bluuebunny/crossref_metadata_2025 huggingface dataset:
Prognostic value of pretreatment circulating neutrophils, monocytes, and lymphocytes in oropharyngeal cancer stratified by human papillomavirus status
Authors: Huang Shao Hui , Waldron John N. , Milosevic Michael , Shen Xiaowei , Ringash Jolie , Su Jie , Tong Li , Perez‐Ordonez Bayardo , Weinreb Ilan , Bayley Andrew J. , Kim John , Hope Andrew , Cho B.C. John , Giuliani Meredith , Razak Albiruni , Goldstein David , Shi Willa , Liu Fei‐Fei , Xu Wei , O'Sullivan Brian
Published: October 2014

BACKGROUND

The objective of this study was to investigate the prognostic value of the pretreatment circulating neutrophil count (CNC), circulating monocyte count (CMC), and circulating lymphocyte count (CLC) in human papillomavirus (HPV)–related (HPV+) and HPV‐unrelated (HPV–) oropharyngeal cancer (OPC).

METHODS

All p16‐confirmed HPV+ and HPV– OPC cases treated with chemoradiotherapy from 2000 to 2010 were included. Overall survival (OS) and recurrence‐free survival (RFS) were compared for high and low CNCs, CMCs, and CLCs (dichotomized by median values). A multivariate analysis (MVA) confirmed their prognostic value in HPV+ and HPV– tumors, respectively.

RESULTS

Five hundred ten HPV+ OPC cases and 192 HPV– OPC cases were included. The HPV+ cohort had lower CNC and CMC values but a CLC similar to that of the HPV– patients (P < .01). The median follow‐up was 4.8 years. In the HPV+ cohort, a high CNC or CMC correlated with reduced OS and RFS in comparison with a low CNC or CMC (P < .01 for all), but no difference was evident in OS (P = .30) or RFS (P = .10) with the CLC. MVA confirmed that a higher CNC or CMC independently predicted lower OS (hazard ratio [HR] for CNC, 1.14, P < .01; HR for CMC, 2.95, P < .01) and lower RFS (HR for CNC, 1.11, P < .01; HR for CMC, 3.39, P < .01), whereas a higher CLC was associated with higher RFS (HR, 0.66, P = .03) and marginally higher OS (HR, 0.80, P = .08). In the HPV– cohort, CNC, CMC, and CLC were not predictive of OS (P = .16, P = .86, and P = .14) or RFS (P = .61, P = .59, and P = .62).

CONCLUSIONS

This relatively large cohort study demonstrates that a high CNC and a high CMC independently predict inferior OS and RFS, whereas a high CLC predicts better RFS and marginally better OS in HPV+ OPC patients. This association was not apparent in HPV– patients. Cancer 2015;121:545–555. © 2014 American Cancer Society.
Photoelectrochemical and Photovoltaic Characteristics of Amorphous‐Silicon‐Based Tandem Cells as Photocathodes for Water Splitting
Authors: Ziegler Jürgen , Kaiser Bernhard , Jaegermann Wolfram , Urbain Félix , Becker Jan‐Philipp , Smirnov Vladimir , Finger Friedhelm
Published: October 2014

In this study amorphous silicon tandem solar cells are successfully utilized as photoelectrodes in a photoelectrochemical cell for water electrolysis. The tandem cells are modified with various amounts of platinum and are combined with a ruthenium oxide counter electrode. In a two‐electrode arrangement this system is capable of splitting water without external bias with a short‐circuit current of 4.50 mA cm−2. On the assumption that no faradaic losses occur, a solar‐to‐hydrogen efficiency of 5.54 % is achieved. In order to identify the relevant loss processes, additional three‐electrode measurements were performed for each involved half‐cell.
Tuning the Optoelectronic Properties of Nonfullerene Electron Acceptors
Authors: Fang Yuan , Pandey Ajay K. , Lyons Dani M. , Shaw Paul E. , Watkins Scott E. , Burn Paul L. , Lo Shih‐Chun , Meredith Paul
Published: October 2014

Broad spectral coverage over the solar spectrum is necessary for photovoltaic technologies and is a focus for organic solar cells. We report a series of small‐molecule, nonfullerene electron acceptors containing the [(benzo[c][1,2,5]thiadiazol‐4‐yl)methylene]malononitrile unit as a high electron affinity component. The optoelectronic properties of these molecules were fine‐tuned with the objective of attaining strong absorption at longer wavelengths by changing the low‐ionization‐potential moiety. The electron‐accepting function of these materials was investigated with poly(3‐n‐hexylthiophene) (P3HT) as a standard electron donor. Significant photocurrent generation in the near infrared region, with an external quantum yield reaching as high as 22 % at 700 nm and an onset >800 nm was achieved. The results support efficient hole transfer to P3HT taking place after light absorption by the acceptor molecules. A Channel II‐dominated power conversion efficiency of up to 1.5 % was, thus, achieved.
Technological integration and hyperconnectivity: Tools for promoting extreme human lifespans
Authors: Kyriazis Marios
Published: October 2014

Artificial, neurobiological, and social networks are three distinct complex adaptive systems (CASs), each containing discrete processing units (nodes, neurons, and humans, respectively). Despite the apparent differences, these three networks are bound by common underlying principles which describe the behavior of the system in terms of the connections of its components, and its emergent properties. The longevity (long‐term retention and functionality) of the components of each of these systems is also defined by common principles. Here, I will examine some properties of the longevity and function of the components of artificial and neurobiological systems, and generalize these to the longevity and function of the components of social CAS. In other words, I will show that principles governing the long‐term functionality of computer nodes and of neurons, may be extrapolated to the study of the long‐term functionality of humans (or more precisely, of the noemes, an abstract combination of “existence” and “digital fame”). The study of these phenomena can provide useful insights regarding practical ways that can be used to maximize human longevity. The basic law governing these behaviors is the “Law of Requisite Usefulness,” which states that the length of retention of an agent within a CAS is proportional to the agent's contribution to the overall adaptability of the system. © 2014 Wiley Periodicals, Inc. Complexity 20: 15–24, 2015
Tailoring Dispersion and Aggregation of Au Nanoparticles in the BHJ Layer of Polymer Solar Cells: Plasmon Effects versus Electrical Effects
Authors: Kim Wanjung , Cha Bong Geun , Kim Jung Kyu , Kang Woonggi , Kim Eunchul , Ahn Tae Kyu , Wang Dong Hwan , Du Qing Guo , Cho Jeong Ho , Kim Jaeyun , Park Jong Hyeok
Published: October 2014

