bluuebunny/crossref_metadata_2025 huggingface dataset:
Viscoelastic and thermal decomposition behaviors of polytetrahydrofuran binder prepared using glycerin as a crosslinking modifier
Authors: Kohga Makoto , Naya Tomoki , Shioya Shingo
Published: August 2012

Polytetrahydrofuran (PTHF) is an effective binder ingredient used for improving the performance of propellants. PTHF becomes sufficiently rubbery for use as a binder with the addition of an adequate crosslinking modifier. This study investigated the viscoelastic and thermal decomposition behaviors of the PTHF binder prepared using glycerin as a crosslinking modifier, as well as the influence of the molecular weight of PTHF on the characteristics of the PTHF binder. The curing behavior of the PTHF binder was suitable for the manufacture of propellants, and the superior tensile properties of the PTHF binder made it suitable for use as a propellant binder. The degree of crosslinking of the samples decreased as the molecular weight of the PTHF increased. The PTHF binder has unique dynamic mechanical properties owing to its melting and chemical structure, and these properties were dependent on the molecular weight of PTHF. The glass transition temperature (Tg) and the loss tangent at Tg decreased as the molecular weight of the PTHF increased. The temperature and frequency dependence of the PTHF binder were influenced by the melting point of PTHF. The viscoelastic properties of the binder prepared using PTHF with a molecular weight of 650 followed the time–temperature superposition principle. The activation energy for the relaxation of this binder varied remarkably at the melting point of PTHF. The thermal decomposition behavior indicated that at low temperatures, the consumption rate of the binder with low‐molecular‐weight PTHF was slightly larger than that of the binder with high‐molecular‐weight PTHF. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Rheological investigation of polyamide 6 TiO2‐ and BaSO4‐nanocomposites
Authors: Hassinger Irene , Burkhart Thomas
Published: August 2012

Commercially available TiO2 and BaSO4 nanoparticles were incorporated in polyamide 6 (PA 6) via twin screw extrusion. The primary particle size of nanoparticles was 15 nm and 20 nm. The compounds were manufactured via multiple extrusion and dilution processing steps. The dispersion of the nanoparticles in the matrix was investigated by scanning electron microscopy and image analysis, micro‐tomography, and transmission electron microscopy. The rheological properties were determined via plate–plate‐rheometer. It was found that for TiO2 fillers a threefold extrusion process is sufficient to realize a dispersion index of 94.4%. BaSO4 fillers were hardly dispersible, ending up with a maximum dispersion index of 71%. Deagglomeration does not lead to a change in rheological properties but the number of extrusion steps decreases the rheological properties. A good particle‐matrix interaction leads to higher moduli and viscosity. The remaining agglomerates seem to act as defects decreasing the energy absorption of the respective compounds. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Toward broader impacts: Making sense of NSF's merit review criteria in the context of the National Science Digital Library
Authors: Mardis Marcia A. , Hoffman Ellen S. , McMartin Flora P.
Published: August 2012

Scholars in library and information science are under increasing pressure to seek external funding for research. The National Science Foundation (NSF), which is often the source of this funding, considers proposed projects based on the criteria of “Intellectual Merit” and “Broader Impacts.” However, these merit review criteria have been criticized as being insufficiently specific and not appropriate for all types of scientific research. In an effort to examine the extent to which funded projects represented Broader Impacts, the researchers performed a content analysis of the abstracts from projects in the National Science Digital Library, an NSF project that crossed many disciplines and applications, but is of particular relevance to information scientists. When the results of these analyses are placed in the context of the controversy surrounding the Broader Impacts merit review criterion, it is clear that this criterion is interpreted broadly and that even successful proposals often include aspirational or incomplete claims of impact. Because current proposed revisions to the merit review criteria that include emphases on demonstrable innovation and economic benefit will likely only complicate proposers' abilities to describe their projects' potentials, researchers may benefit from a greater understanding of Broader Impacts and how they can be clearly expressed to reviewers.
Atypical Cry Acoustics in 6‐Month‐Old Infants at Risk for Autism Spectrum Disorder
Authors: Sheinkopf Stephen J. , Iverson Jana M. , Rinaldi Melissa L. , Lester Barry M.
Published: August 2012

This study examined differences in acoustic characteristics of infant cries in a sample of babies at risk for autism and a low‐risk comparison group. Cry samples derived from vocal recordings of 6‐month‐old infants at risk for autism spectrum disorder (ASD; n = 21) and low‐risk infants (n = 18) were subjected to acoustic analyses using analysis software designed for this purpose. Cries were categorized as either pain‐related or non‐pain‐related based on videotape coding. At‐risk infants produced pain‐related cries with higher and more variable fundamental frequency (F
0) than low‐risk infants. At‐risk infants later classified with ASD at 36 months had among the highest F
0 values for both types of cries and produced cries that were more poorly phonated than those of nonautistic infants, reflecting cries that were less likely to be produced in a voiced mode. These results provide preliminary evidence that disruptions in cry acoustics may be part of an atypical vocal signature of autism in early life. Autism Res 2012, ••: ••–••. © 2012 International Society for Autism Research, Wiley Periodicals, Inc.
Glyco‐engineering in plants to produce human‐like N‐glycan structures
Authors: Castilho Alexandra , Steinkellner Herta
Published: August 2012

