bluuebunny/crossref_metadata_2025_split huggingface dataset:
First‐Principles Study of NO2 Adsorption on C20 Fullerene
Authors: Baei Mohammad T. 
Published: October 2013

ABSTRACTUsing different density functional theory methods, covalent functionalization of C20 fullerene with the NO2 molecule in terms of energy, geometry, and electronic properties was investigated. It was found that the molecule has strongly chemisorbed on the fullerene surface with Gibbs free energies in the range of −25.23 to −33.07 kcal/mol at the PBE level and −21.03 to −37.95 kcal/mol at the B3LYP level. The HOMO–LUMO gap of the fullerene has changed significantly upon the NO2 adsorption. The Fermi‐level energy and work function of the fullerene are decreased, which may facilitate the field electron emission from the fullerene surface. The present results are expected to provide a useful guidance for the adsorption of NO2, generation of the new hybrid compounds, and other applications.
From Employment Relations to Consumption Relations: Balancing Labor Governance in Global Supply Chains
Authors: Donaghey Jimmy , Reinecke Juliane , Niforou Christina , Lawson Benn 
Published: October 2013

AbstractGlobal supply chains are part of the corporate strategy of many multinational companies, often with adverse effects on labor conditions. While employment relations scholars focus on a production‐oriented paradigm, revolving around interactions among employers, workers, and government, much of the activism motivating the development of private labor standards is based around companies' relations with their consumers. This article proposes an analytical framework conceptualizing the interface of employment relations and consumption relations within global supply chains, identifying four regimes of labor governance: governance gaps, collective bargaining, standards markets, and complementary regimes. Finally, we suggest a research agenda for examining the role of consumption relations in the changing nature of global labor governance. © 2013 Wiley Periodicals, Inc.
MULTIMODAL ASSESSMENT OF THE MOTHER–CHILD RELATIONSHIP IN A SUBSTANCE‐EXPOSED SAMPLE: DIVERGENT ASSOCIATIONS WITH THE EMOTIONAL AVAILABILITY SCALES
Authors: Espinet Stacey D. , Jeong Jessica Jeihyun , Motz Mary , Racine Nicole , Major Danielle , Pepler Debra 
Published: October 2013

ABSTRACTThe aim of this study was to compare ratings of mother–child relationship quality from diverse assessment perspectives. The quality of the mother–child relationship was rated in a sample of 34 mothers with substance‐use difficulties and their children using the Emotional Availability Scales (EAS; Z. Biringen, ), based on videotaped observation of a 20‐min, free‐play session. These ratings were compared to clinician ratings on the Parent–Infant Ratings Global Assessment Scale (PIR‐GAS; ZERO TO THREE, 2005) and maternal ratings on the Parenting Stress Index‐Short Form (PSI‐SF; R.R. Abidin, ). Ratings on the Emotional Attachment and Emotional Availability (EA2) Clinical Screener (EA2 Clinical Screener) and adult dimensions of the EAS (particularly maternal sensitivity), but not child dimensions, were associated with clinician ratings on the PIR‐GAS. In contrast, child dimensions of the EAS, but not adult dimensions, were associated with maternal ratings on the Child scales of the PSI‐SF (particularly parent–child difficult interactions). While clinician ratings seem to be more sensitive to maternal contributions to the relationship, maternal ratings seem to emphasize child behaviors. Results highlight the importance of multimethod assessment in fully capturing the transactional nature of the mother–child relationship in high‐risk samples. The validity of the EA2 Clinical Screener as an index of the quality of mother–child relationship in a high‐risk, substance‐exposed sample is also supported.
Osteoblast response to nanocrystalline calcium hydroxyapatite depends on carbonate content
Authors: Adams Brandy R. , Mostafa Amany , Schwartz Zvi , Boyan Barbara D. 
Published: October 2013

