bluuebunny/crossref_metadata_2025 huggingface dataset:
Pyridine‐N‐Oxide 2‐Carboxylic Acid: An Acceptor Group for Organic Sensitizers with Enhanced Anchoring Stability in Dye‐Sensitized Solar Cells
Authors: Cecconi Bianca , Mordini Alessandro , Reginato Gianna , Zani Lorenzo , Taddei Maurizio , Fabrizi de Biani Fabrizia , Angelis Filippo De , Marotta Gabriele , Salvatori Paolo , Calamante Massimo
Published: January 2014

A D‐π‐A organic dye carrying a pyridine‐N‐oxide 2‐carboxylic acid anchoring group (BC1) was synthesized together with two analogs lacking the N‐oxide (BC2) or the carboxylic acid moiety (BC3). The distribution and energy of their molecular orbitals was determined, and modelling of their spectroscopic properties was performed through a TD‐DFT computational study. The photo‐ and electrochemical properties of the dyes were assessed together with their desorption kinetics from nanocrystalline TiO2. In solution, the absorption spectra of dyes BC1 and BC3 were red‐shifted compared with BC2, with the maximum absorption wavelength influenced by the dye protonation level. The 2‐substituted carbonitrile dye BC3 was not adsorbed on the titania surface. On the other hand, the pseudo‐first order desorption rate constants of BC1 and BC2 suggest that BC1 was removed from TiO2 more slowly than BC2 a reference cyanoacrylate dye, demonstrating that simultaneous use of the N‐oxide and the carboxylic acid anchoring functions enhanced the stability of the dye/semiconductor assembly. When used as a photosensitizer for dye‐sensitized solar cells, the photovoltaic performance of BC1 was better than BC2, which corresponds to approx. 66 % of that recorded with the reference dye.
Hydrogenative Dearomatization of Pyridine and an Asymmetric Aza‐Friedel–Crafts Alkylation Sequence
Authors: Wang Shuo‐Guo , You Shu‐Li
Published: January 2014

Highly efficient synthesis of enantiomerically enriched substituted piperidines has been realized via chiral phosphoric acid catalyzed cascade hydrogenative dearomatization of substituted pyridines and aza‐Friedel‐Crafts reaction in good to excellent yields and enantioselectivity.
Adsorption behavior of cocamidopropyl betaine under conditions of high temperature and high salinity
Authors: Dai Caili , Zhao Jianhui , Yan Lipeng , Zhao Mingwei
Published: January 2014

The adsorption behavior of cocamidopropyl betaine (CAB) in aqueous solutions and on sandstone surfaces was studied under the conditions of high temperature and high salinity. In aqueous solutions, as temperature increased from 25 to 90°C and salinity increased from 0 to 115,200 ppm, surface tension and the critical micelle concentration (cmc) of CAB both decreased. In the solid/liquid system, when the CAB concentration of salt solutions reached 0.30 wt %, the static saturation adsorption amount on the surface of clean sands was 14.77 mg g−1 at 90°C. Because of its noticeable saturation adsorption capacity, the adsorption of CAB on the solid/liquid interface agreed with multilayer adsorption. Also, the adsorption amount on the surface of oil sands was greater than on clean sands. Besides, the dynamic saturation adsorption amount and retention amount of 0.07 wt % CAB solution were less than the static adsorption amount. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40424.
Jamming rheology of model cementitious suspensions composed of comb‐polymer stabilized magnesium oxide particles
Authors: Murray Lisa R. , Erk Kendra A.
Published: January 2014

The colloidal microstructure of concentrated suspensions containing anionic comb‐polymer‐stabilized magnesium oxide (MgO) particles in water was analyzed by shear rheometry for indications of changes in particle microstructure based on particle size and comb‐polymer usage. As the suspensions were sheared at different rates, jamming in the sheared MgO suspensions was observed as shear stress overshoots. The shear‐induced evolution of the suspension's microstructure was strongly related to the perceived interactions between neighboring MgO particles in the suspension. In the jammed state, interactions are believed to be enhanced by the formation of entanglements between opposing comb‐polymer side‐chains. Steric repulsion between side‐chains was lessened for large particles on account of their diameters, which further enabled side‐chain entanglement during close particle contact under shear. Suspensions with relatively wide particle size distributions (0.5–400 μm) were theorized to form hydrocluster aggregates, while suspensions with narrower particle size distributions (0.5–40 μm) most likely resulted in networked microstructures under the influence of the chain entanglements from the adsorbed comb‐polymer. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2014,131, 40429.
Synthesis and Biological Evaluation of Novel N‐Alkyl Tetra‐ and Decahydroisoquinolines: Novel Antifungals that Target Ergosterol Biosynthesis
Authors: Krauss Jürgen , Müller Christoph , Kießling Julia , Richter Sabine , Staudacher Verena , Bracher Franz
Published: January 2014

A series of N‐alkyl trans‐decahydroisoquinoline, 1,2,3,4‐tetrahydroisoquinoline, and 6,7‐dimethoxy‐1,2,3,4‐tetrahydroisoquinoline derivatives were synthesized starting from the respective secondary amines by N‐alkylation with alkyl bromides. The compounds with C11‐alkyl chains showed antifungal potency comparable to clotrimazole, and inhibit enzymes of the ergosterol biosynthesis (Δ14‐reductase and Δ8,7‐isomerase), depending on the heterocyclic scaffold and the investigated species.
CTLA‐4Ig–Induced T Cell Anergy Promotes Wnt‐10b Production and Bone Formation in a Mouse Model
Authors: Roser‐Page Susanne , Vikulina Tatyana , Zayzafoon Majd , Weitzmann M. Neale
Published: January 2014

Objective

Rheumatoid arthritis (RA) is an inflammatory autoimmune disease characterized by severe joint erosion and systemic osteoporosis. Chronic T cell activation is a hallmark of RA, and agents that target the CD28 receptor on T cells, which is required for T cell activation, are being increasingly used as therapies for RA and other inflammatory diseases. Lymphocytes play complex roles in the regulation of the skeleton, and although activated T cells and B cells secrete cytokines that promote skeletal decline, under physiologic conditions lymphocytes also have key protective roles in the stabilization of skeletal mass. Consequently, disruption of T cell costimulation may have unforeseen consequences for physiologic bone turnover. This study was undertaken to investigate the impact of pharmacologic CD28 T cell costimulation blockade on physiologic bone turnover and structure.