It is now possible to produce complex human proteins, largely correctly folded and N‐glycosylated, in plants. Much effort has been invested in engineering expression technologies to develop products with superior characteristics. The results have begun to show success in controlling important posttranslational modifications such as N‐glycosylation. With the emerging data increasingly indicating the significance of proper N‐glycosylation for the efficacy of a drug, glyco‐engineering has become an important issue not only for academia but also for the biopharmaceutical industry. Plants have demonstrated a high degree of tolerance to changes in the N‐glycosylation pathway, allowing recombinant proteins to be modified into human‐like structures in a specific and controlled manner. Frequently the results are a largely homogeneously glycosylated product, currently unrivalled by that of any other expression platforms. This review provides a comprehensive analysis of recent advances in plant N‐glyco‐engineering in the context of the expression of therapeutically relevant proteins, highlighting both the challenges and successes in the application of such powerful technologies.
Carbohydrate–Lipid Interactions: Affinities of Methylmannose Polysaccharides for Lipids in Aqueous Solution
Authors: Liu Lan , Bai Yu , Sun Nian , Xia Li , Lowary Todd L. , Klassen John S.
Published: August 2012

The interactions between 3‐O‐methyl‐mannose polysaccharides (MMPs), extracted from Mycobacterium smegmatis (consisting of a mixture of MMP‐10, ‐11, ‐12 and ‐13) or obtained by chemical synthesis (MMP‐5s, ‐8s, ‐11s and ‐14s), and linear saturated and unsaturated fatty acids (FAs), and a commercial mixture of naphthenic acids (NAs) in aqueous solution at 25 °C and pH 8.5 were quantified by electrospray ionization mass spectrometry (ESI‐MS). Association constants (Ka) for MMP binding to four FAs (myristic acid, palmitic acid, stearic acid and trans‐parinaric acid) were measured by using an indirect ESI‐MS assay, the “proxy protein” method. The Ka values are in the 104–105 M−1 range and, based on results obtained for the binding of the synthetic MMPs with palmitic acid, increase with the size of the carbohydrate. Notably, the measured affinity of the extracted MMPs for trans‐parinaric acid is two orders of magnitude smaller than the reported value, which was determined by using a fluorescence assay. Using a newly developed competitive binding assay, referred to as the “proxy protein/proxy ligand” ESI‐MS method, it was shown that MMPs bind specifically to NAs in aqueous solution, with apparent affinities of approximately (5×104) M−1 for the mixture of NAs tested. This represents the first demonstration that MMPs can bind to hydrophobic species more complex than those containing linear alkyl/alkenyl chains. Moreover, the approach developed here represents a novel method for probing carbohydrate–lipid interactions.
Efficient Tandem Synthesis of Methyl Esters and Imines by Using Versatile Hydrotalcite‐Supported Gold Nanoparticles
Authors: Liu Peng , Li Can , Hensen Emiel J. M.
Published: August 2012

Efficient basic hydrotalcite (HT)‐supported gold nanoparticle (AuNP) catalysts have been developed for the aerobic oxidative tandem synthesis of methyl esters and imines from primary alcohols catalyzed under mild and soluble‐base‐free conditions. The catalytic performance can be fine‐tuned for these cascade reactions by simple adjustment of the Mg/Al atomic ratio of the HT support. The one‐pot synthesis of methyl esters benefits from high basicity (Mg/Al=5), whereas moderate basicity greatly improves imine selectivity (Mg/Al=2). These catalysts outperform previously reported AuNP catalysts by far. Kinetic studies show a cooperative enhancement between AuNP and the surface basic sites, which not only benefits the oxidation of the starting alcohol but also the subsequent steps of the tandem reactions. To the best of our knowledge, this is the first time that straightforward control of the composition of the support has been shown to yield optimum AuNP catalysts for different tandem reactions.
Breakage Probability of Granules by Repeated Stressing
Authors: Salman  , Aman Sergej , Tomas Jürgen
Published: August 2012

The breakage behavior of γ‐Al2O3 granules was investigated by repeated stressing with double impact and compression test. Regarding to the stressing point of particle surface, the experiment was established in two treatment conditions – fixed and rotated treatment. In the case of double impact test a hardening factor was introduced into the breakage probability model. The result described the breakage probability for both fixed and rotated granules during repeated stressing.
Novel Alumophosphate‐based Gold Catalysts for the Direct Propene Epoxidation
Authors: Siebert Martin , Veit Peter , Scheffler Franziska , Schwidder Michael
Published: August 2012

Propenoxid ist ein wichtiges Zwischenprodukt der chemischen Industrie. Es wird unter anderem zur Herstellung von verschiedenen Kunststoffen benötigt. Da die aktuell eingesetzten Verfahren zur Produktion von Propenoxid entweder große Mengen unerwünschter Nebenprodukte erzeugen oder in Bezug auf die eingesetzten Ausgangsstoffe sehr kostspielig sind, ist es aus ökonomischer und ökologischer Sicht wünschenswert, Propen auf direktem Weg durch Luftsauerstoff zu epoxidieren. Wie gezeigt werden konnte, ist dies mit geträgerten Goldkatalysatoren möglich. Dieser Beitrag geht der Frage nach, inwiefern titansubstituierte Alumophosphate als Träger für solche Katalysatoren geeignet sind.
Dezincification of Steel Scraps
Authors: Schönfelder Ingo , Gock Eberhard , Vogt Volker , Carlowitz Otto , Zeller Torsten , Sauter Andreas
Published: August 2012

