesulfonic (TOS), nitrobenzenesulfonic (NBSA), and dodecylsulfate (DOS), are carried out using density functional theory method at the PW91/TZP level, for the first time. All ligands are bidentate and the compounds exhibit a distorted trigonal prismatic structure, with a maximum twist angle obtained for ytterbium p‐toluenesulfonic compound Yb(TOS)3. The quantum theory of atoms in molecules (AIM) and energy decomposition analysis reveal the dominant ionic character in ytterbium–oxygen bonding with a little covalent character. According to the Pearson terminology, the Yb(NBSA)3complex reveals the higher acidity. © 2012 Wiley Periodicals, Inc.
Carbon isotopic (13C and 14C) composition of synthetic estrogens and progestogens
Authors: Griffith David R. , Wacker Lukas , Gschwend Philip M. , Eglinton Timothy I.
Published: October 2012

RATIONALE

Steroids are potent hormones that are found in many environments. Yet, contributions from synthetic and endogenous sources are largely uncharacterized. The goal of this study was to evaluate whether carbon isotopes could be used to distinguish between synthetic and endogenous steroids in wastewater and other environmental matrices.

METHODS

Estrogens and progestogens were isolated from oral contraceptive pills using semi‐preparative liquid chromatography/diode array detection (LC/DAD). Compound purity was confirmed by gas chromatography/flame ionization detection (GC/FID), gas chromatography/time‐of‐flight mass spectrometry (GC/TOF‐MS) and liquid chromatography/mass spectrometry using negative electrospray ionization (LC/ESI‐MS). The 13C content was determined by gas chromatography/isotope ratio mass spectrometry (GC/IRMS) and 14C was measured by accelerator mass spectrometry (AMS).

RESULTS

Synthetic estrogens and progestogens are 13C‐depleted (δ13Cestrogen = –30.0 ± 0.9 ‰; δ13Cprogestogen = –30.3 ± 2.6 ‰) compared with endogenous hormones (δ13C ~ –16 to –26 ‰). The 14C content of the majority of synthetic hormones is consistent with synthesis from C3 plant‐based precursors, amended with 'fossil' carbon in the case of EE2 and norethindrone acetate. Exceptions are progestogens that contain an ethyl group at carbon position 13 and have entirely 'fossil' 14C signatures.

CONCLUSIONS

Carbon isotope measurements have the potential to distinguish between synthetic and endogenous hormones in the environment. Our results suggest that 13C could be used to discriminate endogenous from synthetic estrogens in animal waste, wastewater effluent, and natural waters. In contrast, 13C and 14C together may prove useful for tracking synthetic progestogens. Copyright © 2012 John Wiley & Sons, Ltd.
Cipher feedback mode under go‐back‐N and selective‐reject protocols in error channels
Authors: Liang Xiannuan , Xiao Yang , Ozdemir Suat , Vasilakos Athanasios V. , Deng Hongmei
Published: October 2012

To produce ciphertexts, two modes of encryption are applied—block ciphers, which encrypt a fixed size block of plaintext at a time, and stream ciphers, which encrypt stream data, one or more bits at a time. As one of stream ciphers, the cipher feedback (CFB) mode is implemented by a block cipher via multiple stages, and in each stage, 1 bit or a number of bits of plaintext are encrypted at a time. Throughout this paper, the study will focus upon the error performance of the stream‐based CFB under two sliding‐window protocols, go‐back‐N and selective‐reject, in an error channel in terms of throughput. We model the performance of the CFB in terms of application‐level throughput and derive the number of stages needed to achieve the optimal throughput, under a given error rate in an error channel. Copyright © 2012 John Wiley & Sons, Ltd.
Tor traffic analysis using Hidden Markov Models
Authors: Zhioua Sami
Published: October 2012

Tor protocol has been designed primarily to defend against traffic analysis, which threatens privacy while using Internet. In this paper, we consider a very common threat model where an attacker can observe only the local traffic between the target Tor client and the first Tor relay. We show that even with this restricted threat model, the attacker can infer relevant information about the client's traffic, in particular when exactly new circuits are constructed. This is achieved by analyzing the Tor traffic using Hidden Markov Models (HMMs). The experimental analysis shows that the proposed HMM‐based approach has a high precision (93 % on average) and F‐measure (75 % on average). The more interesting part of the paper discusses how a local attacker can identify the hops forming circuits initiated by the Tor client victim. The attack is based on sampling the timing patterns of the most “probable” paths and then estimating the likelihood of each one of them given a circuit construction packets sequence. The experimental analysis shows that the proposed approach has an acceptable precision (around 50 %) as long as the time delay between HMM learning and the actual traffic analysis is relatively small. Copyright © 2012 John Wiley & Sons, Ltd.
‘Fairy Chimney’‐Shaped Tandem Metamaterials as Double Resonance SERS Substrates
Authors: Cinel Neval A. , Bütün Serkan , Ertaş Gülay , Özbay Ekmel
Published: October 2012