Plasmonic effects that arise from embedding metallic nanoparticles (NPs) in polymer solar cells (PSCs) have been extensively studied. Many researchers have utilized metallic NPs in PSCs by either incorporating them into the PSC interlayers (e.g., the hole extraction and electron extraction layers) or blending them into the bulk heterojunction (BHJ) active layer. In such studies, the dispersity of the metallic NPs in each layer may vary due to both the different nature of the ligands and the amount of ligands on the metallic NPs. This in turn can produce different PSC performance parameters. Here, we systematically control the amount of attached organic ligands on Au NPs to control their dispersion behavior in the BHJ active layer of PSCs. By controlling the number of capping organic ligands on the Au NPs, the dispersity of the NPs in the BHJ layer is also controlled and the positive effects (particularly the plasmonic and electrical effects) of the Au NPs in the PSCs are investigated. From the obtained results, we find that the electrical contribution of the Au NPs is a more dominant factor for enhancing cell efficiency when compared to the plasmonic effect.
Do highly ornamented and less parasitized males have high quality sperm? – an experimental test for parasite‐induced reproductive trade‐offs in European minnow (Phoxinus phoxinus)
Authors: Kekäläinen Jukka , Pirhonen Juhani , Taskinen Jouni
Published: October 2014

Parasites take their resources from hosts and thus directly reduce available resources for hosts’ own body functions, such as growth and reproduction. Furthermore, parasite infections cause significant indirect costs to their hosts in terms of increased investments on immune defense. In this study, we investigated the impact of parasite infection on the sperm quality and expression of secondary sexual ornamentation (saturation of the red abdominal colouration and number of breeding tubercles) in the Eurasian minnow (Phoxinus phoxinus). We exposed minnows to a high and low dose of common nonspecific fish ectoparasite, the glochidia larvae of duck mussel (Anodonta anatina) and tested whether parasite infection leads to trade‐off in sperm quality and/or ornamental expression. We found that glochidia infection reduces the curvature of the sperm swimming trajectory, number of breeding tubercles, and possibly male competitive ability, but does not affect expression of male color ornamentation. Furthermore, glochidia infection was found to reduce sperm motility, but only when all the noninfected individuals were excluded from the model. Supporting one of the predictions by phenotype‐linked fertility hypothesis both in high‐infection and low‐infection group male breeding colouration was positively associated with sperm quality. Our results suggest that although glochidia infection may have negative impact on male reproductive success, parasite‐induced costs may not create strong trade‐off between breeding colouration and sperm quality or that such trade‐off become detectable only in resource‐limited conditions.
Discretization and Control of Rotating Pendulum under Lebesgue Sampling
Authors: Ohsaki Hiroshi , Iwase Masami , Hatakeyama Shoshiro
Published: October 2014

This study addresses a discretization method with Lebesgue sampling for a type of nonlinear system, and proposes a control method based on the discrete system model. A cart‐pendulum system is used as an example. Applying this control method to some real system, a crucial problem is how to implement the controller. To overcome the problem, an impulsive Luenberger observer is introduced with numerical forward mapping from the current system state to the one‐step‐ahead state by the well‐known Runge–Kutta method. As a result, a cart‐pendulum system with a rotary encoder, whose quantization interval is relatively large, can be controlled effectively. Numerical simulations are performed to verify the effectiveness of the proposed method.
Cationic antimicrobial peptides in psoriatic skin cooperate to break innate tolerance to self‐DNA
Authors: Lande Roberto , Chamilos Georgios , Ganguly Dipyaman , Demaria Olivier , Frasca Loredana , Durr Sophie , Conrad Curdin , Schröder Jens , Gilliet Michel
Published: October 2014

Psoriasis is a T‐cell‐mediated skin autoimmune disease characterized by the aberrant activation of dermal dendritic cells (DCs) and the sustained epidermal expression of antimicrobial peptides. We have previously identified a link between these two events by showing that the cathelicidin antimicrobial peptide LL37 has the ability to trigger self‐nucleic acid mediated activation of plasmacytoid DCs (pDCs) in psoriatic skin. Whether other cationic antimicrobial peptides exert similar activities is unknown. By analyzing heparin‐binding HPLC fractions of psoriatic scales, we found that human beta‐defensin (hBD)2, hBD3, and lysozyme are additional triggers of pDC activation in psoriatic skin lesions. Like LL37, hBD2, hBD3, and lysozyme are able to condense self‐DNA into particles that are endocytosed by pDCs, leading to activation of TLR9. In contrast, other antimicrobial peptides expressed in psoriatic skin including elafin, hBD1, and psoriasin (S100A7) did not show similar activities. hBD2, hBD3, and lysozyme were detected in psoriatic skin lesions in the vicinity of pDCs and found to cooperate with LL37 to induce high levels of IFN production by pDCs, suggesting their concerted role in the pathogenesis of psoriasis.
S = 2 Spin Ladders in the Sulfide Oxide BaFe2S2O
Authors: Valldor Martin , Adler Peter , Prots Yurii , Burkhardt Ulrich , Tjeng Liu Hao
Published: October 2014