AbstractNormal bone mineral is a carbonated‐apatite, but there are limited data on the effect of mineral containing carbonate on cell response. We characterized surface chemical compositions of three experimental carbonated hydroxyapatite (CO32−HA) substrates and investigated their effect on osteoblast differentiation. Carbonate was incorporated into the hydroxyapatite powders while phosphate and hydroxyl groups were shown to be reduced by analyzing the chemical composition of the substrate surfaces. CO32−HA powders with increasing carbonate concentrations designated as C1 (3.88%), C2 (4.85%), and C3 (5.82%) were molded, pressed, and fired into 14 mm discs. We observed that calcium phosphate ratios increased monotonically with increasing carbonate content, whereas differentiation of MG63 cells decreased. CO32−HA surfaces also affected factor production. Addition of carbonate caused a 70% reduction in osteoprotegerin (OPG) compared to cultures on pure HA, but the effect of carbonate was not dose‐dependent. Low carbonate content reduced VEGF‐A by 80%, but higher levels of carbonate reversed this effect in a concentration dependent manner, with the C3 VEFG‐A levels approximately twice that of C1 levels. These observations collectively indicate that bone cells are sensitive to carbonate content in bone mineral and the effects of carbonate substitution vary with the outcome being measured. Overall, this study provides a preliminary understanding of how carbonate substitution within hydroxyapatite modulates cellular behavior. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 3237–3242, 2014.
Low Bone Mineral Density and Fragility Fractures in Permanent Vegetative State Patients
Authors: Oppl Bastian , Michitsch Gabriele , Misof Barbara , Kudlacek Stefan , Donis Johann , Klaushofer Klaus , Zwerina Jochen , Zwettler Elisabeth 
Published: October 2013

ABSTRACT

Disuse of the musculoskeletal system causes bone loss. Whether patients in vegetative state, a dramatic example of immobilization after severe brain injury, suffer from bone loss and fractures is currently unknown. Serum markers of bone turnover, bone mineral density (BMD) measurements, and clinical data were cross-sectionally analyzed in 30 consecutive vegetative state patients of a dedicated apallic care unit between 2003 and 2007 and compared with age- and sex-matched healthy individuals. Vegetative state patients showed low calcium levels and vitamin D deficiency compared with healthy controls. Serum bone turnover markers revealed high turnover as evidenced by markedly elevated carboxy-terminal telopeptide of type I collagen (β-crosslaps) and increased levels of alkaline phosphatase. BMD measured by dual-energy X-ray absorptiometry (DXA) scanning showed strongly decreased T- and Z-scores for hip and spine. Over a period of 5 years, 8 fragility fractures occurred at peripheral sites in 6 of 30 patients (n = 3 femur, n = 2 tibia, n = 2 fibula, n = 1 humerus). In conclusion, high bone turnover and low BMD is highly prevalent in vegetative state patients, translating into a clinically relevant problem as shown by fragility fractures in 20% of patients over a time period of 5 years. © 2014 American Society for Bone and Mineral Research.
Circulating Levels of Carboxy-Methyl-Lysine (CML) Are Associated With Hip Fracture Risk: The Cardiovascular Health Study
Authors: Barzilay Joshua I , Bůžková Petra , Zieman Susan J , Kizer Jorge R , Djoussé Luc , Ix Joachim H , Tracy Russell P , Siscovick David S , Cauley Jane A , Mukamal Kenneth J 
Published: October 2013

ABSTRACT

Advanced glycation end products (AGE) in bone tissue are associated with impaired biomechanical properties and increased fracture risk. Here we examine whether serum levels of the AGE carboxy-methyl-lysine (CML) are associated with risk of hip fracture. We followed 3373 participants from the Cardiovascular Health Study (age 78 years; range, 68–102 years; 39.8% male) for a median of 9.22 years (range, 0.01–12.07 years). Rates of incident hip fracture were calculated by quartiles of baseline CML levels, and hazard ratios were adjusted for covariates associated with hip fracture risk. A subcohort of 1315 participants had bone mineral density (BMD) measurement. There were 348 hip fractures during follow-up, with incidence rates of hip fracture by CML quartiles of 0.94, 1.34, 1.18, and 1.69 per 100 participant-years. The unadjusted hazard ratio of hip fracture increased with each 1 SD increase (189 ng/mL) of CML level (hazard ratio, 1.27; 95% confidence interval [CI], 1.16–1.40]; p &lt; 0.001). Sequential adjustment for age, gender, race/ethnicity, body mass index (BMI), smoking, alcohol consumption, prevalent coronary heart disease (CHD), energy expenditure, and estimated glomerular filtration rate (based on cystatin C), moderately attenuated the hazard ratio for fracture (1.17; 95% CI, 1.05–1.31; p = 0.006). In the cohort with BMD testing, total hip BMD was not significantly associated with CML levels. We conclude that increasing levels of CML are associated with hip fracture risk in older adults, independent of hip BMD. These results implicate AGE in the pathogenesis of hip fractures. © 2014 American Society for Bone and Mineral Research.
Increased Heterogeneity of Bone Matrix Mineralization in Pediatric Patients Prone to Fractures: A Biopsy Study
Authors: Tamminen Inari S , Misof Barbara M , Roschger Paul , Mäyränpää Mervi K , Turunen Mikael J , Isaksson Hanna , Kröger Heikki , Mäkitie Outi , Klaushofer Klaus 
Published: October 2013