A highly tunable design for obtaining double resonance substrates to be used in surface‐enhanced Raman spectroscopy is proposed. Tandem truncated nanocones composed of Au‐SiO2‐Au layers are designed, simulated and fabricated to obtain resonances at laser excitation and Stokes frequencies. Surface‐enhanced Raman scattering experiments are conducted to compare the enhancements obtained from double resonance substrates to those obtained from single resonance gold truncated nanocones. The best enhancement factor obtained using the new design is 3.86 × 107. The resultant tandem structures are named after “Fairy Chimneys” rock formation in Cappadocia, Turkey.
Mapping Maritime Sustainability Issues with Stakeholder Groups
Authors: Videira Nuno , Lopes Rita , Antunes Paula , Santos Rui , Casanova José Luís
Published: October 2012

Improving formulation and implementation of sustainable strategies is increasingly dependent upon more integrated and participatory decision‐making processes. This paper explores the use of qualitative system dynamics tools and a participatory modelling approach to support scoping stages of an integrated sustainability assessment (ISA) process. To facilitate mapping of maritime sustainability issues in Portugal, a series of preparatory interviews allowed eliciting stakeholders’ perceptions and their alignment with current public policies. In the subsequent participatory modelling workshop, stakeholders deliberated on maritime problems and constructed causal loop diagrams, identifying feedback structures and voting on leverage points to intervene in the system. Overall results show that the process generated positive outcomes at individual and group levels, stimulating basic systems thinking knowledge and skills. Although further time for model iteration was suggested, the proposed approach promoted learning and a transition toward a shared and more holistic view of maritime problems and its underlying causal interrelationships. This is a promising result for the use of participatory modelling approaches as platforms supporting emerging ISA frameworks. Copyright © 2012 John Wiley & Sons, Ltd.
A Systems Thinking Approach to identify Leverage Points for Sustainability: A Case Study in the Cat Ba Biosphere Reserve, Vietnam
Authors: Nguyen Nam C. , Bosch Ockie J. H.
Published: October 2012

The nature and practice of sustainability is very complex, multi‐dimensional and dynamic. Traditional and reductionist approaches have shown their inability to address sustainability issues. Increasing complex issues and challenges related to sustainability requires a fresh approach to address the multi‐dimensional and multi‐disciplinary nature of complexity. In this paper, systems thinking is used in a case study in a UNESCO designated Biosphere Reserve to demonstrate its application to effectively address complex and sustainability issues. A systems model has been developed, and various tools, processes and techniques of systems thinking have been used in the study. The systems model and its associated systems archetypes are qualitatively analysed to provide insights into potential system behaviour and to facilitate the identification of leverage points and systemic intervention strategies that are required for the sustainable development of the Biosphere. The unique approach used in this study has significant potential to apply globally considering the comprehensive network of Biosphere Reserves around the world, as well as the various sustainability and other complex issues that our society is facing. Copyright © 2012 John Wiley & Sons, Ltd.
Comparing the Effects of Test Anxiety on Independent and Integrated Speaking Test Performance
Authors: Huang Heng‐Tsung Danny , Hung Shao‐Ting Alan
Published: October 2012

Integrated speaking test tasks (integrated tasks) offer textual and/or aural input for test takers on which to base their subsequent oral responses. This path‐analytic study modeled the relationship between test anxiety and the performance of such tasks and explored whether test anxiety would differentially affect the performance of independent speaking test tasks (independent tasks) and the performance of integrated tasks. A total of 352 students studying English as a foreign language took two independent tasks for which they spoke without input support, performed two integrated tasks for which they orally summarized the reading and listening input, and completed the state anxiety inventory twice. To avoid topic effects, half of them took the tasks on one topic combination, and the other half took the tasks on another combination. Path analyses of the data reveal that (1) test anxiety significantly affected integrated performance, (2) test anxiety impacted independent performance and integrated performance in a statistically equivalent way, and (3) topic effects were absent. These findings suggest that the advantage of integrated tasks over independent tasks might not relate to the reduction of test anxiety or its impact on test performance and that integrated tasks suffer the construct validity threat posed by test anxiety as much as independent tasks.
Layered Hybrid Selenoantimonates with Reduced Thermal Conductivity
Authors: Chen Yu‐Chu , Yao Hongbin , Thiagarajan Suraj , Wu Min , Emge Thomas J. , Yang Ronggui , Yu Shuhong , Li Jing
Published: October 2012