Pure powder and small single crystals of BaFe2S2O were obtained by solid‐state reaction between BaO, Fe, and S in closed silica ampoules. The crystal structure contains a magnetic ladderlike sublattice of high‐spin Fe2+ (d6) tetrahedrally coordinated by three S and one O atoms. Strong antiferromagnetic spin interactions are observed far above the Néel transition (TN = 260 K). 57Fe Mössbauer spectra show typical features of Fe2+ as a doublet with large quadrupole splitting above TN and combined electric and magnetic hyperfine interaction in the magnetically ordered phase. A structural transition upon the magnetic order is discussed.
Update on the methods for monitoring UFA oxidation in food products
Authors: Kerrihard Adrian L. , Pegg Ronald B. , Sarkar Anwesha , Craft Brian D.
Published: October 2014

Unsaturated fatty acids (UFAs) as well as natural food ingredients containing them are being added to food products more often. Unfortunately, UFAs are susceptible to oxidative degradation, and can therefore reduce the stability of a food matrix. The assessment of oxidation and stability of lipids has never been standardized, and has long included a variety of approaches. These techniques can differ greatly in the reactions/compounds being assessed, and therefore the eventual conclusions may be affected dramatically by selection of methodology. The aim of this review is to provide an update on the methods of historic and current use for the assessment of lipid stability in food products. Accelerated storage tests, assessment methods of lipid oxidation, and rapid indicators of stability are discussed in the contexts of their modern prominences, uses, and concerns.

Depiction of breakdown of fatty acids into primary and secondary oxidation products. Examples of data from industry‐standard monitoring techniques are shown.
Wall materials and the presence of antioxidants influence encapsulation efficiency and oxidative stability of micro‐encapsulated shrimp oil
Authors: Takeungwongtrakul Sirima , Benjakul Soottawat , H‐kittikun Aran
Published: October 2014

The effect of different mixed wall materials including whey protein concentrate (WPC): sodium caseinate (SC) (1:1, w/w), WPC:SC:gum arabic (1:1:2, w/w/w), WPC:SC:glucose syrup (1:1:2, w/w/w) and WPC:SC:maltodextrin (1:1:2, w/w/w) on micro‐encapsulation of shrimp oil was investigated. The highest encapsulation efficiency (EE) was obtained when the mixture of WPC, SC and glucose syrup was used (84.43–88.19%), while the lowest EE was found for the sample using WPC and SC as wall materials (50.37–53.05%). All powders had low moisture contents (<3.5%) and no difference in volume‐weighted mean particle diameter (d43) was noticeable (P > 0.05). Oxidative stability of shrimp oil micro‐capsules using a mixture of WPC, SC and glucose syrup as wall materials incorporated with different antioxidants was examined during storage at 30°C for 6 weeks. With increasing storage time, an increase in peroxide value (PV) was observed (P < 0.05). The lowest PV was found in those samples with added lemon essential oil + EDTA + tannic acid after 6 weeks of storage (P < 0.05). Thus, the use of appropriate wall materials in combination with antioxidants yielded micro‐encapsulated shrimp oil with high oxidative stability.

Practical applications: Shrimp hepatopancreas, a byproduct from shrimp processing industries, is one of the important sources of lipids and astaxanthins, which are susceptible to oxidation. Micro‐encapsulation is a process by which small particles of core materials are covered with wall materials. Wall material is important in developing micro‐encapsulation. Additionally, the use of potential antioxidants in conjunction with micro‐encapsulation is required to enhance oxidative stability of shrimp oil during the extended storage.

Impact of wall materials and antioxidants on encapsulation efficiency and oxidative stability of micro‐encapsulated shrimp oil.
The influence of ground ice distribution on geomorphic dynamics since the Little Ice Age in proglacial areas of two cirque glacier systems
Authors: Bosson Jean‐Baptiste , Deline Philip , Bodin Xavier , Schoeneich Philippe , Baron Ludovic , Gardent Marie , Lambiel Christophe
Published: October 2014

Holocene glaciers have contributed to an abundance of unstable sediments in mountainous environments. In permafrost environments, these sediments can contain ground ice and are subject to rapid geomorphic activity and evolution under condition of a warming climate. To understand the influence of ground ice distribution on this activity since the Little Ice Age (LIA), we have investigated the Pierre Ronde and Rognes proglacial areas, two cirque glacier systems located in the periglacial belt of the Mont Blanc massif. For the first time, electrical resistivity tomography, temperature data loggers and differential global positioning systems (dGPS) are combined with historical documents and glaciological data analysis to produce a complete study of evolution in time and space of these small landsystems since the LIA. This approach allows to explain spatial heterogeneity of current internal structure and dynamics. The studied sites are a complex assemblage of debris‐covered glacier, ice‐rich frozen debris and unfrozen debris. Ground ice distribution is related to former glacier thermal regime, isolating effect of debris cover, water supply to specific zones, and topography. In relation with this internal structure, present dynamics are dominated by rapid ice melt in the debris‐covered upper slopes, slow creep processes in marginal glacigenic rock glaciers, and weak, superficial reworking in deglaciated moraines. Since the LIA, geomorphic activity is mainly spatially restricted within the proglacial areas. Sediment exportation has occurred in a limited part of the former Rognes Glacier and through water pocket outburst flood and debris flows in Pierre Ronde. Both sites contributed little sediment supply to the downslope geomorphic system, rather by episodic events than by constant supply. In that way, during Holocene and even in a paraglacial context as the recent deglaciation, proglacial areas of cirque glaciers act mostly as sediment sinks, when active geomorphic processes are unable to evacuate sediment downslope, especially because of the slope angle weakness. Copyright © 2014 John Wiley & Sons, Ltd.
Clinical implications of recent exodontia before diagnosis of gingival squamous cell carcinoma: A new classification
Authors: Cheng Chi‐Sheng , Chang Chien‐Ming , Hsiao Ying‐Lyung , Chan Man‐Yee , Lee Chun‐Yin , Lee Li‐Tzu , Wong Yong‐Kie
Published: October 2014

Background

The purpose of this study was to clarify the clinical implications of cases with recent dental extractions to establish a new classification of gingival squamous cell carcinoma (SCC).