ABSTRACT

Idiopathic osteoporosis (IOP) in children is characterized by fragility fractures and/or low bone mineral density in otherwise healthy individuals. The aim of the present work was to measure bone mineralization density distribution (BMDD) based on quantitative backscattered electron imaging (qBEI) in children with suspected IOP. Entire cross-sectional areas of transiliac bone biopsy samples from children (n = 24, 17 boys; aged 6.7–16.6 years) with a history of fractures (n = 14 with at least one vertebral fracture) were analyzed for cancellous (Cn) and cortical (Ct) BMDD. Outcomes were compared with normal reference BMDD data and correlated with the patients' clinical characteristics and bone histomorphometry findings. The subjects had similar average degree but significantly higher heterogeneity of mineralization in both Cn and Ct bone (Cn.CaWidth +23%, Ct.CaWidth +15%, p &lt; 0.001 and p = 0.002, respectively), together with higher percentages of low mineralized cancellous (Cn.CaLow +35%, p &lt; 0.001) and highly mineralized cortical bone areas (Ct.CaHigh +82%, p = 0.032). Ct.CaWidth and Ct.CaLow were positively correlated with mineralizing surface per bone surface (MS/BS; a primary histomorphometric determinant of bone formation) and with serum bone turnover markers (all p &lt; 0.05). The correlations of the mineralization heterogeneity with histomorphometric and serum bone turnover indices suggest that an enhanced variation in bone turnover/formation contributes to the increased heterogeneity of mineralization. However, it remains unclear whether the latter is cause for, or the response to the increased bone fragility in these children with suspected IOP. © 2014 American Society for Bone and Mineral Research.
Etanercept Administration to Neonatal SH3BP2 Knock-In Cherubism Mice Prevents TNF-α-Induced Inflammation and Bone Loss
Authors: Yoshitaka Teruhito , Ishida Shu , Mukai Tomoyuki , Kittaka Mizuho , Reichenberger Ernst J , Ueki Yasuyoshi 
Published: October 2013

ABSTRACT

Cherubism is a genetic disorder of the craniofacial skeleton caused by gain-of-function mutations in the signaling adaptor protein, SH3-domain binding protein 2 (SH3BP2). In a knock-in mouse model for cherubism, we previously demonstrated that homozygous mutant mice develop T/B cell–independent systemic macrophage inflammation leading to bone erosion and joint destruction. Homozygous mice develop multiostotic bone lesions whereas cherubism lesions in humans are limited to jawbones. We identified a critical role of tumor necrosis factor α (TNF-α) in the development of autoinflammation by creating homozygous TNF-α-deficient cherubism mutants, in which systemic inflammation and bone destruction were rescued. In this study, we examined whether postnatal administration of an anti-TNF-α antagonist can prevent or ameliorate the disease progression in cherubism mice. Neonatal homozygous mutants, in which active inflammation has not yet developed, were treated with a high dose of etanercept (25 mg/kg, twice/week) for 7 weeks. Etanercept-treated neonatal mice showed strong rescue of facial swelling and bone loss in jaws and calvariae. Destruction of joints was fully rescued in the high-dose group. Moreover, the high-dose treatment group showed a significant decrease in lung and liver inflammatory lesions. However, inflammation and bone loss, which were successfully treated by etanercept administration, recurred after etanercept discontinuation. No significant effect was observed in low-dose–treated (0.5 mg/kg, twice/week) and vehicle-treated groups. In contrast, when 10-week-old cherubism mice with fully active inflammation were treated with etanercept for 7 weeks, even the high-dose administration did not decrease bone loss or lung or liver inflammation. Taken together, the results suggest that anti-TNF-α therapy may be effective in young cherubism patients, if treated before the inflammatory phase or bone resorption occurs. Therefore, early genetic diagnosis and early treatment with anti-TNF-α antagonists may be able to prevent or ameliorate cherubism, especially in patients with a mutation in SH3BP2. © 2014 American Society for Bone and Mineral Research.
α‐Fetoprotein is a surrogate marker for predicting treatment failure in telaprevir‐based triple combination therapy for genotype 1b chronic hepatitis C Japanese patients with the IL28B minor genotype
Authors: Shimada Noritomo , Tsubota Akihito , Atsukawa Masanori , Abe Hiroshi , Ika Makiko , Kato Keizo , Sato Yoshiyuki , Kondo Chisa , Sakamoto Choitsu , Tanaka Yasuhito , Aizawa Yoshio 
Published: October 2013

