bluuebunny/crossref_metadata_2025_split huggingface dataset:
Brief Report: Calculating the Ankylosing Spondylitis Disease Activity Score If the Conventional C‐Reactive Protein Level Is Below the Limit of Detection or If High‐Sensitivity C‐Reactive Protein Is Used: An Analysis in the DESIR Cohort
Authors: Machado Pedro , Navarro‐Compán Victoria , Landewé Robert , van Gaalen Floris A. , Roux Christian , van der Heijde Désirée 
Published: October 2014

ObjectiveThe Ankylosing Spondylitis Disease Activity Score (ASDAS) is a composite measure of disease activity in axial spondyloarthritis. The aims of this study were to determine the most appropriate method for calculating the ASDAS using the C‐reactive protein (CRP) level when the conventional CRP level was below the limit of detection, to determine how low CRP values obtained by high‐sensitivity CRP (hsCRP) measurement influence ASDAS‐CRP results, and to test agreement between different ASDAS formulae.MethodsPatients with axial spondyloarthritis who had a conventional CRP level below the limit of detection (5 mg/liter) were selected (n = 257). The ASDAS–conventional CRP with 11 different imputations for the conventional CRP value (range 0–5 mg/liter, at 0.5‐mg/liter intervals) was calculated. The ASDAS‐hsCRP and ASDAS using the erythrocyte sedimentation rate (ESR) were also calculated. Agreement between the ASDAS formulae was tested.ResultsThe ASDAS‐hsCRP showed better agreement with the ASDAS‐CRP calculated using the conventional CRP imputation values of 1.5 and 2.0 mg/liter and with the ASDAS‐ESR than with other imputed formulae. Disagreement occurred mainly in lower disease activity states (inactive/moderate disease activity). When the CRP value was <2 mg/liter, the resulting ASDAS‐CRP scores may have been inappropriately low.ConclusionWhen the conventional CRP level is below the limit of detection or when the hsCRP level is <2 mg/liter, the constant value of 2 mg/liter should be used to calculate the ASDAS‐CRP score. There is good agreement between the ASDAS‐hsCRP and ASDAS‐ESR; however, formulae are not interchangeable.
Natural resolution or intervention for fluid collections in acute severe pancreatitis
Authors: Sarathi Patra P , Das K , Bhattacharyya A , Ray S , Hembram J , Sanyal S , Dhali G K 
Published: October 2014

Abstract

Background
Revisions in terminology of fluid collections in acute pancreatitis have necessitated reanalysis of their evolution and outcome. The course of fluid collections in patients with acute pancreatitis was evaluated prospectively.

Methods
Consecutive adults with acute pancreatitis, who had contrast-enhanced CT (CECT) within 5–7 days of symptom onset, were enrolled in a prospective cohort study in a tertiary-care centre. Patients were treated according to standard guidelines. Follow-up transabdominal ultrasonography was done at 4-week intervals for at least 6 months. CECT was repeated at 6–10 weeks, or at any time if there were new or persistent symptoms. Asymptomatic collections were followed until spontaneous resolution. Risk factors for pancreatic pseudocysts or walled-off necrosis (WON) were assessed in multivariable analyses.

Results
Of 122 patients with acute pancreatitis, 109 were analysed. Some 91 patients (83·5 per cent) had fluid collections at baseline. Eleven of 29 with interstitial oedematous pancreatitis had acute peripancreatic fluid collections, none of which evolved into pseudocysts. All 80 patients with acute necrotizing pancreatitis had at least one acute necrotizing collection (ANC); of these, five patients died (2 after drainage), three underwent successful drainage within 5 weeks, and collections resolved spontaneously in 33 and evolved into WON in 39. By 6 months' follow-up, WON had required drainage in eight patients, resolved spontaneously in 23 and was persistent but asymptomatic in seven. Factors associated with increased risk of WON were blood urea nitrogen 20 mg/dl or more (odds ratio (OR) 10·96, 95 per cent c.i. 2·57 to 46·73; P = 0·001) and baseline ANC diameter greater than 6 cm (OR 14·57, 1·60 to 132·35; P = 0·017). Baseline ANC diameter over 6 cm was the only independent predictor of either the need for drainage or persistence of such collections beyond 6 months (hazard ratio 6·61, 1·77 to 24·59; P = 0·005).