Methods

A total of 156 patients were enrolled in this study. The subjects were divided into 3 groups: type I (dentate; n = 46), type II (edentulous; n = 55), and type III (dental extraction; n = 55). Continuous clinical and treatment variables were analyzed by 1‐way analysis of variance (ANOVA) or t test, and categorical variables were evaluated by chi‐square tests. Assessment of 5‐year survival rates were carried out by the Kaplan–Meier analysis, and the influence of related factors was evaluated by the log‐rank test.

Result

The 55 type III patients showed a high probability of bony invasion (80%) and a lower 5‐year survival rate (48%) than the other 2 groups.

Conclusion

Our proposed classification may help clinicians to identify patients with gingival SCC who present with more advanced disease status. © 2015 Wiley Periodicals, Inc. Head Neck 38: 339–346, 2016
Phase II trial evaluating the efficacy of sorafenib (BAY 43‐9006) and correlating early fluorodeoxyglucose positron emission tomography–CT response to outcome in patients with recurrent and/or metastatic head and neck cancer
Authors: Lalami Yassine , Garcia Camillo , Flamen Patrick , Ameye Lieveke , Paesmans Marianne , Awada Ahmad
Published: October 2014

Background

The purpose of this study was to assess the efficacy and safety of sorafenib in patients with recurrent/metastatic squamous cell carcinoma of the head and neck (SCCHN) and to explore the predictive value of early metabolic responses.

Methods

Sorafenib was administered orally at 400 mg bid on a continuous basis. The primary endpoint was the response rate. Correlation of early 18fluorodeoxyglucose (FDG) positron emission tomography (PET)‐CT response to time‐to‐event outcomes was a secondary objective.

Results

Twenty‐three patients were included in this study. Grade 3 to 4 toxicities included fatigue (22%), hand‐foot syndrome (9%), lymphopenia (17%), hyponatremia (39%), and hypophosphatemia (48%). One patient (5%) had a partial response (PR) and 12 patients (55%) had stable disease. Early metabolic response rate was 38%. Median progression‐free survival (PFS) was 2.2 months in early metabolic nonresponders (13 of 21 patients) in comparison to 7.4 months in the 8 patients with class I early metabolic response (p = .006).

Conclusion

Sorafenib showed a modest antitumor activity. Data suggest a possible role of 18FDG PET metabolic response as an early predictor of a prolonged PFS. © 2015 Wiley Periodicals, Inc. Head Neck 38: 347–354, 2016
Behavior analysts can be interdisciplinary too: A review of Durand's Autism Spectrum Disorder
Authors: Smith Tristram
Published: October 2014

V. Mark Durand's (2013) book, Autism Spectrum Disorder: A Clinical Guide for General Practitioners, eases readers into the vast scientific literature on individuals with autism spectrum disorder (ASD), encourages behavior analysts to examine our place in this literature, and illustrates how we might communicate effectively with a general audience. Durand shows that we have developed many beneficial interventions for individuals with ASD yet may harbor obsolete views about what ASD is. Moreover, his description of ASD suggests that we should consider expanding our range of treatment targets and serve a broader segment of the ASD population. He also shows that investigators in disciplines outside applied behavior analysis (ABA) have contributed to understanding the causes and characteristics of ASD. Thus, rather than focusing mainly on ABA, Durand portrays ABA as one of many disciplines engaged in productive research on ASD; this portrayal may be both accurate and effective as a communication strategy.
Treasurer's Bribery Risk Update
Authors: Shapiro David
Published: October 2014

Proper cash management is one of a treasurer's key responsibilities. Regulators, such as the U.S. Department of Justice and the U.K. Serious Fraud Office, are always watching for evidence of bribery. And treasurers know that regulators' enforcement actions can bring high costs and threats to reputation and goodwill. But focusing on bribery risk is not the same as reducing it, warns the author of this article. The conditions promoting this risk—such as low wages and nontransparent decision making—are as virulent as ever. And that is true in spite of updated internal controls, better training, and high‐tech tools. Exactly what is the current situation, and what should treasurers do?© 2014 Wiley Periodicals, Inc.
Managing Bankruptcy and Default Risk
Authors: Woodlock Peter , Dangol Ramesh
Published: October 2014

Understanding and managing bankruptcy and default risk is a treasury imperative. The authors discuss various default/bankruptcy scoring models that a firm can use to measure its bankruptcy and default risk for its key customers, key suppliers, key investees, and others with whom the firm transacts. Then, they highlight strategies a firm can employ to limit bankruptcy and default risk exposure of bankruptcy filings by the firm's key suppliers, customers, and others.
Cell‐Type Variation in Stress Responses as a Consequence of Manipulating GRP78 Expression in Neuroectodermal Cells
Authors: Martin Shaun , Lovat Penny E. , Redfern Chris P.F.
Published: October 2014

Glucose‐regulated protein 78 (GRP78) is a stress sensor which interacts with unfolded protein response (UPR) activators in the endoplasmic reticulum (ER). The aim of this study was to test the hypothesis that GRP78 has distinct functional roles in mediating the effects of ER stress in neuroblastoma compared to other neuroectodermal cancer types. GRP78 was knocked down or overexpressed in neuroectodermal tumor cell lines. Protein and transcript expression were measured using Western blotting, confocal microscopy, and real‐time polymerase chain reaction; cell stress was assessed by measurement of oxidative stress and accumulation of ubiquitinated proteins and cell response by measurement of apoptosis and cell viability. Neuroblastoma cells were more sensitive to ER stress than melanoma and glioblastoma cells. GRP78 knockdown increased stress sensitivity of melanoma and glioblastoma cells, but not neuroblastoma cells. Over‐expression of GRP78 decreased the stress sensitivity of melanoma and glioblastoma cells but, in contrast, increased the stress sensitivity of neuroblastoma cells by activation of caspase‐3‐independent cell death and substantially increased the expression of UPR activators, particularly inositol‐requiring element 1 (IRE1). The results from this study suggest that cell‐type specific differences in the relationships between GRP78 and the UPR activators, particularly IRE1, may determine differential sensitivity to ER stress. J. Cell. Biochem. 116: 438–449, 2015. © 2014 Wiley Periodicals, Inc.
Symbolic Calculation of Two‐Center Overlap Integrals Over Slater‐Type Orbitals
Authors: Gümüş Sedat , Özdoǧan Telhat
Published: October 2014