AbstractEven when treated with telaprevir‐based triple therapy, some patients fail to achieve a sustained virological response. This study identified factors related closely to treatment failure. A total of 146 Japanese genotype 1b chronic hepatitis C patients were enrolled in this prospective, multicenter study and received a 24‐week regimen of triple therapy. The end‐of‐treatment response rate was significantly lower in patients with the interleukin 28B (IL28B) (rs8099917) non‐TT genotype (85.2%) than in those with the TT genotype (100%, P = 0.0002). Multiple logistic regression analysis identified high α‐fetoprotein levels as an independent factor related to non‐end‐of‐treatment response in patients with the non‐TT genotype. A cut‐off value of 20 ng/ml was determined for a non‐end‐of‐treatment response; sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV), and accuracy were 75.0%, 95.7%, 75.0%, 75.0%, and 92.6%, respectively. Multiple logistic regression analysis for a sustained virological response identified the IL28B TT genotype, low α‐fetoprotein levels, non‐responders, and a rapid virological response. The sustained virological response rate was significantly lower in patients with the non‐TT genotype (59.3%) than in those with the TT genotype (96.7%, P < 0.0001). In patients with the non‐TT genotype, α‐fetoprotein was the most significant predictor for non‐sustained virological response by univariate analysis. A cut‐off value of 7.4 ng/ml α‐fetoprotein was determined for non‐sustained virological response; sensitivity, specificity, PPV, NPV, and accuracy were 63.6%, 87.5%, 77.8%, 77.8%, and 77.8%, respectively. For the non‐TT patients, serum α‐fetoprotein levels may be a surrogate marker for predicting treatment failure in telaprevir‐based therapy for genotype 1b chronic hepatitis C. J. Med. Virol. 86:461–472, 2014. © 2013 Wiley Periodicals, Inc.
Training Transfer and Transfer Motivation in the Malaysian Banking Sector
Authors: Bhatti Muhammad Awais , Kaur Sharan , Battour Mohamed Mohamed 
Published: October 2013

AbstractA study of 503 participants in a financial training program at 11 Malaysian banks investigated the role and importance of training design factors—transfer design and perceived validity of content—along with individual performance self‐efficacy, transfer motivation, and affective reaction in the training transfer process. As hypothesized, the study found that transfer design and perceived content validity work together to improve trainees' performance self‐efficacy. The study also tested the dual role of perceived content validity and found that it not only improves trainees' performance self‐efficacy level, but also positively influences their affective reaction. Furthermore, the researchers noted that performance self‐efficacy has a mediating influence on perceived content validity, transfer design, and transfer motivation, and that affective reaction plays a mediating role between perceived content validity and transfer motivation. The results also indicated that transfer motivation works as a mediator on performance self‐efficacy, affective reaction, and training transfer. The findings suggest that both researchers and human resources practitioners should address the factors that enhance trainees' performance self‐efficacy level and their affective reaction. © 2013 Wiley Periodicals, Inc.
Kinetic Analysis of Ethyl Iodide Pyrolysis Based on Shock Tube Measurements
Authors: Varga Tamás , Zsély István Gy. , Turányi Tamás , Bentz Tobias , Olzmann Matthias 
Published: October 2013

ABSTRACTThe optimization of a kinetic mechanism of the pyrolysis of ethyl iodide was carried out based on data obtained from reflected shock wave experiments with H‐ARAS and I‐ARAS detection. The analysis took into account also the measurements of Michael et al. (Chem. Phys. Lett. 2000, 319, 99–106) and Vasileiadis and Benson (Int. J. Chem. Kinet. 1997, 29, 915–925) of the reaction H2 + I = H + HI. The following Arrhenius parameters were determined for the temperature range 950–1400 K and the pressure range 1–2 bar: C2H5I → C2H5 + I: log10(A) = 13.53, E/R = 24,472 K; C2H5I → C2H4 + HI: log10(A) = 13.67, E/R = 27,168 K; H + HI → H2 + I: log10(A) = 13.82, E/R = 491 K; C2H5I + H →C2H5 + HI: log10(A) = 15.00, E/R = 2593 K (the units of A are cm3, mol, s). The joint covariance matrix of the optimized Arrhenius parameters was also determined. This covariance matrix was converted to the temperature‐dependent uncertainty parameters f of the rate coefficients and also to the temperature‐dependent correlation coefficients between pairs of rate coefficients. Each fitted rate coefficient was determined with much lower uncertainty compared to the estimated uncertainty of the data available in the literature.
New Hyper‐Crosslinked Partly Conjugated Networks with Tunable Composition by Spontaneous Polymerization of Ethynylpyridines with Bis(bromomethyl)arenes: Synthesis, Spectral Properties, and Activity in CO2 Capture
Authors: Petrášová Sabina , Zukal Arnošt , Brus Jiří , Balcar Hynek , Pastva Jakub , Zedník Jiří , Sedláček Jan 
Published: October 2013