Im Rahmen eines Verbundprojektes wurde ein Verfahren zur sauren Vorentzinkung, die sog. Bypass‐Vorentzinkung, entwickelt. Es beruht auf der inhibitorischen Wirkung von Wasch‐ und Ziehölen, die die gleichzeitige Auflösung des Eisens mit Zink unterbindet. Zusätzlich kommt Restzinkschichten eine Schutzfunktion gegen die Eisenauflösung zu. Der Nachweis der Industrietauglichkeit erfolgte mit dem Bau und Betrieb einer Pilotanlage für einen Nominaldurchsatz von 24 t d–1, der auf 100 t d–1 erhöht werden konnte. Es wurden sowohl für galvanisierte als auch für feuerverzinkte Neuschrotte und Mischungen dieser Schrotte Entzinkungsgrade bis zu 99 % erreicht. Im Vergleich mit der konventionellen Entzinkungsroute ergibt sich eine Energieeinsparung um den Faktor 50 bei gleichzeitiger CO2‐Verminderung um den Faktor 40.
Material and Energy Efficiency in the Porcelain Industry – Basis for the Competitiveness of the Industry
Authors: Rösler Guido , Rösler Johannes , Schirmer Peter , Häusler Andreas , Fischer Gundula
Published: August 2012

Zur Ressourceneinsparung im rohstoff‐ und energieintensiven Fertigungsprozess von Geschirr‐ und Zierkeramik wurden verschiedene Produktionsparameter untersucht. Eine Versatzoptimierung erzielte Einsparvolumen von 35 %. Dies gelang vor allem durch Senkung der Rohstoffkosten sowie durch eine Reduzierung der Anzahl der Versatzbestandteile und Verkürzung der Transportwege durch den Einsatz einheimischer Rohstoffe. Mithilfe des optimierten Versatzes konnten bei den Isostatik‐ und Nasspressmassen Einsparungen von jeweils ca. 35 % bei der Rohstoffmenge und ca. 50 % bei den Materialkosten erreicht werden. Ein weiteres Ziel ist der Einsatz von Holzgas zur Sinterung. Die Abwägung zwischen dem ressourcensparenden Effekt und dem materiellen Aufwand zur Erzeugung des Holzgases kann erst beim stabilen Betrieb einer Anlage erfolgen.
Direct Asymmetric Michael Additions of Ketones to Nitroolefins and Chalcones Catalyzed by a Chiral C2‐Symmetric Pyrrolidine‐based Tetraamine
Authors: Ma Shijun , Wu Lulu , Liu Ming , Wang Yongmei
Published: August 2012

C2‐Symmetric pyrrolidine‐based tetraamine, available from commercially starting materials, showed good catalytic activity for asymmetric Michael additions of ketones to nitroalkenes especially to chalcones. The reactions proceeded to give the corresponding products in good yields and in a highly selective manner.
Synthesis and Properties of New Fluorinated Polyimides Derived from an Unsymmetrical and Noncoplanar Diamine
Authors: Wang Chenyi , Zhao Xiaoyan , Li Guang
Published: August 2012

A new unsymmetrical and noncoplanar diamine containing trifluoromethyl and trimethyl groups, 1,4‐bis(4‐amino‐2‐trifluoromethylphenoxy)‐2,3,5‐trimethylbenzene (2), was synthesized using 2,3,5‐trimethylhydroquinone and 2‐chloro‐5‐nitrobenzotrifluoride as starting materials. A series of fluorinated poly(ether imide)s (PEIs) (4a–4d) were prepared from diamine 2 with four aromatic dianhydrides via a one‐step high‐temperature polycondensation procedure. The obtained PEIs were readily soluble in most organic solvents and could be solution‐cast into flexible and strong films. The resulting thin films exhibited light color and good optical transparency with a cutoff wavelength of 356–376 nm. They also displayed good thermal stability with glass transition temperatures (Tg) above 281°C, 10% weight loss temperatures in the range of 482–486°C, and the weight residue more than 55% at 800°C in nitrogen. Moreover, they revealed low dielectric constants (2.77–2.93 at 1 MHz) and low moisture absorptions (0.41%–0.57%).
Synthesis of 2‐Mercaptobenzaldehyde, 2‐Mercaptocyclohex‐1‐enecarboxaldehydes and 3‐Mercaptoacrylaldehydes
Authors: Niu Qingfen , Xu Xiaofeng , Sun Hongjian , Li Xiaoyan
Published: August 2012

A novel one‐pot approach for the preparation of 2‐mercaptobenzaldehyde, 2‐mercaptocyclohex‐1‐enecarboxaldehydes and 3‐mercaptoacrylaldehydes [(Z)‐3‐mercapto‐2‐methyl‐3‐phenylacrylaldehyde, 3‐mercapto‐3‐(o‐tolyl)acrylaldehyde)] starting from ortho‐bromobenzaldehyde, 2‐chlorocyclohex‐1‐enecarbaldehydes, (Z)‐3‐chloro‐2‐methyl‐3‐phenylacrylaldehyde and 3‐chloro‐3‐(o‐tolyl)acrylaldehyde is reported. The reaction of sulfur with the Grignard reagent of the acetal for the protection of the aldehyde group affords the title compounds through hydrolysis with dilute hydrochloric acid in high yields.
Theoretical Investigation into Electronic Structures and Charge Transfer Properties of π‐Conjugated System with Different Combinations of Thiophene and Vinyl/Butadiene
Authors: Zhao Chunmei , Li Chunrong , Ma Yan , Zhao Caibin , Wang Wenliang
Published: August 2012