Methods

C57BL6 mice were treated with CTLA‐4Ig, a pharmacologic CD28 antagonist or with irrelevant control antibody (Ig), and serum biochemical markers of bone turnover were quantified by enzyme‐linked immunosorbent assay. Bone mineral density and indices of bone structure were further measured by dual x‐ray absorptiometry and micro–computed tomography, respectively, and static and dynamic indices of bone formation were quantified using bone histomorphometry.

Results

Pharmacologic disruption of CD28 T cell costimulation in mice significantly increased bone mass and enhanced indices of bone structure, a consequence of enhanced bone formation, concurrent with enhanced secretion of the bone anabolic factor Wnt‐10b by T cells.

Conclusion

Inhibition of CD28 costimulation by CTLA‐4Ig promotes T cell Wnt‐10b production and bone formation and may represent a novel anabolic strategy for increasing bone mass in osteoporotic conditions.
Hand and Foot Surgery Rates in Rheumatoid Arthritis Have Declined From 1986 to 2011, but Large‐Joint Replacement Rates Remain Unchanged: Results From Two UK Inception Cohorts
Authors: Nikiphorou Elena , Carpenter Lewis , Morris Stephen , MacGregor Alex J. , Dixey Josh , Kiely Patrick , James David W. , Walsh David A. , Norton Sam , Young Adam
Published: January 2014

Objective

To assess whether there have been any secular changes in orthopedic interventions in patients with rheumatoid arthritis (RA) since 1986, as examined in 2 early rheumatoid arthritis (RA) inception cohorts with up to 25 years of followup.

Methods

The study examined orthopedic data from the UK Early RA Study (1986–1999, 9 centers; n = 1,465) and the UK Early RA Network (2002–2012, 23 centers; n = 1,236) with linkage to national data sets (Hospital Episode Statistics, National Joint Registry, and Office of National Statistics). Clinical and laboratory measures and hand and foot radiographs were standardized and obtained yearly in both cohorts. The use of disease‐modifying antirheumatic drugs (DMARDs), corticosteroids, and biologic therapies reflected the contemporary conventional practices and guidelines of the time frames examined. Recruitment years were grouped into 6 periods, and interventions were classified into major, intermediate, and minor categories.

Results

A total of 1,602 orthopedic surgical procedures were performed in 770 patients (29%) over a maximum of 25 years of followup. The 25‐year cumulative incidence rate of major interventions was 21.7% (range 19.4–24.0%), and that of intermediate interventions was 21.5% (range 17.8–25.5%). There was a decline in the 10‐year cumulative incidence of intermediate surgeries over time (P < 0.001), but not of major/minor surgery. This decline coincided with a gradual shift from sequential monotherapy to combination DMARD therapies and biologic agents in recent recruitment periods.

Conclusion

Orthopedic surgery is an important and common outcome in RA. Only the rates of hand/foot surgery showed a consistent decline from 1986 to 2011. Possible explanations include differences in the pathophysiologic processes affecting the joints, variations in the responses to therapy between large‐joint and small‐joint destructive processes, and changes in service provision and thresholds for surgery over time.
Targeted Delivery to Cartilage Is Critical for In Vivo Efficacy of Insulin‐like Growth Factor 1 in a Rat Model of Osteoarthritis
Authors: Loffredo Francesco S. , Pancoast James R. , Cai Lei , Vannelli Todd , Dong Jesse Z. , Lee Richard T. , Patwari Parth
Published: January 2014

Objective

Acute articular injuries lead to an increased risk of progressive joint damage and osteoarthritis (OA), and no therapies are currently available to repair or protect the injured joint tissue. Intraarticular delivery of therapeutic proteins has been limited by their rapid clearance from the joint space and lack of retention within cartilage. The aim of this study was to test whether targeted delivery to cartilage by fusion with a heparin‐binding domain would be sufficient to prolong the in vivo function of the insulin‐like growth factor 1 (IGF‐1).

Methods

We produced a humanized and optimized recombinant HB‐IGF‐1 fusion protein. By injecting HB‐IGF‐1, IGF‐1, or saline alone into the knee joints of adult Lewis rats, we tested whether fusion with a heparin‐binding domain 1) altered the kinetics of retention in joint tissues, 2) prolonged functional stimulation as measured by radiolabel incorporation, and 3) enhanced efficacy in a rat model of surgically induced OA, using weekly injections.

Results

Fusion of heparin‐binding domain with IGF‐1 prolonged retention in articular and meniscal cartilage from <1 day to 8 days after injection. Unmodified IGF‐1 had no functional effect 2 days after injection, whereas HB‐IGF‐1 stimulated meniscal cartilage at least 4 days after injection. HB‐IGF‐1, but not IGF‐1, significantly slowed cartilage damage in a rat model of OA.

Conclusion

Heparin‐binding domain fusions can transform rapidly cleared proteins into potential intraarticular therapies by targeting them to cartilage.
Systemic Juvenile Idiopathic Arthritis–like Syndrome in Mice Following Stimulation of the Immune System With Freund's Complete Adjuvant: Regulation by Interferon‐γ
Authors: Avau Anneleen , Mitera Tania , Put Stéphanie , Put Karen , Brisse Ellen , Filtjens Jessica , Uyttenhove Catherine , Van Snick Jacques , Liston Adrian , Leclercq Georges , Billiau An D. , Wouters Carine H. , Matthys Patrick
Published: January 2014

Objective

Systemic juvenile idiopathic arthritis (JIA) is unique among the rheumatic diseases of childhood, given its distinctive systemic inflammatory character. Inappropriate control of innate immune responses following an initially harmless trigger is thought to account for the excessive inflammatory reaction. The aim of this study was to generate a similar systemic inflammatory syndrome in mice by injecting a relatively innocuous, yet persistent, immune system trigger: Freund's complete adjuvant (CFA), containing heat‐killed mycobacteria.