Two‐center overlap integrals over Slater type orbitals (STOs) have been expressed in terms of the well‐known Mulliken's integrals Bn(pt) using Rodrigues's formula for normalized associated Legendre functions. A computer program is written in Mathematica 4.0 for the evaluation of two‐center overlap integrals over STOs. Using this computer program, symbolic tables are presented for two‐center overlap integrals up to quantum numbers 1 ≤ n,n′ ≤ 3, 0 ≤ l,l′ ≤ 2, −2 ≤ m,m′ ≤ 2. Numerical results of this work, for some quantum sets, have also been compared with prior literature and best agreement achieved with recent works of Barnett while some discrepancies were obtained with works of Öztekin et al. and Guseinov et al.
Study on the Solid Phase Extraction of Hg(II)‐ABR Chelate with C18 Disks and its Application to the Determination of Mercury in Tobacco and Tobacco Additives
Authors: Chen Zhangyu , Yang Guangyu , Hu Qiufen , Yin Jiayuan , Su Qingde
Published: October 2014

A highly sensitive, selective and rapid method for the determination of mercury based on the rapid reaction of mercury(II) with 5‐(p‐aminobenzylidene)‐rhodanine (ABR) and the solid phase extraction of the colored chelate with C18 disks has been developed. In the presence of pH = 3.5 sodium acetate‐acetic acid buffer solution and Emulsifier‐OP medium, ABR reacts with mercury(II) to form a red chelate of a molar ratio 1:2 (mercury to ABR). This chelate was enriched by the solid phase extraction with C18 disks and eluted the retained chelate from the disks with dimethyl formamide (DMF). The enrichment factor of 50 was achieved. In the DMF medium, the molar absorptivity of the chelate is 1.16 × 105 L.mol−1.cm−1 at 540 nm. Beer's law is obeyed in the range of 0.01˜3 μg/mL in the measured solution. The relative standard deviation for eleven replicated samples of 0.01 μg/mL level is 1.83%. This method was applied to the determination of mercury in tobacco and tobacco additives with good results.
A Mild Isomerization Reaction for β,γ‐Unsaturated Ketone to α,β‐Unsaturated Ketone
Authors: Lee Adam Shih‐Yuan , Lin Mei‐Chun , Wang Shu‐Huei , Lin Li‐Shin
Published: October 2014

A series of β,γ‐unsaturated ketones were isomerized to their corresponding α,β‐unsaturated ketones by the introduction of DABCO in iPrOH at room temperature. The endo‐cyclic double bond (β,γ‐position) on ketone was rearranged to exo‐cyclic double bond (α,β‐position) under the reaction conditions.
Partiell benzylierte Kohlenhydrate, 2. Synthese aller Methyl‐mono‐, Methyl‐di‐ und Methyl‐tri‐O‐benzyl‐α‐D‐glucopyranoside.
Authors: Küster Jürgen M , Dyong Ingolf
Published: October 2014

Durch Kombinationen von Benzylierungs‐ und reversiblen Allylierungsreaktionen werden aus Methyl‐4.6‐O‐benzyliden‐z‐D‐glucosid (2)alle 14 Mono‐, Di‐, und Tri‐O‐benzyläther des Methyl‐α‐D‐glucopyranosids (1) synthetisiert.
Entmethylierung von Tropanderivaten mit Phosgen
Authors: Banholzer Rolf , Heusner Alex , Schulz Werner
Published: October 2014

Tropanderivate lassen sich in einfacher Weise durch Einwirkung von Phosgen entmethylieren. Die entstandenen N‐Chlorformylverbindungen werden durch Wasser glatt zu den entsprechenden Norverbindungen verseift.
Umlagerungen vinyloger Carbonsäaureehloride, XIII. 2H‐Pyran‐Valenzisomerisierung von 3‐Acetyl‐5,6,6‐trichlor‐3,5‐hexadien‐2‐on und sigmatrope [1,5]‐Verschiebung zum 3‐Acetyl‐2,5,6‐trichlor‐2‐methylpyran
Authors: Roedig Alfred , Hilberth Josef , Renk Hans Arnd
Published: October 2014

Aus den CO‐Frequenzen im IR und dem chemischen Verhalten wird für das aus Trichloracrolein und Acetylaceton erhaltene Kondensationsprodukt 1 eine Bevorzugung der s‐cis‐Konformation abgeleitet. Dadurch wird die Valenzisomerisierung zum Pyran 3 und die Bildung des Pyrons 4 sehr begünstigt. 1 lagert sich bereits bei 50–60°C rasch in 3 und durch nachfolgende [1,5]‐Chlorverschiebung sofort weiter in das stabilere Pyran 15 um. Das merocyaninartige Bindungssystem von 15 verhindert den Pyryliumringschluß mit Lewis‐Säuren. Die Pyryliumsalze 18 sind nur aus 1, wahrscheinlich über 3 erhältlich. Bei weiterer thermischer Belastung von 15 bleibt die erwartete Ringöffnung zum Säurechlorid 16 aus. Stattdessen tritt schon bei 90°C Dehydrochlorierung zu 17 ein. Die konstitutionellen Zusammenhänge werden durch weitere Reaktionen erhärtet. Die Hydrolyse von 15, 18 und protoniertem 17 ergibt das Pyron 4 Mit 2,4‐Dinitrophenylhydrazin wird 1 in das Monohydrazon 6 oder in das Pyridon 8 übergeführt, während 4, 15 und 17 das Pyron‐hydrazon 5 ergeben. Weitere bemerkenswerte Derivate sind das Pyridon‐hydrazon 8 und das Pyrazol 10 aus 6 sowie das acetylsubstituierte Pyridon 13a aus 1, 4 und 15 mit Anilin.
Über Valoneagerbstoffe, V. Trillosäure, eine neue Phenolcarbonsäure aus Valoneagerbstoffen
Authors: Mayer Walter , Busath Harald , Schick Hartmut
Published: October 2014