A series of combinations of thiophene and vinyl/butadiene were investigated by ab initio and DFT methods to explore their electronic structures and charge transfer properties. The results show that increasing thiophene ring and vinyl number is a rational strategy to raise the HOMO energy levels and lower the LUMO energy levels. Moving the vinyl from the periphery to the core has the slight effect on the HOMO and LUMO energy levels. Furthermore, replacing the middle vinyl and end‐capped vinyl of 3b (T5V4) with the butadiene can lower LUMO energy levels and then facilitate the electron injection. Above all, the close hole and electron reorganization energies (λh and λe) are observed from these compounds. However, the λes are smaller than their respective λhs in some compounds, which is relatively rare in organic materials. Especially, the promising ambipolar material 3c (T5B4) is recommended theoretically for possessing the equivalent minimum λh (0.24 eV) and λe (0.24 eV). The absorption wavelengths exhibit red shifts with the increasing of the thiophene ring and the vinyl number under the same configuration, which correspond to the reverse order of ΔEH‐L and Eg. The linear relationships are found between experimental lowest singlet excited energies (Eexp) with theoretical values ΔEH‐L and Eg.
Adsorption and Decomposition Mechanism of 1,1‐Diamino‐2,2‐dinitroethylene on Al(111) Surface by Periodic DFT Calculations
Authors: Ye Caichao , Ju Xuehai , Zhao Fengqi , Xu Siyu
Published: August 2012

The adsorption of 1,1‐diamino‐2,2‐dinitroethylene (FOX‐7) molecule on the Al(111) surface was investigated by the generalized gradient approximation (GGA) of density functional theory (DFT). The calculations employ a supercell (4×4×2) slab model and three‐dimensional periodic boundary conditions. The strong attractive forces between oxygen and aluminum atoms induce the NO bond breaking of the FOX‐7. Subsequently, the dissociated oxygen atoms and radical fragment of FOX‐7 oxidize the Al surface. The largest adsorption energy is −940.5 kJ/mol. Most of charge transfer is 3.31e from the Al surface to the fragment of FOX‐7 molecule. We also investigated the adsorption and decomposition mechanism of FOX‐7 molecule on the Al(111) surface. The activation energy for the dissociation steps of P2 con?guration is as large as 428.8 kJ/mol, while activation energies of other con?gurations are much smaller, in range of 2.4 to 147.7 kJ/mol.
Crystallization and Morphology of Autophobic Dewetted Poly(ε‐caprolactone)‐b‐poly(L‐lactide) Diblock Copolymer Ultrathin Films
Authors: Yan Derong , Huang Haiying , He Tianbai
Published: August 2012

We have investigated the crystallization and morphological behaviors of poly(ε‐caprolactone)‐b‐poly(L‐lactide) (PCL‐b‐PLLA) in its autophobic dewetted ultrathin films (∼11 nm) using atomic force microscopy (AFM) and transmission electron microscopy (TEM). The autophobic dewetting process creates a well defined film geometry containing an extremely thin wetting layer (∼4.5 nm) with densely distributed micrometer droplets atop, which restricts the primary nucleation process to occurring only in the droplets. In addition to the normally encountered flat‐on lamellae, the growth of edge‐on lamellae in such a thin wetting layer has been observed on both of two crystallization paths. In thermal crystallization, flat‐on lamellae are favored at small supercoolings while edge‐on lamellae appear at very large supercoolings both in the droplets and the wetting layer. For cold crystallization, the edge‐on lamellae can form easily in the droplets and grow into the wetting layer even at very small supercoolings. These observations are explained on the basis that the nucleation and lamellar orientation are strongly affected by the film geometry, the crystallization paths, and the applied supercoolings.
Facile and Efficient Synthesis of (R)‐4‐(Benzyloxy)‐3‐methylbutanenitrile: Toward Developing a Versatile Chiral Building Block
Authors: Song Zijie , Shi Yong , Jin Ronghua , Lin Jingrong , Tian Weisheng
Published: August 2012

A practical synthesis of (R)‐4‐(benzyloxy)‐3‐methylbutanenitrile, a potential chiral building block, from the corresponding α‐keto ester in high yield and large scale was presented.
An Efficient α‐Alkylation of Aromatic Ketones with Primary Alcohols Catalyzed by [Cp∗︁IrCl2]2 without Solvent
Authors: Li Jian , Zhang Weixing , Wang Feng , Jiang Min , Dong Xiaochun , Zhao Weili
Published: August 2012

Aromatic ketones are directly alkylated at α position with primary alcohols at 110°C in the presence of catalytic amount of KOH and [Cp∗︁IrCl2]2 (Cp∗︁=pentamethylcyclopentadienyl) catalyst. The reaction is carried out in the absence of any solvent or additive, which generates only water as the byproduct in theory. It is very efficient and generally completed in 10 min in good isolated yields. The reaction is believed to undergo successive hydrogen transfer and cross aldol condensation processes.
Significant Promotion of Morphology in Fabricating Efficient Environment Protector
Authors: Zhou Yu , Qian Wenjuan , Yang Jing , Zhou Shilu , Wang Ying , Zhu Jianhua
Published: August 2012

A new strategy of morphology control was applied for mesoporous silica SBA‐15 to fabricate efficient environment protector, and the micro‐ and macro‐morphology of SBA‐15 were simultaneously controlled in weak acidic condition by using citric acid. Through simply tuning the synthetic temperature, monolithic SBA‐15 materials with tunable macroporous structure was fabricated by using mild shearing force field in the citric acid route. Owning to the strong promotion of special morphology, the SBA‐15 monolith can efficiently eliminate the phenol from environmental tobacco smoke (ETS), and the reduction ratio is twice higher than that by tetraethylenepentamine (TEPA) modified powder‐like SBA‐15. These results indicated that morphology of mesoporous materials played a dominant role in environmental purification.
Surgical treatment of colon cancer in patients aged 80 years and older
Authors: Neuman Heather B. , O'Connor Erin S. , Weiss Jennifer , LoConte Noelle K. , Greenblatt David Y. , Greenberg Caprice C. , Smith Maureen A.
Published: August 2012

BACKGROUND:

Age‐related disparities in colon cancer treatment exist, with older patients being less likely to receive recommended therapy. However, to the authors' knowledge, few studies to date have focused on receipt of surgery. The objective of the current study was to describe patterns of surgery in patients aged ≥ 80 years with colon cancer and examine outcomes with and without colectomy.