Conclusion
Pancreatic pseudocysts develop infrequently in oedematous acute pancreatitis. Only one-quarter of ANCs either require intervention or persist beyond 6 months, whereas more than one-half of WONs resolve without any intervention within 6 months of onset. Baseline diameter of ANC(s) is an important predictor of outcome.
From Cats and Blackcurrants: Structure and Dynamics of the Sulfur‐Containing Cassis Odorant Cat Ketone
Authors: Mouhib Halima , Stahl Wolfgang 
Published: October 2014

AbstractSulfur‐containing odorants and flavors play an important role in flavor and food industry, especially when meaty, garlic, onion, and vegetable scents are needed. Still, many S‐containing flavors also possess fruity scents and may be used in compositions of perfumes that require a fresh and fruity odor perception. They are naturally abundant in various fruits, essential oils, and food. Most of these compounds possess strong scents, and their scent composition is highly dependent on the concentration applied. At higher concentrations, they usually feature repellent off‐odors, while their sweet and fruity nature is only experienced at very low concentrations. This represents a challenge for their application in perfumery, as well as in food industry. From a molecular point of view, the endless structural and scent variety of these compounds makes them fascinating, especially as their O‐analogs are usually free of any malodors. Here, we report on the investigation of the gas‐phase structure and dynamics of the S‐containing blackcurrant odorant cat ketone (4‐methyl‐4‐sulfanylpentan‐2‐one). The work was performed by combining quantum‐chemical calculations and molecular‐beam Fourier‐transform microwave spectroscopy as complementary tools. Using this technique, we are able to determine the structures of sizeable molecules where energy differences are small and conformational distinction is not always possible by quantum‐chemical calculations alone. The presented results can be used for further structureactivity correlation studies, as well as for benchmarks to improve theoretical models, especially, as there is still significant interest in characterizing the various conformers of organic molecules in terms of relative energies, structures, and dipole moments.
A General and Concise Enantioselective Divergent Approach to 13‐Alkyl‐Substituted Ionones
Authors: Bugoni Serena , Merlini Valentina , Porta Alessio , Zanoni Giuseppe , Vidari Giovanni 
Published: October 2014

AbstractA novel enantioselective divergent route to 13‐alkyl derivatives of α‐ and γ‐ionone, important components of perfumes and fragrances, is reported. This relatively short and convenient methodology takes advantage of the use of a common intermediate, easily obtained from highly enantiomerically enriched (S)‐α‐ionone, which avoids the separate installation of the butenone side chain at C(6) for each analog. Olfactory evaluation of synthesized compounds reconfirmed the influence of the hydrophobic interactions of alkyl substituents at C(5) with olfactory receptors (ORs) in the chemoreception of ionones, and suggested that a synperiplanar orientation of C(13) and the lateral chain is the better geometry fitting OR's cavity.
From Cassyrane to Cashmeran – The Molecular Parameters of Odorants
Authors: Kraft Philip , Di Cristofaro Valeria , Jordi Samuel 
Published: October 2014