Valolaginsäure1) (1) liefert bei saurer Hydrolyse neben Ellagsäure eine kristalline Verbindung 3 (Trillosäuretrilacton. C21H12O14), von welcher die Derivate 3a–c dargestellt wurden. Die Verbindungen 3 enthalten eine Ellagsäuregruppierung, die durch eine CC‐Bindung mit dem λ‐Lacton einer λ‐Carboxy‐α‐hydroxyadipinsäure verbunden ist. Weitere 1H‐NMR‐Untersuchungen belegen mit der extremen Tieffeldverschiebung von H3* die Verknüpfung im Sinne der Formel 3. Die in Valolaginsäure gebundene Trillosäure besitzt danach die Konstitution 2, womit der Strukturvorschlag 1 für Valolaginsaure1) bestätigt ist.
Diborylamine mit funktionellen Gruppen am Bor
Authors: Barlos Kleomenis , Christl Hans , Nöth Heinrich
Published: October 2014

Die thermische Stabilität von Diborylaminen wird durch die sterisch anspruchsvolle Trimethylsilygruppe am zentralen N‐Atom beträchtlich erhöht. Ausgehend von N[Si(CH)3]3 and CH3 BBr2 ist das Diborylamin (CH3)3Si‐ N(BBrCH3)2 zugänglich, dessen Br‐Atome sich teilweise oder völlig gegen (CH3)2N‐, CH3O‐ oder CH3S‐Gruppen austauschen lassen. Alle diese Diborylborlamine mit funktionellen Gruppen am Bor sind mindestens bis 150°C stabil. Die BBr3 ‐ Umsetzung von (CH3) and schließlich Br(CH)Si‐N (BB4CH3)2. Struktur and Bindungsverhältnisse der neuen Diborylamine werden an Hand der NMR‐Daten besprochen.
Cycloadditionsreaktionen von Heterokumulenen, VII. 1, 4‐Dipole aus Vinylidendiaminen und Isocyanaten order Isothiocyanaten
Authors: Schaumann Ernst , Sieveking Stefan
Published: October 2014

Die Yinylidendiamine 1 reagieren mit den Arylisothiocyanaten 2 zu einem Gleichgewichtssystem mit den Dipolen 3, von denen 3a‐c in Substanz isoliert werden konnten. Die Dipole 3 wurden durch Hydrolyse, Protonierung und Methylierung zu 7‐9 charakterisiert. Kinetische Untersuchungen zeigen, daß die Reaktion durch steigende Nucleophilie von 1 und zunehmende Elektrophilie von 2 begünstigt wird. Mit dem Sulfonylisocyanat 10 und den Sulfonylisothiocyanaten 11 bilden die Verbindungen 1 die stabilen Dipole 12 bzw. 13C.
Raman spectroscopic characterization of urine of normal and oral cancer subjects
Authors: Elumalai Brindha , Prakasarao Aruna , Ganesan Bharanidharan , Dornadula Koteeswaran , Ganesan Singaravelu
Published: October 2014

Urine is considered as one of the diagnostically important bio fluids, as it has many metabolites. The distribution and the physiochemical properties of the metabolites may vary during any altered metabolic and pathological conditions. Raman spectroscopy was employed in the characterization of the metabolites of human urine of normal subjects and oral cancer patients in the finger print region (500–1800 cm−1). Principal component analysis‐based linear discriminant analysis was performed to discriminate cancer patients from normal subjects. The discriminant analysis classifies the cancer patients from normal subjects with a sensitivity and specificity of 98.6% and 87.1%, respectively, with an overall accuracy of 93.7%. Copyright © 2014 John Wiley & Sons, Ltd.
Dirichlet problem for a nonlinear generalized Darcy–Forchheimer–Brinkman system in Lipschitz domains
Authors: Groşan Teodor , Kohr Mirela , Wendland Wolfgang L.
Published: October 2014

The purpose of this paper is to show existence of a solution of the Dirichlet problem for a nonlinear generalized Darcy–Forchheimer–Brinkman system in a bounded Lipschitz domain in
, with small boundary datum in L2‐based Sobolev spaces. A useful intermediary result is the well‐posedness of the Poisson problem for a generalized Brinkman system in a bounded Lipschitz domain in
, with Dirichlet boundary condition and data in L2‐based Sobolev spaces. We obtain this well‐posedness result by showing that the matrix type operator associated with the Poisson problem is an isomorphism. Then, we combine the well‐posedness result from the linear case with a fixed point theorem in order to show the existence of a solution of the Dirichlet problem for the nonlinear generalized Darcy–Forchheimer–Brinkman system. Some applications are also included. Copyright © 2014 John Wiley & Sons, Ltd.
The Bresse system in thermoelasticity
Authors: Said‐Houari Belkacem , Soufyane Abdelaziz
Published: October 2014

In this paper, we consider the Bresse system coupled with the Fourier law of heat conduction. We prove that the decay rate of the solution is very slow. In fact, we show that the L2‐norm of the solution decays with the rate of (1 + t)−1/12 similar to the one obtained for the Timoshenko system. In addition, we found that the wave speed of the first two equations still control the decay rate of the solution with respect to the regularity of the initial data. This seems to be the first result dealing with the behavior of the Cauchy problem in the Bresse–Fourier model. Copyright © 2014 John Wiley & Sons, Ltd.
A decomposition‐based approach to uncertainty analysis of feed‐forward multicomponent systems
Authors: Amaral Sergio , Allaire Douglas , Willcox Karen
Published: October 2014