METHODS:

Medicare beneficiaries aged ≥ 80 years with colon cancer who were diagnosed between 1992 and 2005 were identified from the Surveillance, Epidemiology, and End Results‐Medicare database. Multivariable logistic regression analysis was used to assess factors associated with nonoperative management. Kaplan‐Meier survival analysis determined 1‐year overall and colon cancer‐specific survival.

RESULTS:

Of 31,574 patients, 80% underwent colectomy. Approximately 46% were diagnosed during an urgent/emergent hospital admission, with decreased 1‐year overall survival (70% vs 86% for patients diagnosed during an elective admission) noted among these individuals. Factors found to be most predictive of nonoperative management included older age, black race, more hospital admissions, use of home oxygen, use of a wheelchair, being frail, and having dementia. For both operative and nonoperative patients, the 1‐year overall survival rate was lower than the colon cancer‐specific survival rate (operative patients: 78% vs 89%; nonoperative patients: 58% vs 78%).

CONCLUSIONS:

The majority of older patients with colon cancer undergo surgery, with improved outcomes noted compared with nonoperative management. However, many patients who are not selected for surgery die of unrelated causes, reflecting good surgical selection. Patients undergoing surgery during an urgent/emergent admission have an increased short‐term mortality risk. Because the earlier detection of colon cancer may increase the percentage of older patients undergoing elective surgery, the findings of the current study may have policy implications for colon cancer screening and suggest that age should not be the only factor driving cancer screening recommendations. Cancer 2013. © 2012 American Cancer Society.
Hurthle cell carcinoma
Authors: Goffredo Paolo , Roman Sanziana A. , Sosa Julie A.
Published: August 2012

BACKGROUND:

Hurthle cell carcinoma (HCC) is an uncommon and more aggressive thyroid cancer. To date, there is a paucity of data at a population level. In this study, demographic, clinical, and pathologic characteristics of HCC were investigated and compared with other types of differentiated thyroid cancers (ODTCs). The authors also evaluated disease‐specific survival and compliance with American Thyroid Association (ATA) management guidelines from 2009.

METHODS:

The Surveillance, Epidemiology, and End Results (SEER) database from 1988 to 2009 was used to obtain data on patients with thyroid cancer. Data analyses were performed using chi‐square tests, analysis of variance, Kaplan‐Meier analysis, binary logistic regression, and Cox proportional hazards regression.

RESULTS:

In total, 3311 patients with HCC and 59,585 patients with ODTC were identified. Compared with ODTC, HCC was more common among men (31.1% vs 23.0% for ODTC; P < .001) and among older patients (mean age, 57.6 years vs 48.9 years for ODTC; P < .001). Patients with HCC presented with higher SEER disease stage (P < .001), and their tumors were larger (36.1 mm vs 20.2 mm for ODTC; P < .001). Fewer patients underwent total thyroidectomy (P = .028). Both overall and disease‐specific survival were lower for patients with HCC (P < .001), and neither improved over the last 2 decades (P = .689). After adjustment, age ≥45 years, not undergoing surgery, and metastatic disease were strongly associated with a worse prognosis (hazard ratio >3.0). Compliance with recommended surgical treatment according to ATA guidelines was lower among patients with HCC aged ≥65 years (odds ratio [OR], 1.43; P = .002) and among unmarried patients (OR, 1.29; P = .004). Predictors of noncompliance with ATA guidelines for treatment with radioactive implants or radioisotopes were age ≥65 years (OR, 1.31; P = .017), diagnosis between 1988 and 1997, no surgery, and partial thyroidectomy (OR, 1.81, 19.48, and 4.02, respectively; P < .001).

CONCLUSIONS:

HCC has more aggressive behavior and compromised survival compared with ODTC. The current results indicated that it may be important to consider a different staging system or separate practice guidelines. Cancer 2013. © 2012 American Cancer Society.
Survival of patients with marginal zone lymphoma
Authors: Olszewski Adam J. , Castillo Jorge J.
Published: August 2012

BACKGROUND.

Prognostic factors and outcomes in patients with marginal zone lymphoma (MZL) have been studied in small cohort studies, which may not reflect the population at large.

METHODS.

Clinical characteristics and survival outcomes of adult patients with MZL who were diagnosed between 1995 and 2009 were evaluated using the Surveillance, Epidemiology, and End Results (SEER) database. The authors generated clinical prognostic models for subtypes of MZL and compared survival during the periods of 1995 through 2000, 2001 through 2004, and 2005 through 2009.

RESULTS.