AbstractThis review, including some new experimental results, is the summary of a talk at the ‘flavors & fragrances 2013’ conference in Leipzig, organized jointly by the GDCh, the Liebig‐Vereinigung, and the EuCheMS. After times of searching for natural odor principles and serendipitous discoveries by chemical inspiration, directed odorant design today offers the highest hit rates for the discovery of new odorants, although serendipity still plays a role. Keeping intact the electronic shape required for a certain olfactophore‐binding geometry, one can add or subtract structural elements, rigidify molecular structures, or introduce more structural flexibility. To find out which structural features are critical, the ‘seco‐approach’, in which different fragments are removed by cutting strategic bonds, is the most analytical. Following this approach, such ingredients as Serenolide, Sylkolide, and Pomarose were designed. Transferring this design principle from the family of damascones to that of the theaspiranes led to the discovery of Cassyrane, though completely different structural features turned out to be relevant. Application of the seco‐concept to a 3,7a‐substituted 2,6,7,7a‐tetrahydro‐1H‐inden‐5‐yl musk lead structure derived from carotol resulted in the discovery of a new family of dienone musks with novel structureodor correlations. However, cutting the C(2)O bond of Cassyrane and oxidizing the resulting seco‐structure to the 1,2,5,1″‐tetradehydro derivative links the family of dienone musks with that of blackcurrant odorants, but the resulting target structures turned out to be potent orris odorants. (3E,5E)‐5‐(tert‐Butyl)octadeca‐3,5‐dien‐2‐one even possesses the lowest odor threshold in the whole ionone family (0.036 ng/l air), which could be rationalized by a superposition analysis on (−)‐cis‐γ‐irone. In the course of the synthesis of these high‐impact orris odorants, we discovered that, depending on the reaction conditions, the dehydration step of the intermediate 5‐hydroxyalk‐3‐yn‐2‐ones was accompanied by a carbenium‐ion rearrangement. Depending on the substitution pattern, these rearrangement products and their derivatives possessed interesting musky‐woody olfactory properties reminiscent of Cashmeran, demonstrating that the same structural elements can code for completely different odors, i.e., cassis, musk, orris, violet, and Cashmeran‐type, depending only on their spatial arrangement.
γ‐Unsaturated Aldehydes as Potential Lilial Replacers
Authors: Schroeder Martin , Mathys Marion , Ehrensperger Nadja , Büchel Michelle 
Published: October 2014

AbstractA series of Claisen rearrangements was undertaken in order to find a replacement for Lilial (=3‐(4‐(tert‐butyl)phenyl)‐2‐methylpropanal), a high‐tonnage perfumery ingredient with a lily‐of‐the‐valley odour, which is a CMR2 material [1]. 5,7,7‐Trimethyl‐4‐methyleneoctanal (10), the synthesis of which is described, became the main lead. It possesses an odour which is very close to that of Lilial but lacks its substantivity. Aldehydes with higher molecular weights than that of 10 were, therefore, synthesised in order to boost substantivity and to understand the structural requirements for a ‘Lilial’ odour. The aldehydes were obtained via Claisen rearrangements of ‘exo‐methylidene’ vinyl ethers, allenyl vinyl ethers, or allenyl allyl ethers. Alternatively, coupling of terminal alkynes with allyl alcohols led to the desired aldehydes. Derivatives of 10 and their sila analogues were also synthesised. The olfactory properties of all synthesised molecules were evaluated for possible structureodour relationships (SOR).
The Importance of New Molecules in Selective Perfumery
Authors: Roucel Maurice , Grau Fanny 
Published: October 2014

AbstractPerfumery can only evolve thanks to new ingredients. We highlight herein some key molecules and their use in ‘Selective Perfumery’: the violet odorant undecavertol, the floral nerolione and coumarone, the gourmand cappuccino levistamel, the sandalwood notes Sandranol® or Bacdanol®, the fruity top note Magnolia Flower oil, and finally the woody ambery Ambrocenide®.
Synergistic Effects of Trace Amounts of Water in the Enantiodiscrimination Processes by Lipodex E: A Spectroscopic and Computational Investigation
Authors: Uccello‐Barretta Gloria , Schurig Volker , Balzano Federica , Vanni Letizia , Aiello Federica , Mori Mattia , Ghirga Francesca 
Published: October 2014

AbstractNuclear magnetic resonance (NMR) investigations on mixtures containing octakis(3‐O‐butanoyl‐2,6‐di‐O‐pentyl)‐γ‐cyclodextrin (Lipodex E) and each enantiomer of methyl‐2‐chloropropionate (MCP) ascertained the role of trace amounts of water in the enantiodiscrimination processes. Water is deeply included into the cyclodextrin and favors the formation of the inclusion complex with (S)‐MCP, whereas (R)‐MCP is only slightly affected, thus causing a significant increase of NMR differentiation. Molecular dynamics simulations were performed to shed light on the possible behavior of Lipodex E in different conditions (i.e., solvent, inclusion complexes), providing energetic and atomistic details that are in agreement with NMR observations. Chirality 27:95–103, 2014. © 2014 Wiley Periodicals, Inc.
New coalition formation game for spectrum sharing in cognitive radio networks
Authors: Hamouda Soumaya , El‐Bessi Sourour , Tabbane Sami 
Published: October 2014