Spontaneous catalyst‐free polymerizations of 4‐ethynylpyridine (4EPy) and 2‐ethynylpyridine with bifunctional quaternizing agents (QAs) of bis(bromomethyl)arenes provide highly crosslinked polymer networks in high yields. 13C cross‐polarization magic‐angle spinning (CP/MAS) NMR, Fourier transform IR (FTIR) and diffuse reflectance vis spectroscopy confirm that these networks consist of polyacetylene main chains substituted with pyridyl and pyridiniumyl groups, the latter interconnected with –CH2(arylene)CH2– linkers. Variation of the 4EPy/QA ratio in the polymerization feed results in networks with different extents of crosslinking and pyridyl/pyridin­iumyl ratio (N/N+ from 0 to 1.32). Networks exhibit photolumi­nescence and are also moderately active in CO2 capture (the highest uptake is 16.4 cm3 (STP) g−1 at 293 K and an equilibrium CO2 pressure of 750 Torr).
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Investigating the Crystal Growth Behavior of Biodegradable Polymer Blend Thin Films Using In Situ Atomic Force Microscopy
Authors: Malwela Thomas , Sinha Ray Suprakas 
Published: October 2013

AbstractThis article reports the crystal growth behavior of biodegradable polylactide (PLA)/poly[(butylene succinate)‐co‐adipate] (PBSA) blend thin films using atomic force microscopy (AFM). Currently, polymer thin films have received increased research attention due to their important role in a variety of technological applications, and crystallization plays a pivotal role in controlling the properties of thin films. Thin films of biodegradable PLA/PBSA blends were prepared on a silicon wafer substrate with a spin coater. The morphology and crystal growth behaviors of films, which were crystallized at different temperatures, were visualized with AFM. The results indicated that the size and distribution of the dispersed phase were directly related to the blend composition. The crystal growth behaviors indicated the presence of both homogeneous and heterogeneous nucleation, and the nature of nucleation was directly related to the blend ratio and the temperature at which crystallization occurred. Therefore, this study will facilitate the understanding of crystal growth behavior in a confined environment and will allow us to modulate the blend properties.
Thermochemical Calculations for Potassium Ferrate(VI), K2FeO4, as a Green Oxidizer in Pyrotechnic Formulations
Authors: Wilharm Caroline K. , Chin Anton , Pliskin Sara K. 
Published: October 2013

AbstractThis paper documents the first‐time assessment of a novel oxidizer, potassium ferrate(VI), as an alternative to perchlorate and hazardous metal‐containing oxidizers in energetic formulations, using thermochemical calculations. Calculations were performed for several different types of pyrotechnic formulations using the NASA Chemical Equilibria with Applications (NASA‐CEA) program. Formulations used in devices including smokes, illuminants, signals, igniters, delays, and flashes were evaluated to determine the feasibility of using potassium ferrate(VI) as an alternative oxidizer. The calculated adiabatic flame temperatures and equilibrium combustion products for the proposed formulations were compared to those of common baseline formulations for different pyrotechnic applications to determine the likelihood of functional success of potassium ferrate(VI)‐based formulations. Based on these initial data, it is highly probable that formulations incorporating potassium ferrate(VI) will result in reactive compositions for a variety of pyrotechnic applications. This material could address environmental concerns about perchlorate and heavy metal contamination by offering an environmentally‐friendly alternative oxidizer.
Bi‐Spectral IRCM‐Flare Formulations based on Tetrazole‐Derivatives
Authors: Brusnahan Jason S. , Fitzgerald Mark , Morgan Michael , Pietrobon Raoul 
Published: October 2013

AbstractThe spectral performance, sensitiveness to ignition stimuli and burning rate of bi‐spectral flare formulations based on tetrazole containing fuels, 5‐phenyl‐1H‐tetrazole, 5,5′‐(1,4‐phenylene)bis(1H‐tetrazole) and 5‐(4‐nitro‐phenyl)‐1H‐tetrazole, utilizing potassium perchlorate as the oxidizer, are reported. The formulation based on 5‐(4‐nitro‐phenyl)‐1H‐tetrazole yielded the highest spectral efficiency in the β‐band (44.1 J g−1 sr−1). The formulation based on 5‐phenyl‐1H‐tetrazole gave the highest color ratio (θβ/α=6.8) and was the least sensitive.