Methods

Given the central role of interferon‐γ (IFNγ) in immune regulation, we challenged wild‐type (WT) and IFNγ‐knockout (KO) BALB/c mice with CFA, and analyzed their clinical symptoms and biologic characteristics. The production of cytokines and the effects of anticytokine antibodies were investigated.

Results

In WT mice, CFA injection resulted in splenomegaly, lymphadenopathy, neutrophilia, thrombocytosis, and increased cytokine expression. In the absence of IFNγ, these symptoms were more pronounced and were accompanied by weight loss, arthritis, anemia, hemophagocytosis, abundance of immature blood cells, and increased levels of interleukin‐6 (IL‐6), all of which are reminiscent of the symptoms of systemic JIA. CFA‐challenged IFNγ‐KO mice showed increased expression of IL‐17 by CD4+ T cells and by innate γ/δ T cells. Inflammatory and hematologic changes were prevented by treatment with anti–IL‐12/IL‐23p40 and anti–IL‐17 antibodies.

Conclusion

Immune stimulation of IFNγ‐KO mice with CFA produces a systemic inflammatory syndrome reflecting the clinical, biologic, and histopathologic picture of systemic JIA. The protective function of IFNγ in preventing anemia and overall systemic inflammation is a striking observation. The finding that both adaptive and innate T cells are important sources of IL‐17 may be of relevance in the pathogenesis of systemic JIA.
Lithium Protects Against Cartilage Degradation in Osteoarthritis
Authors: Minashima Takeshi , Zhang Ying , Lee Youjin , Kirsch Thorsten
Published: January 2014

Objective

To determine the actions of lithium chloride (LiCl) on catabolic events in human articular chondrocytes, and the effects of LiCl on the progression and severity of cartilage degradation in interleukin‐1β (IL‐1β)–treated mouse knee joints and after surgical induction of osteoarthritis (OA) in a mouse model.

Methods

Human articular chondrocytes were treated with LiCl followed by IL‐1β, and the expression levels of catabolic genes were determined by real‐time polymerase chain reaction. To understand the mechanism by which LiCl affects catabolic events in articular chondrocytes after IL‐1β treatment, the activation of NF‐κB was determined using luciferase reporter assays, and the activities of MAPKs and the STAT‐3 signaling pathway were determined by immunoblot analysis of total cell lysates. Cultures of mouse femoral head explants treated with IL‐1β and a mouse model of surgically induced OA were used to determine the effects of LiCl on proteoglycan loss and cartilage degradation.

Results

LiCl treatment resulted in decreased catabolic marker messenger RNA levels and activation of NF‐κB, p38 MAPK, and STAT‐3 signaling in IL‐1β–treated articular chondrocytes. Furthermore, LiCl directly inhibited IL‐6–stimulated activation of STAT‐3 signaling. Consequently, the loss of proteoglycan and severity of cartilage destruction in LiCl‐treated mouse knee joints 8 weeks after OA induction surgery or in LiCl‐treated mouse femoral head explants after IL‐1β treatment were markedly reduced compared to that in vehicle‐treated joints or explants.

Conclusion

LiCl reduced catabolic events in IL‐1β–treated human articular chondrocytes and attenuated the severity of cartilage destruction in IL‐1β–treated mouse femoral head explants and in the knee joints of mice with surgically induced OA, acting via inhibition of the activities of the NF‐κB, p38, and STAT‐3 signaling pathways.
Interleukin‐17+CD8+ T Cells Are Enriched in the Joints of Patients With Psoriatic Arthritis and Correlate With Disease Activity and Joint Damage Progression
Authors: Menon Bina , Gullick Nicola J. , Walter Gina J. , Rajasekhar Megha , Garrood Toby , Evans Hayley G. , Taams Leonie S. , Kirkham Bruce W.
Published: January 2014

Objective

Psoriatic arthritis (PsA) is associated with HLA class I genes, in contrast to the association with HLA class II in rheumatoid arthritis (RA). Since IL‐17+ cells are considered important mediators of synovial inflammation, we sought to determine whether IL‐17–producing CD8+ T cells may be found in the joints of patients with PsA and whether these cells might contribute to the disease process.

Methods

Mononuclear cells from paired samples of synovial fluid (SF) and peripheral blood (PB) from patients with PsA or patients with RA were stimulated ex vivo, and CD4− T cells were examined by flow cytometry for cytokine expression, cytotoxic markers, and frequencies of γ/δ or mucosal‐associated invariant T cells. Clinical measures of arthritis activity (C‐reactive protein [CRP] level, erythrocyte sedimentation rate [ESR], Disease Activity Score in 28 joints [DAS28]) and power Doppler ultrasound (PDUS) scores for the presence of active synovitis in the aspirated knee were recorded and assessed for correlations with immunologic markers.

Results

Within the CD3+ T cell compartment, both IL‐17+CD4− (predominantly CD8+) and IL‐17+CD4+ T cells were significantly enhanced in the SF compared to the PB of patients with PsA (P = 0.0003 and P = 0.002, respectively; n = 21), whereas in patients with RA, only IL‐17+CD4+ T cells were increased in the SF compared to the PB (P = 0.008; n = 14). The frequency of IL‐17+CD4− T cells in PsA SF was positively correlated with the CRP level (r = 0.52, P = 0.01), ESR (r = 0.59, P = 0.004), and DAS28 (r = 0.52, P = 0.01), and was increased in patients with erosive disease (P < 0.05). In addition, the frequency of IL‐17+CD4− T cells positively correlated with the PDUS score, a marker for active synovitis (r = 0.49, P = 0.04).