The prognosis was significantly better for patients with mucosa‐associated lymphoid tissue (MALT) lymphoma (5‐year relative survival rate of 88.7%; P < .0001) compared with those with the splenic MZL (SMLZ)or nodal MZL (NMZL) subtypes (5‐year relative survival rates of 79.7% and 76.5%, respectively). There was evidence of improved outcomes in patients with NMZL and MALT lymphomas between 1995 and 2009 (P < .0001), with no difference noted in patients with SMZL (P = .56). Advancing age and the presence of B symptoms had prognostic significance in all MZL subtypes. Male sex and stage of disease were significant only for the NMZL and MALT categories. Survival in patients with MALT lymphomas varied depending on the site of origin, with a worse prognosis noted in those with gastrointestinal and pulmonary locations of origin (5‐year incidence rate of lymphoma‐related death, 9.5%‐14.3%) compared with ocular, cutaneous, and endocrine sites (4.5%‐7.8%; P < .0001).

CONCLUSIONS.

The survival for patients with SMZL is similar to that for those with NMZL, and unlike the NMZL and MALT subtypes, it has not improved over the past decade. The prognosis of patients with MALT lymphoma varies according to the anatomical site of origin. Cancer 2013. © 2012 American Cancer Society.
Latest trends in computer architectures and parallel and distributed technologies
Authors: Schulze Bruno , Rebello Vinod , Moreira Jose
Published: August 2012

This special issue focuses on new developments in high performance applications, as well as the latest trends in computer architecture and parallel and distributed technologies, and is based on extended, thoroughly revised papers from the 22nd International Symposium on Computer Architecture and High Performance Computing. The authors were invited to provide extended versions of their original papers, taking into account comments and suggestions raised during the peer review process and comments from the audience during the conference. Copyright © 2012 John Wiley & Sons, Ltd.
A multi‐GPU shallow‐water simulation with transport of contaminants
Authors: Viñas M. , Lobeiras J. , Fraguela B.B. , Arenaz M. , Amor M. , García J.A. , Castro M.J. , Doallo R.
Published: August 2012

This work presents cost‐effective multi‐graphics processing unit (GPU) parallel implementations of a finite‐volume numerical scheme for solving pollutant transport problems in bidimensional domains. The fluid is modeled by 2D shallow‐water equations, whereas the transport of pollutant is modeled by a transport equation. The 2D domain is discretized using a first‐order Roe finite‐volume scheme. Specifically, this paper presents multi‐GPU implementations of both a solution that exploits recomputation on the GPU and an optimized solution that is based on a ghost cell decoupling approach. Our multi‐GPU implementations have been optimized using nonblocking communications, overlapping communications and computations and the application of ghost cell expansion to minimize communications. The fastest one reached a speedup of 78 × using four GPUs on an InfiniBand network with respect to a parallel execution on a multicore CPU with six cores and two‐way hyperthreading per core. Such performance, measured using a realistic problem, enabled the calculation of solutions not only in real time but also in orders of magnitude faster than the simulated time.Copyright © 2012 John Wiley & Sons, Ltd.
Role of Water in the Chlorine Evolution Reaction at RuO2‐Based Electrodes—Understanding Electrocatalysis as a Resonance Phenomenon
Authors: Zeradjanin Aleksandar R. , Menzel Nadine , Strasser Peter , Schuhmann Wolfgang
Published: August 2012

The reaction path of the Cl2 evolution reaction (CER) was investigated by combining electrochemical and spectroscopic methods. It is shown that oxidation and reconstruction of the catalyst surface during CER is a consequence of the interaction between RuO2 and water. The state of the RuO2 surface during the electrochemical reaction was analyzed in situ by using Raman spectroscopy to monitor vibrations of the crystal lattice of RuO2 and changes in the surface concentration of the adsorbed species as a function of the electrode potential. The role of the solvent was recognized as being crucial in the formation of an oxygen‐containing hydrophilic layer, which is a key prerequisite for electrocatalytic Cl2 formation. Water (more precisely the OH adlayer) is understood not just as a medium that allows adsorption of intermediates, but also as an integral part of the intermediate formed during the electrochemical reaction. New insights into the general understanding of electrocatalysis were obtained by utilizing the vibration frequencies of the crystal lattice as a dynamic catalytic descriptor instead of thermodynamic descriptors, such as the adsorption energy of intermediates. Interpretation of the derived “volcano” curve suggests that electrocatalysis is governed by a resonance phenomenon.
An Efficient and Convenient Palladium Catalyst System for the Synthesis of Amines from Allylic Alcohols
Authors: Banerjee Debasis , Jagadeesh Rajenahally V. , Junge Kathrin , Junge Henrik , Beller Matthias
Published: August 2012

A novel catalyst system for efficient amination of allylic alcohols with aryl and alkyl amines is presented. By applying a convenient combination consisting of Pd(OAc)2/1,10‐phenanthroline, a variety of allylic alcohols reacted smoothly to give the corresponding secondary and tertiary amines in good to excellent yields with high regioselectivity. The usefulness of our protocol is demonstrated in the one‐step synthesis of the antifungal drug naftifine and the calcium channel blocker flunarizine.
Ladder tuning‐block partitioned filters for simplified tuning
Authors: Jurisic Drazen , Moschytz George S.
Published: August 2012

In this paper, we present a procedure for the design of low‐sensitivity, active‐RC filters that permits efficient functional tuning during the manufacturing process. Filters with finite zeros, such as elliptic (Chebyshev–Cauer) low‐pass filters are primarily considered, although the method can be applied to the design of other filters, e.g. allpole filters, as well. We show how to partition a given ladder filter into two parts. The first is a ladder filter of reduced order compared to the original; the second is a second‐ or third‐order active‐RC filter section, the ‘tuning block’, which, alone is used to tune the overall filter. The ladder, the components of which are fixed, provides most of the selectivity, while the cascaded tuning block determines the band‐edge characteristics and can be tuned relatively easily. A detailed design procedure for the filter partitioning is given. By obtaining a doubly terminated ladder filter, which is cascaded with a tuning block, both the inherent low sensitivity of the ladder and the tunability of the tuning block, are maintained. A Monte Carlo analysis of the partitioned filter demonstrates that the low sensitivity with respect to component tolerances, achievable by maintaining a doubly terminated ladder structure for the larger partitioned part of the filter, is preserved. Copyright © 2012 John Wiley & Sons, Ltd.
Atomic Layer Deposition of WO3 Thin Films using W(CO)6 and O3 Precursors
Authors: Malm Jari , Sajavaara Timo , Karppinen Maarit
Published: August 2012