Four ternary selenoantimonates, Ag2SbSe3(enH) (I), KCu2SbSe3 (II), Cu2SbSe3(pdaH2)0.5 (III), and Cu2SbSe3(bdaH2)0.5 (IV) (en = ethylenediamine, pda = propanediamine, bda = butanediamine) were synthesized by solvothermal reactions using amines as solvents. The structures consist of M/Sb (M = Cu, Ag) intermetallic layers connected by either protonated amines or potassium ions. The optical bandgaps of these compounds were estimated from their optical absorption spectra (Kubelka‐Munk function) with the values ranging from 0.9 to 1.8 eV. Thermal conductivity measurements were carried out on I, III, and IV, as well as on related compounds Cu2SbSe3(en)0.5 and Cu2SbSe3(en). In comparison with the inorganic counterpart compound CuSbSe2, the hybrid structures clearly show significantly reduced thermal conductivity, as a result of incorporation of inorganic‐organic interface. The study demonstrates an effective approach to enhance the thermoelectric efficiency of such material systems.
Mesopores in USY Zeolites II
Authors: Lutz Wolfgang , Enke Dirk , Einicke Wolf‐Dietrich , Täschner Dirk , Kurzhals Rolf
Published: October 2012

Microporous zeolites Na‐Y and K‐Y were converted into the NaNH4‐Y and KNH4‐Y modifications by ion exchange being active in dealumination. Removal of framework aluminium and silicon is accompanied by formation of secondary mesopores. Internal mesopores are formed in the centre of zeolite crystals and external pores at their surface. Formation of mesopores changes the sorption behaviour.Residual alkali metal cations as Na+ or K+ stabilise, however, the framework ≡Si‐O‐Al≡ bonds. Because of inhomogeneous distribution of sodium ions, in NaNH4‐Y less internal but more external mesopores are formed. Potassium ions of KNH4‐Y are more homogeneous distributed over the framework why a more balanced formation of secondary pores takes place.
Muscle fiber‐type distribution, fiber‐type‐specific damage, and the Pompe disease phenotype
Authors: den van Berg L. E. M. , Drost M. R. , Schaart G. , de Laat J. , van Doorn P. A. , van der Ploeg A. T. , Reuser A. J. J.
Published: October 2012

Pompe disease is a lysosomal storage disorder caused by acid α‐glucosidase deficiency and characterized by progressive muscle weakness. Enzyme replacement therapy (ERT) has ameliorated patients’ perspectives, but reversal of skeletal muscle pathology remains a challenge. We studied pretreatment biopsies of 22 patients with different phenotypes to investigate to what extent fiber‐type distribution and fiber‐type‐specific damage contribute to clinical diversity. Pompe patients have the same fiber‐type distribution as healthy persons, but among nonclassic patients with the same GAA mutation (c.‐32‐13T>G), those with early onset of symptoms tend to have more type 2 muscle fibers than those with late‐onset disease. Further, it seemed that the older, more severely affected classic infantile patients and the wheelchair‐bound and ventilated nonclassic patients had a greater proportion of type 2x muscle fibers. However, as in other diseases, this may be caused by physical inactivity of those patients.
Extending the Use of Market Orientation: Transforming a Charity into a Business
Authors: Chad Paul
Published: October 2012

Charities play a crucial role within society but are facing growing competition. Adopting a market orientation assists for-profit organisations to improve performance and can potentially also assist charities. This paper examines the under-researched topic of how market orientation can be appropriately introduced into a charity, and the resultant effect upon performance. A charity that introduced market orientation is examined using a discourse transformation framework. Thematic analysis of in-depth interviews of employees identifies how management changed the organisation through use of a three-phase process of new managerialism, professionalism and embedding. Few if any papers have previously examined how management of a charity can successfully implement a market orientation. The paper thus expands our knowledge regarding implementation of market orientation, utilises a discourse transformation framework for examination of market orientation, and provides charity managers with worthwhile information regarding how market orientation can improve performance – for the benefit of society.
GalX regulates the d‐galactose oxido‐reductive pathway in Aspergillus niger
Authors: Gruben Birgit S. , Zhou Miaomiao , de Vries Ronald P.
Published: October 2012