SUMMARYIn cognitive radio networks, Secondary Users (SUs) can access the spectrum simultaneously with the Primary Users (PUs) in underlay mode. In this case, interference caused to the licensed users has to be effectively controlled. The SUs have to make spectrum access decisions in order to enhance their quality of service, but without causing harmful interference to the coexisting PUs. In this paper, we propose a cooperative spectrum decision, which enables the SUs to share the spectrum with the PUs more efficiently. Our approach is based on a new coalitional game in which the coalition value is a function of the SUs' spectral efficiencies, the inter‐SUs interference, and the interference caused to the PUs. By applying new Enter and Leave rules, we obtain a stable coalition structure. Simulation results show that the SUs' spectral efficiencies are considerably increased and that the interference caused to the coexisting PU is reduced by about 7.5% as compared to an opportunistic spectrum access scheme. Moreover, the proposed coalitional game results in a more balanced spectrum sharing in the network. Copyright © 2014 John Wiley & Sons, Ltd.
Cryptanalysis and security enhancement of a robust two‐factor authentication and key agreement protocol
Authors: Xie Qi , Dong Na , Wong Duncan S. , Hu Bin 
Published: October 2014

SummaryTwo‐factor user authentication scheme allows a user to use a smart card and a password to achieve mutual authentication and establish a session key between a server and a user. In 2012, Chen et al. showed that the scheme of Sood et al. does not achieve mutual authentication and is vulnerable to off‐line password guessing and smart card stolen attacks. They also found that another scheme proposed by Song is vulnerable to similar off‐line password guessing and smart card stolen attacks. They further proposed an improved scheme. In this paper, we first show that the improved scheme of Chen et al. still suffers from off‐line password guessing and smart card stolen attacks, does not support perfect forward secrecy, and lacks the fairness of session key establishment. We then propose a new security‐enhanced scheme and show its security and authentication using the formal verification tool ProVerif, which is based on applied pi calculus. Copyright © 2014 John Wiley & Sons, Ltd.
Alate susceptibility in ants
Authors: Ho Eddie K. H. , Frederickson Megan E. 
Published: October 2014

AbstractPathogens are predicted to pose a particular threat to eusocial insects because infections can spread rapidly in colonies with high densities of closely related individuals. In ants, there are two major castes: workers and reproductives. Sterile workers receive no direct benefit from investing in immunity, but can gain indirect fitness benefits if their immunity aids the survival of their fertile siblings. Virgin reproductives (alates), on the other hand, may be able to increase their investment in reproduction, rather than in immunity, because of the protection they receive from workers. Thus, we expect colonies to have highly immune workers, but relatively more susceptible alates. We examined the survival of workers, gynes, and males of nine ant species collected in Peru and Canada when exposed to the entomopathogenic fungus Beauveria bassiana. For the seven species in which treatment with B. bassiana increased ant mortality relative to controls, we found workers were significantly less susceptible compared with both alate sexes. Female and male alates did not differ significantly in their immunocompetence. Our results suggest that, as with other nonreproductive tasks in ant colonies like foraging and nest maintenance, workers have primary responsibility for colony immunity, allowing alates to specialize on reproduction. We highlight the importance of colony‐level selection on individual immunity in ants and other eusocial organisms.
Tocopherol losses during pan‐frying
Authors: Fišnar Jakub , Doležal Marek , Réblová Zuzana 
Published: October 2014