Here we report a new atomic layer deposition (ALD) process for WO3 thin films based on W(CO)6 as a tungsten source and ozone as a source of oxygen. A narrow ALD temperature window is found at 195–205 °C for WO3 with a deposition rate of 0.23 Å per cycle. As‐deposited films are partially crystalline with root mean square (rms) roughness values of 4.7 nm for 90 nm thick films; annealing the films at 600–1000 °C under oxygen or nitrogen atmospheres enhances the degree of crystallinity considerably. Our results show that the straightforward ALD chemistry of carbonyl compounds and ozone is applicable to the deposition of WO3 thin films.
A high‐throughput, flow cytometry‐based method to quantify DNA‐end resection in mammalian cells
Authors: Forment Josep V. , Walker Rachael V. , Jackson Stephen P.
Published: August 2012

Replication protein A (RPA) is an essential trimeric protein complex that binds to single‐stranded DNA (ssDNA) in eukaryotic cells and is involved in various aspects of cellular DNA metabolism, including replication and repair. Although RPA is ubiquitously expressed throughout the cell cycle, it localizes to DNA replication forks during S phase, and is recruited to sites of DNA damage when regions of ssDNA are exposed. During DNA double‐strand break (DSB) repair by homologous recombination (HR), RPA recruitment to DNA damage sites depends on a process termed DNA‐end resection. Consequently, RPA recruitment to sub‐nuclear regions bearing DSBs has been used as readout for resection and for ongoing HR. Quantification of RPA recruitment by immunofluorescence‐based microscopy techniques is time consuming and requires extensive image analysis of relatively small populations of cells. Here, we present a high‐throughput flow‐cytometry method that allows the use of RPA staining to measure cell proliferation and DNA‐damage repair by HR in an unprecedented, unbiased and quantitative manner. © 2012 International Society for Advancement of Cytometry
A Discrete μ4‐Oxido Tetranuclear Iron(III) Cluster
Authors: Sutradhar Manas , Carrella Luca M. , Rentschler Eva
Published: August 2012

Reaction of a Schiff base ligand derived from salicyloyl hydrazide and diacetyl monooxime (H2L) with a triangular μ3‐oxido‐centered [Fe3(μ3‐O)]7+ core yields a new tetranuclear iron(III) complex. FeIII4(μ4‐O) crystallizes in the triclinic space group P$\bar {1}$. Structural studies reveal that this tetranuclear iron(III) complex is a new structure type of an uncharged (alkoxido)(oxido)iron(III) cluster in which the four iron(III) ions are located at the corners of a distorted tetrahedron. A study of the magnetic properties supports the presence of antiferromagnetic interactions through the central μ4‐oxido ion as well as the μ2‐methoxy groups present, giving an an S = 0 ground state. Mössbauer spectroscopy confirms the presence of high‐spin iron(III) ions in this complex.
“In situ” Activation of Racemic RuII Complexes: Separation of trans and cis Species and Their Application in Asymmetric Reduction
Authors: Facchetti Giorgio , Cesarotti Edoardo , Pellizzoni Michela , Zerla Daniele , Rimoldi Isabella
Published: August 2012

Ruthenium(II) dichlorides with racemic atropos‐biaryl‐based diphosphanes and optically active 1,2‐diphenylethane‐1,2‐diamine (DPEN) as ligands have been synthesised. trans and cis isomers were formed due to the low basicity of the diphosphane ligands, in particular, with BITIANP and BIMIP. The trans and cis species were easily separated by filtration. In particular, when rac‐BITIANP was used in combination with chiral DPEN, the asymmetric separation of optically pure complexes in cis and trans arrangements was realised and they were used as precatalysts in the asymmetric hydrogenation of ketones. Matching and mismatching combinations exhibited different performances.
Lyngbyabellins K–N from Two Palmyra Atoll Collections of the Marine Cyanobacterium Moorea bouillonii
Authors: Choi Hyukjae , Mevers Emily , Byrum Tara , Valeriote Frederick A. , Gerwick William H.
Published: August 2012

Five lipopeptides of the lyngbyabellin structure class, four cyclic (1–3 and 5) and one linear (4), were isolated from the extracts of two collections of filamentous marine cyanobacteria obtained from the Palmyra Atoll in the Central Pacific Ocean. Their planar structures and absolute configurations were elucidated through a combination of spectroscopic and chromatographic analyses as well as chemical synthesis of fragments. In addition to structural features typical of the lyngbyabellins, such as two thiazole rings and a chlorinated 2‐methyloctanoate residue, these new compounds possess several unique aspects. Of note, metabolites 2 and 3 possess rare monochlorination on the 3‐acyloxy‐2‐methyloctanoate residue, whereas lyngbyabellin N (5) has an unusual N,N‐dimethylvaline terminus. Lyngbyabellin N also possesses a leucine statine residue and shows strong cytotoxic activity against the HCT116 colon cancer cell line (IC50 = 40.9 ± 3.3 nM).
Transglutaminase‐modified wool keratin film and its potential application in tissue engineering
Authors: Cui Li , Gong Jun , Fan Xuerong , Wang Ping , Wang Qiang , Qiu Yaqin
Published: August 2012