Galactose catabolism in Aspergillus nidulans is regulated by at least two regulators, GalR and GalX. In Aspergillus niger only GalX is present, and its role in d‐galactose catabolism in this fungus was investigated. Phenotypic and gene expression analysis of a wild type and a galX disruptant revealed that GalX regulates the d‐galactose oxido‐reductive pathway, but not the Leloir pathway in A. niger.
Novel interaction of two clock‐relevant RNA‐binding proteins C3 and XRN1 in Chlamydomonas reinhardtii
Authors: Dathe Hannes , Prager Katja , Mittag Maria
Published: October 2012

XRN1
physically interacts
with
C3
by
anti bait coimmunoprecipitation
(View interaction)
XRN1
physically interacts
with
C3
by
two hybrid
(View interaction)
C1
physically interacts
with
C3
by
two hybrid
(View interaction)
DNA damage‐induced CHK1 autophosphorylation at Ser296 is regulated by an intramolecular mechanism
Authors: Okita Naoyuki , Minato Shota , Ohmi Eri , Tanuma Sei-ichi , Higami Yoshikazu
Published: October 2012

CHK1
phosphorylates
CHK1
by protein kinase assay (View Interaction: 1, 2, 3)
NOXA contributes to the sensitivity of PERK‐deficient cells to ER stress
Authors: Gupta Sanjeev , Giricz Zoltan , Natoni Alessandro , Donnelly Neysan , Deegan Shane , Szegezdi Eva , Samali Afshin
Published: October 2012

PKR‐like ER kinase (PERK) deficient mouse embryonic fibroblasts (MEFs) are hypersensitive to ER stress‐induced apoptosis. However, the molecular determinants of increased sensitivity of PERK−/− MEFs are not clearly understood. Here we show that induction of several Unfolded Protein Response (UPR) target genes is attenuated in PERK−/− MEFs. We also report elevated expression of the BH3‐only protein, NOXA in PERK−/− MEFs. Further, shRNA‐mediated knockdown of NOXA rescued the hypersensitivity of PERK−/− MEFs to ER stress‐induced apoptosis. Taken together our results suggest that compromised induction of UPR and increased NOXA expression contributes to hypersensitivity of PERK−/− MEFs to ER stress‐induced apoptosis.
Phylogenetics and enzymology of plant quiescin sulfhydryl oxidase
Authors: Limor-Waisberg Keren , Alon Assaf , Mehlman Tevie , Fass Deborah
Published: October 2012

Quiescin Sulfhydryl Oxidase (QSOX), a catalyst of disulfide bond formation, is found in both plants and animals. Mammalian, avian, and trypanosomal QSOX enzymes have been studied in detail, but plant QSOX has yet to be characterized. Differences between plant and animal QSOXs in domain composition and active‐site sequences raise the question of whether these QSOXs function by the same mechanism. We demonstrate that Arabidopsis thaliana QSOX produced in bacteria is folded and functional as a sulfhydryl oxidase but does not exhibit the interdomain electron transfer observed for its animal counterpart. Based on this finding, further exploration into the respective roles of the redox‐active sites in plant QSOX and the reason for their concatenation is warranted.
The Junctional Adhesion Molecule‐B regulates JAM‐C‐dependent melanoma cell metastasis
Authors: Arcangeli Marie-Laure , Frontera Vincent , Bardin Florence , Thomassin Jeanne , Chetaille Bruno , Adams Susanne , Adams Ralf H. , Aurrand-Lions Michel
Published: October 2012

Metastasis is a major clinical issue and results in poor prognosis for most cancers. The Junctional Adhesion Molecule‐C (JAM‐C) expressed by B16 melanoma and endothelial cells has been involved in metastasis of tumor cells through homophilic JAM‐C/JAM‐C trans‐interactions. Here, we show that JAM‐B expressed by endothelial cells contributes to murine B16 melanoma cells metastasis through its interaction with JAM‐C on tumor cells. We further show that this adhesion molecular pair mediates melanoma cell adhesion to primary Lung Microvascular Endothelial Cells and that it is functional in vivo as demonstrated by the reduced metastasis of B16 cells in Jam‐b deficient mice.