Conclusion

These results show, for the first time, that the PsA joint, but not the RA joint, is enriched for IL‐17+CD8+ T cells. Moreover, the findings reveal that the levels of this T cell subset are correlated with disease activity measures and the radiographic erosion status after 2 years, suggesting a previously unrecognized contribution of these cells to the pathogenesis of PsA.
Identification of New Citrulline‐Specific Autoantibodies, Which Bind to Human Arthritic Cartilage, by Mass Spectrometric Analysis of Citrullinated Type II Collagen
Authors: Haag Sabrina , Schneider Nadine , Mason Daniel E. , Tuncel Jonatan , Andersson Ida E. , Peters Eric C. , Burkhardt Harald , Holmdahl Rikard
Published: January 2014

Objective

To investigate type II collagen (CII) as a joint‐specific target of the anti–citrullinated protein antibody (ACPA) response in rheumatoid arthritis (RA).

Methods

Potential citrullinated neoepitopes were identified by high‐resolution tandem mass spectrometry (MS/MS) of in vitro peptidylarginine deiminase 2 (PAD‐2)–treated CII, and the relationship between citrullination and CII conformation was investigated by circular dichroism and conformation‐dependent antibodies. Based on the MS analyses, synthetic peptides were designed and analyzed for serum IgG reactivity in the Epidemiological Investigation of RA (EIRA) case–control cohort of 1,949 RA patients and 278 healthy controls. Peptide‐specific antibodies were purified from RA patient serum and used to stain RA cartilage specimens.

Results

We described the conformation‐dependent citrullination pattern of CII after PAD‐2 treatment at room temperature and 37°C and showed that CII could be citrullinated in its native triple‐helical conformation. Screening of Arg and Cit pairs of synthetic peptides revealed new citrullinated B cell epitopes on CII. Antibodies directed to 2 proximal epitopes close to the C‐terminus of the CII triple helix were recognized by autoantibodies in 21% and 17% of RA patients, respectively. Affinity‐purified antibodies from RA sera directed to these 2 epitopes, but not antibodies directed to citrullinated α‐enolase peptide 1, bound to RA cartilage.

Conclusion

These findings suggest that cartilage‐directed anticitrulline immunity contributes to the induction of joint inflammation in RA.
A good normalized impact and concentration measure
Authors: Egghe Leo
Published: January 2014

It is shown that a normalized version of the g‐index is a good normalized impact and concentration measure. A proposal for such a measure by Bartolucci is improved.
Few‐Layer Borocarbonitride Nanosheets: Platinum‐Free Catalyst for the Oxygen Reduction Reaction
Authors: Moses Kota , Kiran Vankayala , Sampath S. , Rao C. N. R.
Published: January 2014

The present study demonstrates the use of few‐layer borocarbonitride nanosheets synthesized by a simple method as non‐platinum cathode catalysts for the oxygen reduction reaction (ORR) in alkaline medium. Composition‐dependent ORR activity is observed and the best performance was found when the composition was carbon‐rich. Mechanistic aspects reveal that ORR follows the 4 e− pathway with kinetic parameters comparable to those of the commercial Pt/C catalyst. Excellent methanol tolerance is observed with the BCN nanosheets unlike with Pt/C.
Phosphane‐Catalyzed [4+1] Annulation between Nitroalkenes and Morita–Baylis–Hillman Carbonates: Facile Synthesis of Isoxazoline N‐Oxides by Phosphorus Ylides
Authors: Zhou Rong , Duan Chong , Yang Changjiang , He Zhengjie
Published: January 2014

A phosphane‐catalyzed [4+1] annulation between nitroalkenes and Morita–Baylis–Hillman carbonates has been realized; this provides facile and diastereoselective access to polysubstituted isoxazoline N‐oxides in moderate to excellent yields. In the annulation, an in situ formed allylic phosphorus ylide presumably serves as a pivotal active intermediate. This reaction accordingly represents the first example of phosphorus ylide initiated [4+1] cyclization of nitroalkenes to give isoxazoline N‐oxides.
Autoregressive model for a finite random sequence on the unit circle for investigating the fluctuations of residual stresses in the rims of new railroad wheels
Authors: Koshulyan Alexey V. , Malajchuk Valentin P.
Published: January 2014

This paper presents an autoregressive model for a finite sequence of random variables that are observed at points equally spaced on the unit circle. The proposed model is an extension of the well‐known autoregressive model of time series. We demonstrate that this model amounts to a linear transformation of a vector of independent and identically distributed random variables. The second‐order properties of the multivariate distribution were examined. The least squares estimators of the model parameters were obtained. The connection between the proposed first‐order model and a second‐order, stationary, mean‐square‐continuous, real‐valued random process on the unit circle was considered. We used the model presented to describe the fluctuations of hoop residual stresses in the rims of new railroad wheels. The stress measurement was performed using an ultrasonic method. The stress fluctuation model allowed us to determine the number of measurement points required to assess residual stress levels in the wheels. Copyright © 2014 John Wiley & Sons, Ltd.
Surface display of small peptides on Escherichia coli for enhanced calcite precipitation rates
Authors: Patel Tushar N. , Alissa Park Ah‐Hyung , Banta Scott
Published: January 2014