Tocopherol losses were studied during pan‐frying of bread and during heating of vegetable oils. During the heating experiments, 16 g of sunflower and olive oil was heated on a pan (internal diameter 17 cm) at maximum oil temperature 180 °C for 4, 8, and 12 min, as well as at 200 and 220 °C for 4 min. The total tocopherol losses grew according to increasing heating time and temperature from 10 to almost 100% of the initial content. The absolute losses (in mg/kg) were higher in sunflower oil with a higher content of polyunsaturated fatty acids, while the relative losses (in % of the initial content) were higher in olive oil with a lower initial content of tocopherols. During the pan‐frying, 16 g of oil (sunflower, olive, soybean, or rapeseed) was pre‐heated on the pan for 4 min (at oil temperature 180 °C) and then two slices of bread (80 g) were fried in this oil for 8 min, while the oil soaked into the fried bread. Under these conditions, tocopherol losses did not depend prominently on the used oil and did not exceed 30% of the initial content.Practical applications: Tocopherol losses during culinary processing of foods have not been studied in a sufficient range yet. Therefore, the content of vitamin E in heat‐treated dishes estimated from data in food composition tables and similar tools is not correct in all cases. The presented results could enlarge our knowledge in tocopherol losses during pan‐frying under different conditions as well as in content of vitamin E in fried foods. As a consequence, these results could be utilized to minimize tocopherol losses during culinary food processing and so to increase in some cases insufficient intake of vitamin E.Tocopherol losses were studied during pan‐frying of bread under optimized and controlled conditions. Under these conditions, tocopherol losses did not depend prominently on the used oil and did not exceed 30% of the initial content.
Seismic response of sliding equipment and contents in base‐isolated buildings subjected to broadband ground motions
Authors: Konstantinidis Dimitrios , Nikfar Farzad 
Published: October 2014

SummaryBase isolation has been established as the seismic design approach of choice when it comes to protecting nonstructural contents. However, while this protection technology has been widely shown to reduce seismic demands on attached oscillatory equipment and contents (EC), its effectiveness in controlling the response of freestanding EC that are prone to sliding has not been investigated. This study examines the seismic behavior of sliding EC inside base‐isolated buildings subjected to broadband ground motions. The effect of isolation system properties on the response of sliding EC with various friction coefficients is examined. Two widely used isolation models are considered: viscously damped linear elastic and bilinear. The study finds isolation to be generally effective in reducing seismic demands on sliding EC, but it also exposes certain situations where isolation in fact increases demands on EC, most notably for low friction coefficients and high earthquake intensities. Damping at the isolation level is effective in controlling the EC sliding displacements, although damping over about 20% is found to be superfluous. The study identifies a physically motivated dimensionless intensity measure and engineering demand parameter for sliding equipment in base‐isolated buildings subjected to broadband ground motions. Finally, the paper presents easy‐to‐use design fragility curves and an example that illustrates how to use them. Copyright © 2014 John Wiley & Sons, Ltd.
Numerical simulations of a highway bridge structure employing passive negative stiffness device for seismic protection
Authors: Attary Navid , Symans Michael , Nagarajaiah Satish , Reinhorn Andrei M. , Constantinou Michael C. , Sarlis Apostolos A. , Pasala Dharma T. R. , Taylor Douglas 
Published: October 2014

SummaryA new passive seismic response control device has been developed, fabricated, and tested by the authors and shown to be capable of producing negative stiffness via a purely mechanical mechanism, thus representing a new generation of seismic protection devices. Although the concept of negative stiffness may appear to be a reversal on the desired relationship between the force and displacement in structures (the desired relationship being that the product of restoring force and displacement is nonnegative), when implemented in parallel with a structure having positive stiffness, the combined system appears to have substantially reduced stiffness while remaining stable. Thus, there is an ‘apparent weakening and softening’ of the structure that results in reduced forces and increased displacements (where the weakening and softening is of a non‐damaging nature in that it occurs in a seismic protection device rather than within the structural framing system). Any excessive displacement response can then be limited by incorporating a damping device in parallel with the negative stiffness device. The combination of negative stiffness and passive damping provides a large degree of control over the expected performance of the structure. In this paper, a numerical study is presented on the performance of a seismically isolated highway bridge model that is subjected to various strong earthquake ground motions. The Negative Stiffness Devices (NSDs) are described along with their hysteretic behavior as obtained from a series of cyclic tests wherein the tests were conducted using a modified design of the NSDs (modified for testing within the bridge model). Using the results from the cyclic tests, numerical simulations of the seismic response of the isolated bridge model were conducted for various configurations (with/without negative stiffness devices and/or viscous dampers). The results demonstrate that the addition of negative stiffness devices reduces the base shear substantially, while the deck displacement is limited to acceptable values. This assessment was conducted as part of a NEES (Network for Earthquake Engineering Simulation) project which included shaking table tests of a quarter‐scale highway bridge model. Copyright © 2014 John Wiley & Sons, Ltd.