To support effective decision making, engineers should comprehend and manage various uncertainties throughout the design process. Unfortunately, in today's modern systems, uncertainty analysis can become cumbersome and computationally intractable for one individual or group to manage. This is particularly true for systems comprised of a large number of components. In many cases, these components may be developed by different groups and even run on different computational platforms. This paper proposes an approach for decomposing the uncertainty analysis task among the various components comprising a feed‐forward system and synthesizing the local uncertainty analyses into a system uncertainty analysis. Our proposed decomposition‐based multicomponent uncertainty analysis approach is shown to be provably convergent in distribution under certain conditions. The proposed method is illustrated on quantification of uncertainty for a multidisciplinary gas turbine system and is compared to a traditional system‐level Monte Carlo uncertainty analysis approach. Copyright © 2014 John Wiley & Sons, Ltd.
Analysis of an HDG method for linear elasticity
Authors: Fu G. , Cockburn B. , Stolarski H.
Published: October 2014

We present the first a priori error analysis for the first hybridizable discontinuous Galerkin method for linear elasticity proposed in Internat. J. Numer. Methods Engrg. 80 (2009), no. 8, 1058–1092. We consider meshes made of polyhedral, shape‐regular elements of arbitrary shape and show that, whenever piecewise‐polynomial approximations of degree are used and the exact solution is smooth enough, the antisymmetric part of the gradient of the displacement converges with order k, the stress and the symmetric part of the gradient of the displacement converge with order k + 1/2, and the displacement converges with order k + 1. We also provide numerical results showing that the orders of convergence are actually sharp. Copyright © 2014 John Wiley & Sons, Ltd.
A collocated C0 finite element method: Reduced quadrature perspective, cost comparison with standard finite elements, and explicit structural dynamics
Authors: Schillinger Dominik , Evans John A. , Frischmann Felix , Hiemstra René R. , Hsu Ming‐Chen , Hughes Thomas J.R.
Published: October 2014

We demonstrate the potential of collocation methods for efficient higher‐order analysis on standard nodal finite element meshes. We focus on a collocation method that is variationally consistent and geometrically flexible, converges optimally, embraces concepts of reduced quadrature, and leads to symmetric stiffness and diagonal consistent mass matrices. At the same time, it minimizes the evaluation cost per quadrature point, thus reducing formation and assembly effort significantly with respect to standard Galerkin finite element methods. We provide a detailed review of all components of the technology in the context of elastodynamics, that is, weighted residual formulation, nodal basis functions on Gauss–Lobatto quadrature points, and symmetrization by averaging with the ultra‐weak formulation. We quantify potential gains by comparing the computational efficiency of collocated and standard finite elements in terms of basic operation counts and timings. Our results show that collocation is significantly less expensive for problems dominated by the formation and assembly effort, such as higher‐order elastostatic analysis. Furthermore, we illustrate the potential of collocation for efficient higher‐order explicit dynamics. Throughout this work, we advocate a straightforward implementation based on simple modifications of standard finite element codes. We also point out the close connection to spectral element methods, where many of the key ideas are already established. Copyright © 2014 John Wiley & Sons, Ltd.
Using controlled radical polymerization to confirm the lower critical solution temperature of an N‐(alkoxyalkyl) acrylamide polymer in aqueous solution
Authors: Savelyeva Xeniya , Li Lucia , Marić Milan
Published: October 2014

N‐(3‐Methoxypropyl) acrylamide (MPAM) was polymerized by controlled radical polymerization (CRP) methods such as nitroxide‐mediated polymerization (NMP) and reversible addition–fragmentation chain‐transfer polymerization (RAFT). CRP was expected to yield well‐defined polymers with sharp lower critical solution temperature (LCST) transitions. NMP with the BlocBuilder (2‐([tert‐butyl[1‐(diethoxyphosphoryl)‐2,2‐dimethylpropyl]amino]oxy)‐2‐methylpropanoic acid) and SG1 ([tert‐butyl[1‐(diethoxyphosphoryl)‐2,2‐dimethylpropyl]amino] oxidanyl) initiating system revealed low yields and lack of control (high dispersity, Đ ∼ 1.5–1.6, and inhibition of chain growth). However, RAFT was far more effective, with linear number average molecular weight,
, versus conversion, X, plots, low Đ ∼ 1.2–1.4 and the ability to form block copolymers using N,N‐diethylacrylamide (DEAAM) as the second monomer. Poly(MPAM) (with
 = 13.7–25.3 kg mol−1) thermoresponsive behavior in aqueous media revealed cloud point temperatures (CPT)s between 73 and 92 °C depending on solution concentration (ranging from 1 to 3 wt %). The
and the molecular weight distribution were the key factors determining the CPT and the sharpness of the response, respectively. Poly(MPAM)‐b‐poly(DEAAM) block copolymer (
 = 22.3 kg mol−1, Đ = 1.41, molar composition FDEAAM = 0.38) revealed dual LCSTs with both segments revealing distinctive CPTs (at 75 and 37 °C for poly(MPAM) and poly(DEAAM) blocks, respectively) by both UV–Vis and dynamic light scattering. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 59–67
On the stability of nanoparticles coated with polyelectrolytes in high salinity solutions
Authors: Nap Rikkert J. , Park Sung Hyun , Szleifer Igal
Published: October 2014