Mineralization has emerged as a promising strategy for long‐term carbon sequestration. These processes involve carbon dioxide hydration followed by mineral precipitation. We have explored the production of whole‐cell biocatalysts engineered with carbonic anhydrase (CA) activity to accelerate the CO2 hydration reaction. In this study, short polypeptides were displayed on the surface of E. coli cells and whole‐cell biocatalysts containing periplasmically expressed CAs in an attempt to enhance calcite mineral formation. It was found that cells coexpressing recombinant periplasmic CA and surface‐displayed GPA peptide (PEVPEGAFDTAI) outperformed other peptide‐expressing biocatalysts evaluated in terms of the amount of precipitate formed, as well as the overall formation rate of solids. Cells expressing the Cab CA isoform (BLR‐pCab) and Cam isoform (BLR‐pCam) with the surface‐displayed GPA peptide exhibited 36 and 59% improvements in precipitation amounts, as well as 18 and 60% improvements in overall formation rates, respectively, over similar biocatalysts without GPA expression. The biocatalyst with the best performance was BLR‐pCam/GPA, which generated 0.15 g of CaCO3, while BLR cells generated only 0.08 g of CaCO3 under the same small batch reaction conditions. The BLR‐pCam/GPA cells also exhibited the fastest formation rates, achieving the maximum change in solution turbidity after only 2.2 min, as opposed to 6.3 min for BLR cells. These results demonstrate that synthetic biology approaches can be used to create novel biocatalysts with the ability to enhance both catalysis and precipitation activities. © 2014 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 102: 191–196, 2014.
Mid-term cost-effectiveness analysis of open and endovascular repair for ruptured abdominal aortic aneurysm
Authors: Rollins K E , Shak J , Ambler G K , Tang T Y , Hayes P D , Boyle J R
Published: January 2014

Background

Emergency endovascular repair (EVAR) for ruptured abdominal aortic aneurysm (rAAA) may have lower operative mortality rates than open surgical repair. Concerns remain that the early survival benefit after EVAR for rAAA may be offset by late reinterventions. The aim of this study was to compare reintervention rates and cost-effectiveness of EVAR and open repair for rAAA.

Methods

A retrospective analysis was undertaken of patients with rAAA undergoing EVAR or open repair over 6 years. A health economic model developed for the cost-effectiveness of elective EVAR was used in the emergency setting.

Results

Sixty-two patients (mean age 77·9 years) underwent EVAR and 85 (mean age 75·9 years) had open repair of rAAA. Median follow-up was 42 and 39 months respectively. There was no significant difference in 30-day mortality rates after EVAR and open repair (18 and 26 per cent respectively; P = 0·243). Reintervention rates were also similar (32 and 31 per cent; P = 0·701). The mean cost per patient was €26 725 for EVAR and €30 297 for open repair, and the cost per life-year gained was €7906 and €9933 respectively (P = 0·561). Open repair had greater initial costs: longer procedural times (217 versus 178·5 min; P < 0·001) and intensive care stay (5·0 versus 1·0 days; P = 0·015). Conversely, EVAR had greater reintervention (€156 939 versus €35 335; P = 0·001) and surveillance (P < 0·001) costs.

Conclusion

There was no significant difference in reintervention rates after EVAR or open repair for rAAA. EVAR was as cost-effective at mid-term follow-up. The increased procedural costs of open repair are not outweighed by greater surveillance and reintervention costs after EVAR.
Mine simulation for educational purposes: A case study
Authors: Akkoyun Ozgur , Careddu Nicola
Published: January 2014

This paper presents a new simulation‐based computer program that provides an interactive and visual environment for teaching and learning of mining engineering related subjects. An actual open pit magnesite mine was selected and whole simulation data were obtained from this mine in order to create a simulation application. The program represents this open pit mine in detail using more than hundred variables, 14 windows, and several modules. It is believed that, with its all components, this educational tool can be used for several mining‐related subjects such as drilling and blasting, excavation and haulage, size reduction and magnetic separation at universities to provide fundamental information to the students and anyone dealing with mining engineering related subjects. It may also be used for mining related departments such as geology and geophysics for giving brief information about mining. © 2014 Wiley Periodicals, Inc. Comput Appl Eng Educ 23:286–293, 2015; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21598
Well‐Directed Adjusting of Graining and Mechanical Strength of Lignite Granules
Authors: Fehse Franz , Herdegen Volker , Schröder Hans‐Werner , Repke Jens‐Uwe
Published: January 2014

Braunkohlengranulate mit gleichmäßiger Körnung und hoher Festigkeit können als neuartige Produkte vielseitigen Verwendungen zugeführt werden. Neben dem Einsatz als kleinstückiger Brennstoff rückt insbesondere die stoffliche Nutzung, zum Beispiel als Dämmstoff oder Adsorbens zur SO2‐Abscheidung, in den Fokus der Forschung. Zur Herstellung qualitativ hochwertiger Granulate ist es notwendig, Wechselwirkungen der Prozessparameter auf die Granulatqualität zu kennen. Im Folgenden werden der Einfluss der Zerkleinerungsart der Rohkohle und des Dampfanteils sowie der Dampfzugabedauer auf die Granulatqualität systematisch untersucht.
Design and Synthesis of C3‐Pyrazole/Chalcone‐Linked Beta‐Carboline Hybrids: Antitopoisomerase I, DNA‐Interactive, and Apoptosis‐Inducing Anticancer Agents
Authors: Kamal Ahmed , Srinivasulu Vunnam , Nayak V. Lakshma , Sathish Manda , Shankaraiah Nagula , Bagul Chandrakant , Reddy N. V. Subba , Rangaraj Nandini , Nagesh Narayana
Published: January 2014