Transglutaminase (TGase) catalyzes the cross‐linking of many proteins and has been widely used to improve the properties of certain protein‐based materials. Keratin is considered as a promising biomaterial candidate following traditional chemical modification. In this study, the effect of TGase on the properties of a wool keratin film was investigated. The TGase‐modified film was applied to drug release and cell proliferation. Treatment with TGase (30 U/g keratin) for 18 h at 40°C increased the tensile strength of the film from 5.18 ± 0.15 MPa to 6.22 ± 0.11 MPa and decreased the elongation at break from 83.47 ± 1.79% to 72.12 ± 3.02%. The stability of the film in PBS and in artificial gastric juice was also improved. A rougher surface and a more compact cross‐section were observed by scanning electron microscopy photographs of the TGase‐treated film. SDS‐PAGE analysis confirmed that higher molecular weight proteins were formed in the TGase‐modified keratin solution and film. The results of the drug release assay using diclofenac indicated that both films with and without TGase treatment led to a high initial release in PBS, which was more constant in artificial gastric juice. The enzyme treatment led to a lower drug release rate from the film. Cell culture experiments suggested that the TGase‐mediated cross‐linked keratin film shows a good biocompatibility and that it can be used for tissue engineering applications.
Synthesis and characterization of lithium zeolites with ABW type from coal fly ash
Authors: Yao Zhitong , Ye Ying , Xia Meisheng
Published: August 2012

Lithium zeolites with ABW framework were synthesized from coal fly ash by hydrothermal method. The effects of LiOH·H2O concentrations, hydrothermal temperatures, and reaction time on zeolites formation were investigated. LiOH·H2O acted as a strong activator and promoted the dissolution of coal fly ash. The contents of zeolites ABW phases increased at the expense of quartz and mullite in fly ash with an increase of alkaline solution concentrations. On increasing hydrothermal temperatures and time, the soluble species recrystallized and phase transformation between different zeolites was observed. Morphology evolution revealed that the zeolites developed from radiating cluster to mono‐column. The reaction mechanisms were proposed as well. © 2012 American Institute of Chemical Engineers Environ Prog, 32: 790–796, 2013
Recalibrating aeolian sand transport models
Authors: Sherman Douglas J. , Li Bailiang , Ellis Jean T. , Farrell Eugene J. , Maia Luis Parente , Granja Helena
Published: August 2012

A quality‐controlled data set comprising measurements of aeolian sand transport rates obtained at three disparate field sites is used to evaluate six commonly employed transport rate models (those of Bagnold, Kawamura, Zingg, Owen, Hsu, and Lettau and Lettau) and to recalibrate the empirical constants in those models. Shear velocity estimates were obtained using the von Kármán constant and an apparent von Kármán parameter. Models were recalibrated using non‐linear regression and non‐linear regression with least‐squares lines forced through axes origins. Recalibration using the apparent von Kármán parameter and forced regression reduced the empirical constants for all models. The disparity between the predictions from the different models is reduced from about an order of magnitude to about a quarter of an order of magnitude. The recalibrated Lettau and Lettau model provided the greatest statistical agreement between observed and predicted transport rates, with a coefficient of determination of 0·77. Evaluation of the results suggests that our estimations of threshold shear velocity may be too slow, causing errors in predicted transport rates. Copyright © 2012 John Wiley & Sons, Ltd.
Predicting contamination by the fuel additive cerium oxide engineered nanoparticles within the United Kingdom and the associated risks
Authors: Johnson Andrew C. , Park Barry
Published: August 2012

As a fuel additive, cerium oxide nanoparticles may become widely dispersed throughout the environment. Commercial information from the United Kingdom (UK) on the use of cerium oxide nanoparticles was used to perform a modeling and risk assessment exercise. Discharge from exhausts took into account the likely removal by filters fitted to these vehicles. For predicting current soil exposure, scenarios were examined, ranging from dispersion occurring across the entire UK landmass to only within the urban area to only 20 m on either side of road networks. For soils, the highest predicted contamination level was 0.016 mg/kg within 20 m of a road following seven years of continuous deposition. This value would represent 0.027% of reported natural background cerium. If usage were to double for five more years, levels would not be expected to exceed 0.04 mg/kg. River water contamination considered direct aerial deposition and indirect contamination via runoff in the water and entrained soil sediment, with the highest level of 0.02 ng/L predicted. The highest predicted water concentration of 300 ng/L was associated with water draining from a road surface, assuming a restricted deposition spread. These predictions are well below most toxicological levels of concern. Environ. Toxicol. Chem. 2012; 31: 2582–2587. © 2012 SETAC
Does International Order Flow Contribute to Price Discovery in Futures Markets?
Authors: Frino Alex , Webb Robert I. , Zheng Hui
Published: August 2012

This study examines whether order flow originating from overseas contributes to price discovery in domestic futures markets. This issue is examined using a unique dataset for stock index futures traded on the Australian Securities Exchange that identifies the geographic location of computer servers on which orders are placed. We find that (i) transactions originating from overseas servers have a significant impact on the price volatility of stock index futures; (ii) trades initiated from international servers also have a permanent impact on price; and (iii) price movements caused by trades initiated from overseas servers lead those on domestic servers and make a greater contribution to price discovery. Our results confirm that international order flow is important in the price discovery process in domestic markets.