We have developed and applied a molecular theory that enables the investigation of the interactions between polyelectrolyte coated nanoparticles (NPs) in aqueous solutions. Potential applications of polyelectrolyte‐coated NPs involve nanosensors for oil well characterization. To account for the high salinity environment encountered in an oil well or brine solution, we also considered in the theoretical description counterion condensation as well as ion–ion paring. We identified the design criteria to achieve dispersion stability of NPs coated with either polyacrylic acid (pAA), poly acrylamido‐2‐methylpropane sulfonate (pAMPS), or an alternating copolymer of acrylic acid and acrylamido‐2‐methylpropane sulfonate (pAA‐a‐AMPS) under brine‐like conditions and quantified the effects of NP core size, molecular weight, density of the polyelectrolyte coating, and polymer chemistry. The results were summarized in stability diagrams, which predict the polymer surface coverage and molecular weight that is required for the NP solution to remain dispersed. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014, 52, 1689–1699
Cage Compounds as Potential Energetic Oxidizers: A Theoretical Study of a Cage Isomer of N2O3
Authors: Buszek Robert J. , Boatz Jerry A.
Published: October 2014

Ab initio electronic structure calculations are employed to investigate the cage isomer of N2O3 (c‐N2O3) as a viable energetic oxidizer. c‐N2O3 is vibrationally stable with a large heat of formation of 7.95 kJ g−1 and can produce larger enthalpies of combustion than other commonly used oxidizers such as ammonium perchlorate, O2(l) and N2O4. c‐N2O3 is shown to have a unimolecular decomposition barrier of 24.4 kJ mol−1 at the CCSD(T)/CBS(Q‐5) level of theory, and a dimer‐induced decomposition barrier of 100.8 kJ mol−1. Although c‐N2O3 is predicted to perform well as an oxidizer, the low barrier to unimolecular decomposition is likely to render it impractical as an energetic oxidizer.
Cholesterol‐conjugated peptide antivirals: a path to a rapid response to emerging viral diseases
Authors: Pessi Antonello
Published: October 2014

While it is now possible to identify and genetically fingerprint the causative agents of emerging viral diseases, often with extraordinary speed, suitable therapies cannot be developed with equivalent speed, because drug discovery requires information that goes beyond knowledge of the viral genome. Peptides, however, may represent a special opportunity.

For all enveloped viruses, fusion between the viral and the target cell membrane is an obligatory step of the life cycle. Class I fusion proteins harbor regions with a repeating pattern of amino acids, the heptad repeats (HRs), that play a key role in fusion, and HR‐derived peptides such as enfuvirtide, in clinical use for HIV, can block the process. Because of their characteristic sequence pattern, HRs are easily identified in the genome by means of computer programs, providing the sequence of candidate peptide inhibitors directly from genomic information.

Moreover, a simple chemical modification, the attachment of a cholesterol group, can dramatically increase the antiviral potency of HR‐derived inhibitors and simultaneously improve their pharmacokinetics. Further enhancement can be provided by dimerization of the cholesterol‐conjugated peptide. The examples reported so far include inhibitors of retroviruses, paramyxoviruses, orthomyxoviruses, henipaviruses, coronaviruses, and filoviruses. For some of these viruses, in vivo efficacy has been demonstrated in suitable animal models.

The combination of bioinformatic lead identification and potency/pharmacokinetics improvement provided by cholesterol conjugation may form the basis for a rapid response strategy, where development of an emergency cholesterol‐conjugated therapeutic would immediately follow the availability of the genetic information of a new enveloped virus. Copyright © 2014 European Peptide Society and John Wiley & Sons, Ltd.
Law of large numbers for the SIR epidemic on a random graph with given degrees
Authors: Janson Svante , Luczak Malwina , Windridge Peter
Published: October 2014

We study the susceptible‐infective‐recovered (SIR) epidemic on a random graph chosen uniformly subject to having given vertex degrees. In this model infective vertices infect each of their susceptible neighbours, and recover, at a constant rate. Suppose that initially there are only a few infective vertices. We prove there is a threshold for a parameter involving the rates and vertex degrees below which only a small number of infections occur. Above the threshold a large outbreak occurs with probability bounded away from zero. Our main result is that, conditional on a large outbreak, the evolutions of certain quantities of interest, such as the fraction of infective vertices, converge to deterministic functions of time. We also consider more general initial conditions for the epidemic, and derive criteria for a simple vaccination strategy to be successful. In contrast to earlier results for this model, our approach only requires basic regularity conditions and a uniformly bounded second moment of the degree of a random vertex. En route, we prove analogous results for the epidemic on the configuration model multigraph under much weaker conditions. Essentially, our main result requires only that the initial values for our processes converge, i.e. it is the best possible. © 2014 Wiley Periodicals, Inc. Random Struct. Alg., 45, 726–763, 2014
Single‐Mode Lasing from Colloidal Water‐Soluble CdSe/CdS Quantum Dot‐in‐Rods
Authors: Di Stasio Francesco , Grim Joel Q. , Lesnyak Vladimir , Rastogi Prachi , Manna Liberato , Moreels Iwan , Krahne Roman
Published: October 2014

Core–shell CdSe/CdS nanocrystals are a very promising material for light emitting applications. Their solution‐phase synthesis is based on surface‐stabilizing ligands that make them soluble in organic solvents, like toluene or chloroform. However, solubility of these materials in water provides many advantages, such as additional process routes and easier handling. So far, solubilization of CdSe/CdS nanocrystals in water that avoids detrimental effects on the luminescent properties poses a major challenge. This work demonstrates how core–shell CdSe/CdS quantum dot‐in‐rods can be transferred into water using a ligand exchange method employing mercaptopropionic acid (MPA). Key to maintaining the light‐emitting properties is an enlarged CdS rod diameter, which prevents potential surface defects formed during the ligand exchange from affecting the photophysics of the dot‐in‐rods. Films made from water‐soluble dot‐in‐rods show amplified spontaneous emission (ASE) with a similar threshold (130 μJ/cm2) as the pristine material (115 μJ/cm2). To demonstrate feasibility for lasing applications, self‐assembled microlasers are fabricated via the “coffee‐ring effect” that display single‐mode operation and a very low threshold of ∼10 μJ/cm2. The performance of these microlasers is enhanced by the small size of MPA ligands, enabling a high packing density of the dot‐in‐rods.