A series of β‐carboline hybrids bearing a substituted phenyl and a chalcone/(N‐acetyl)‐pyrazole moiety at the C1 and C3 positions, respectively, was designed, synthesized, and evaluated for anticancer activity. These new hybrid molecules showed significant cytotoxic activity, with IC50 values ranging from <2.0 μM to 80 μM, and the structure–activity relationships (SAR) associated with substitutions at positions 1 and 3 of these hybrids was clearly addressed. Further, induction of apoptosis was confirmed by Annexin V‐FITC, Hoechst staining, and DNA fragmentation analysis. In addition, DNA photocleavage studies proved that two of the hybrids, (E)‐1‐(furan‐2‐yl)‐3‐(1‐(4‐(trifluoromethyl)phenyl)‐9H‐pyrido[3,4‐b]indol‐3‐yl)prop‐2‐en‐1‐one (7 d) and 1‐(3‐(furan‐2‐yl)‐5‐(1‐(4‐(trifluoromethyl)phenyl)‐9H‐pyrido[3,4‐b]indol‐3‐yl)‐4,5‐dihydro‐1H‐pyrazol‐1‐yl)ethanone (8 d) could effectively cleave pBR322 plasmid DNA upon irradiation with UV light. Active hybrid 8 d inhibited DNA topoisomerase I activity efficiently and preserved DNA in the supercoiled form. To further corroborate the biological activities, as well as to understand the nature of the interaction of these hybrids with DNA, spectroscopic studies were also performed. Unlike simple β‐carboline alkaloids, the binding mode of these new hybrid molecules with DNA was not similar, and both biophysical as well as molecular docking studies speculated a combilexin‐type of interaction with DNA. Further, an in silico study of these β‐carboline hybrids revealed their drug‐like properties.
Prospective Virtual Screening in a Sparse Data Scenario: Design of Small‐Molecule TLR2 Antagonists
Authors: Murgueitio Manuela S. , Henneke Philipp , Glossmann Hartmut , Santos‐Sierra Sandra , Wolber Gerhard
Published: January 2014

Toll‐like receptors (TLRs) are critical signaling molecules with roles in various severe clinical conditions such as sepsis and rheumatoid arthritis, and have therefore been advocated as promising drug targets for the treatment of these diseases. The aim of this study was to discover small‐molecule antagonists of TLR2 by computer‐aided drug design. This goal poses several challenges due to the lack of available data on TLR2 modulators. To overcome these hurdles we developed a combined structure‐ and ligand‐based virtual screening approach. First, we calculated molecular interaction fields of the TLR2 binding site to derive a structure‐based 3D pharmacophore, which was then used for virtual screening. We then performed a two‐step shape‐ and feature‐based similarity search using known TLR2 ligands as query structures. A selection of virtual screening hits was biologically tested in a cell‐based assay for TLR2 signaling inhibition, leading to the identification of several compounds with antagonistic activity (IC50 values) in the low‐micromolar range.
Recent advances in ytterbium‐based contrast agents for in vivo X‐ray computed tomography imaging: promises and prospects
Authors: Liu Yanlan , Liu Jianhua , Ai Kelong , Yuan Qinghai , Lu Lehui
Published: January 2014

X‐ray computed tomography (CT) imaging is one of the most widely used diagnostic imaging techniques in the clinic, and has raised significant interest in recent years both in research and practice owing to its many advantages such as deep penetration depth, high resolution and facile image processing. Developing heavy metal‐based CT contrast agents, especially heavy metal‐containing nanoparticulate CT contrast agents, has become a key focus in research fields to address issues of clinical iodinated agents involving short circulation time, low contrast efficiency and potential renal toxicity. In this review, we summarize the development of ytterbium (Yb)‐based CT contrast agents and highlight the design and applications of Yb‐based nanoparticulate CT contrast agents. Yb has high atomic number and higher abundance in the earth's crust relative to Au, Ta and Bi, which have received much attention as a CT contrast agents. In particular, in contrast to these metal elements, as well as I, Yb has K‐edge energy that is located just within the higher‐intensity region of X‐ray spectra, which can induce significant enhancement in the contrast efficiency. When encapsulated in nanoparticles, Yb can remain in the circulation for a long time. This long in vivo circulation time, combined with the proper K‐edge energy and a large absorption cross‐section of Yb in the near‐infrared region, makes Yb‐based nanoparticles particularly promising in angiography, ‘multicolor’ spectral CT imaging, and multimodal imaging. Finally, we also discuss the prospects and the challenges in the development of Yb‐based CT contrast agents. Copyright © 2014 John Wiley & Sons, Ltd.
Nanoparticle contrast agents for computed tomography: a focus on micelles
Authors: Cormode David P. , Naha Pratap C. , Fayad Zahi A.
Published: January 2014

Computed tomography (CT) is an X‐ray‐based whole‐body imaging technique that is widely used in medicine. Clinically approved contrast agents for CT are iodinated small molecules or barium suspensions. Over the past seven years there has been a great increase in the development of nanoparticles as CT contrast agents. Nanoparticles have several advantages over small molecule CT contrast agents, such as long blood‐pool residence times and the potential for cell tracking and targeted imaging applications. Furthermore, there is a need for novel CT contrast agents, owing to the growing population of renally impaired patients and patients hypersensitive to iodinated contrast. Micelles and lipoproteins, a micelle‐related class of nanoparticle, have notably been adapted as CT contrast agents. In this review we discuss the principles of CT image formation and the generation of CT contrast. We discuss the progress in developing nontargeted, targeted and cell tracking nanoparticle CT contrast agents. We feature agents based on micelles and used in conjunction with spectral CT. The large contrast agent doses needed will necessitate careful toxicology studies prior to clinical translation. However, the field has seen tremendous advances in the past decade and we expect many more advances to come in the next decade. Copyright © 2014 John Wiley & Sons, Ltd.
Randomized clinical trial of therapeutic music video intervention for resilience outcomes in adolescents/young adults undergoing hematopoietic stem cell transplant: A report from the Children's Oncology Group
Authors: Robb Sheri L. , Burns Debra S. , Stegenga Kristin A. , Haut Paul R. , Monahan Patrick O. , Meza Jane , Stump Timothy E. , Cherven Brooke O. , Docherty Sharron L. , Hendricks‐Ferguson Verna L. , Kintner Eileen K. , Haight Ann E. , Wall Donna A. , Haase Joan E.
Published: January 2014

BACKGROUND

To reduce the risk of adjustment problems associated with hematopoietic stem cell transplant (HSCT) for adolescents/young adults (AYAs), we examined efficacy of a therapeutic music video (TMV) intervention delivered during the acute phase of HSCT to: 1) increase protective factors of spiritual perspective, social integration, family environment, courageous coping, and hope‐derived meaning; 2) decrease risk factors of illness‐related distress and defensive coping; and 3) increase outcomes of self‐transcendence and resilience.

METHODS

This was a multisite randomized, controlled trial (COG‐ANUR0631) conducted at 8 Children's Oncology Group sites involving 113 AYAs aged 11‐24 years undergoing myeloablative HSCT. Participants, randomized to the TMV or low‐dose control (audiobooks) group, completed 6 sessions over 3 weeks with a board‐certified music therapist. Variables were based on Haase's Resilience in Illness Model (RIM). Participants completed measures related to latent variables of illness‐related distress, social integration, spiritual perspective, family environment, coping, hope‐derived meaning, and resilience at baseline (T1), postintervention (T2), and 100 days posttransplant (T3).

RESULTS

At T2, the TMV group reported significantly better courageous coping (Effect Size [ES], 0.505; P = .030). At T3, the TMV group reported significantly better social integration (ES, 0.543; P = .028) and family environment (ES, 0.663; P = .008), as well as moderate nonsignificant effect sizes for spiritual perspective (ES, 0.450; P = .071) and self‐transcendence (ES, 0.424; P = .088).

CONCLUSIONS

The TMV intervention improves positive health outcomes of courageous coping, social integration, and family environment during a high‐risk cancer treatment. We recommend the TMV be examined in a broader population of AYAs with high‐risk cancers. Cancer 2014;120:909–917. © 2013 American Cancer Society.
Mixed Quantum‐Classical Description of Excitation Energy Transfer in Supramolecular Complexes: Screening of the Excitonic Coupling
Authors: Megow Jörg , Renger Thomas , May Volkhard
Published: January 2014

A mixed quantum‐classical description of excitation energy transfer (EET) in large chromophore complexes with significant conformational flexibility is improved by considering screening and local‐field effects. To account for the environmentally induced modification of the excitonic coupling Jmn(ε>1) between chromophore m and n, the Poisson‐transition‐charges‐from‐electrostatic‐potential (Poisson‐TrEsp) method is utilized. A parameterization scheme for the such derived screening/local field factors is introduced, which allows for their incorporation to a mixed quantum‐classical description. The method is applied to the supramolecular complex P16 formed by sixteen pheophorbide‐a molecules covalently linked to a butanediamine dendrimer and dissolved in ethanol. Data calculated using the novel parameterized screening method are compared to those obtained by alternative screening approaches. Averaging the screening factors in different ways may reproduce ensemble experiments on EET well, while the description of single molecule properties requires the consideration of individual screening factors.
Mobility Analysis of Super‐Resolved Proteins on Optically Stretched DNA: Comparing Imaging Techniques and Parameters
Authors: Heller Iddo , Sitters Gerrit , Broekmans Onno D. , Biebricher Andreas S. , Wuite Gijs J. L. , Peterman Erwin J. G.
Published: January 2014

Fluorescence microscopy in conjunction with optical tweezers is well suited to the study of protein mobility on DNA. Here, we evaluate the benefits and drawbacks of super‐resolution and conventional imaging techniques for the analysis of one‐dimensional (1D) protein diffusion as commonly observed for DNA‐binding proteins. In particular, we demonstrate the visualization of DNA‐bound proteins using wide‐field, confocal, and stimulated emission depletion (STED) microscopy. We review the suitability of these techniques to conditions of high protein density, and quantify their performance in terms of spatial and temporal resolution. Tracking proteins on DNA forces one to make a choice between localization precision on the one hand, and the number and rate of localizations on the other, by altering imaging modality, excitation intensity, and acquisition rate. Using simulated diffusion data, we quantify the effect of these imaging conditions on the accuracy of 1D diffusion analysis. In addition, we consider the case of diffusion confined between local roadblocks, a case particularly relevant for proteins bound to DNA. Together these results provide guidelines that can assist in judiciously optimizing the experimental conditions required for the analysis of protein mobility on DNA and other 1D systems.
From the Molecular Structure to Spectroscopic and Material Properties: Computational Investigation of a Bent‐Core Nematic Liquid Crystal
Authors: Greco Cristina , Marini Alberto , Frezza Elisa , Ferrarini Alberta
Published: January 2014

We present a computational investigation of the nematic phase of the bent‐core liquid crystal A131. We use an integrated approach that bridges density functional theory calculations of molecular geometry and torsional potentials to elastic properties through the molecular conformational and orientational distribution function. This unique capability to simultaneously access different length scales enables us to consistently describe molecular and material properties. We can reassign13C NMR chemical shifts and analyze the dependence of phase properties on molecular shape. Focusing on the elastic constants we can draw some general conclusions on the unconventional behavior of bent‐core nematics and highlight the crucial role of a properly‐bent shape.
Evaluation of Limiting Factors Affecting Photovoltaic Performance of Low‐Temperature‐Processed TiO2 Films in Dye‐Sensitized Solar Cells
Authors: Lee Taek‐Yong , Kim Hui‐Seon , Park Nam‐Gyu
Published: January 2014

Limiting factors affecting photovoltaic performance of dye‐sensitized solar cell employing low‐temperature‐processed TiO2 films were investigated. TiO2 films were prepared at a low temperature of 200 °C using the normal alcohol‐containing binder‐free TiO2 paste (LT200). Their photovoltaic performance was compared to a high‐temperature (550 °C) annealed TiO2 film prepared using a polymer binder containing TiO2 paste (HT550). Compared to the proportional increase in conversion efficiency with TiO2 film thickness upto 14 μm for HT550, the increase in efficiency was terminated at relatively smaller thickness of about 8 μm for LT200 mainly due to unaugmented photocurrent. From the transient photocurrent–voltage studies, the electron transport rate was found to be almost identical, while charge recombination was one order of magnitude faster for LT200. Consequently, the electron diffusion length was more than 2–3 times shorter for LT200 than for HT550. Electron diffusion length and electron life time obtained from electrochemical impedance analysis were well consistent with those observed from transient measurement. Density of states (DOS) was evaluated to be shallow and narrow in LT200, which was responsible for limiting photovoltaic performance in the low‐temperature processed TiO2 film.
Research on the memory order of the power‐line communication channel
Authors: Zhai Ming‐Yue , Su Ling‐Dong
Published: January 2014

As a memory channel, power‐line communication (PLC) channel can be modeled by the finite states Morkov model. The memory order in an finite states Morkov model is a key parameter, which is not solved in PLC systems yet. In the paper, the mutual information is used as a measure of the dependence between the different symbols, treated as the received scalar network analyzer, or amplitude of the current channel symbol or that of previous symbols. The joint distribution probabilities of the envelopes in PLC systems are computed based on the multi‐path channel model, which is commonly used in PLC. With the first‐order Markovian assumption, we confirm that given the information of the symbol immediately preceding the current one, any other previous symbol is independent of the current one in PLC systems. The field test is also performed to model the received OFDM signals with the help of autoregressive model. The results show that the first‐order autoregressive model is enough to model the fading channel in PLC systems, which means the amount of uncertainty remaining in the current symbol should be negligible, given the information corresponding to the immediately preceding one. Copyright © 2014 John Wiley & Sons, Ltd.
Ca2+‐related signaling events influence TLR9‐induced IL‐10 secretion in human B cells
Authors: Ziegler Saskia , Gartner Katrin , Scheuermann Uwe , Zoeller Tanja , Hantzschmann Julia , Over Benjamin , Foermer Sandra , Heeg Klaus , Bekeredjian‐Ding Isabelle
Published: January 2014

Suppressory B‐cell function controls immune responses and is mainly dependent on IL‐10 secretion. Pharmacological manipulation of B‐cell‐specific IL‐10 synthesis could, thus, be therapeutically useful in B‐cell chronic lymphocytic leukemia, transplantation, autoimmunity and sepsis. TLR are thought to play a protagonistic role in the formation of IL‐10‐secreting B cells. The aim of the study was to identify the molecular events selectively driving IL‐10 production in TLR9‐stimulated human B cells. Our data highlight the selectivity of calcineurin inhibitors in blocking TLR9‐induced B‐cell‐derived IL‐10 transcription and secretion, while IL‐6 transcription and release, B‐cell proliferation, and differentiation remain unaffected. Nevertheless, TLR9‐induced IL‐10 production was found to be independent of calcineurin phosphatase activity and was even negatively regulated by NFAT. In contrast to TLR9‐induced IL‐6, IL‐10 secretion was highly sensitive to targeting of spleen tyrosine kinase (syk) and Bruton's tyrosine kinase. Further analyses demonstrated increased phosphorylation of Ca2+/calmodulin kinase II (CaMKII) in TLR9‐stimulated B cells and selective reduction of TLR9‐induced secretion of IL‐10 upon treatment with CaMKII inhibitors, with negligible impact on IL‐6 levels. Altogether, our results identify calcineurin antagonists as selective inhibitors of IL‐10 transcription and syk/Bruton´s tyrosine kinase‐induced Ca2+/calmodulin‐ and CaMKII‐dependent signaling as a pathway regulating the release of TLR9‐induced B‐cell‐derived IL‐10.
Alkane Elimination Reactions between Yttrium Alkyls and Tungsten Hydrides
Authors: Sobaczynski Adam P. , Obenauf Johannes , Kempe Rhett
Published: January 2014

Alkane elimination of the yttrium monoalkyl [Cp2Y(CH2SiMe3)(thf)] (Cp = cyclopentadienyl, thf = tetrahydrofuran, Me = methyl) with the tungsten hydrido carbonyl complex [HW(CO)3Cp] in THF gave rise to the trinuclear complex [{CpW(CO)2(μ‐CO)}2YCp(thf)3] (1). In the course of the reaction, one Cp ligand per yttrium was redistributed, thus leading to the formation of [Cp3Y] as a side product. To avoid the observed ligand redistribution, other solvents were investigated. The reaction of [Cp2Y(CH2SiMe3)(thf)] with [HW(CO)3Cp] in acetonitrile afforded the dinuclear complex [{CpW(CO)2(μ‐CO)}YCp2(NCMe)2] (2). The reaction of the yttrium dialkyl complex [Y(CH2SiMe3)2(OC6H3tBu2‐2,6)(thf)2] with [HW(CO)3Cp] in toluene gave the polymeric compound [{CpW(CO)2(μ‐CO)}2Y(OC6H3tBu2‐2,6)]n (3), whereas reaction in THF gave the molecular compound [{CpW(CO)2(μ‐CO)}2Y(OC6H3tBu2‐2,6)(thf)3] (4). The reaction of the yttrium trialkyl complex [Y(CH2SiMe3)3(thf)2] with [HW(CO)3Cp] in THF led to the formation of [{CpW(CO)2(μ‐CO)}3Y(thf)5] (5). Reaction of [(Ap*)Y(CH2SiMe3)2(thf)] {Ap*H = (2,6‐diisopropylphenyl)‐[6‐(2,4,6‐triisopropylphenyl)pyridin‐2‐yl]amine} with [HW(CO)3Cp] in THF was unexpectedly accompanied by the loss of the Ap* ligand and resulted in the formation of 5 too. Isocarbonyl linkage is the dominating interaction between the Y and the W complex moieties. All compounds were characterized by NMR and IR spectroscopy as well as elemental analysis. Complexes 1, 2, 4, and 5 were additionally characterized by X‐ray crystal structure analysis (X‐ray diffraction).