bluuebunny/crossref_metadata_2025 huggingface dataset:
Structure–Activity Relationship in the Iridium‐Catalyzed Isomerization of Primary Allylic Alcohols
Authors: Mantilli Luca , Gérard David , Besnard Céline , Mazet Clément
Published: June 2012

The evaluation of a series of cationic iridium complexes in the isomerization of primary allylic alcohols has revealed the unique ability of Crabtree catalysts [(Cy3P)(C6H5N)Ir(cod)]·X 1a (X = PF6) and 1b (X = BArF; cod = 1,5‐cyclooctadiene) to catalyze efficiently this transformation. Emphasis has been placed on understanding the electronic factors that govern the catalytic process by using a range of para‐substituted pyridine N‐donor ligands. Excellent correlations between analytical data (13C NMR chemical shift; νCO) and established thermodynamic and kinetic parameters (pKa, Mayr nucleophilicity parameter N) have been elaborated. Overall, the results obtained point to the possibility of qualitatively predicting the activity of Crabtree catalyst analogues in the isomerization of primary allylic alcohols.
Preparation of Hollow TiO2 Spheres of the Desired Polymorphs by Layer‐by‐Layer Assembly of a Water‐Soluble Titanium Complex and Hydrothermal Treatment
Authors: Katagiri Kiyofumi , Inami Hitoshi , Koumoto Kunihito , Inumaru Kei , Tomita Koji , Kobayashi Makoto , Kakihana Masato
Published: June 2012

A facile approach, based on the polyelectrolyte‐mediated electrostatic adsorption of a water‐soluble titanium complex on colloid templates and hydrothermal treatment, is presented for the formation of hollow TiO2 spheres of the desired polymorphs. The core–shell particles were formed by the alternate deposition of titanium–glycolate complex 1 and positively charged polyelectrolyte, poly(allylamine hydrochloride) (PAH) on spherical polystyrene (PS) templates by utilizing electrostatic interactions for shell formation. Hollow spheres formed with the polyionic complex of 1 and PAH were obtained by removal of the PS templates. Formation of the polyionic complex affected the crystallization of TiO2 from 1 by hydrothermal treatment. Hollow spheres of brookite and anatase were obtained by hydrothermal treatment at pH 4 and 10, respectively. The approach presented here can be exploited for the fabrication of novel advanced titania‐based materials with desired structures and polymorphs.
Extraction of α‐tocopherolquinone from vegetable oil deodorizer distillate waste
Authors: Isso Bayala , Ryan David
Published: June 2012

In industry, deodorizer distillate waste is one of the last products of refined edible oil after the removal of commercially important value components such as fatty acids, sterols, squalene, and vitamin E. The refinery process itself is the cause of a significant amount of loss in vitamin E due to distillation and thermal oxidation. The distillate waste has a very limited commercial value, therefore requires additional costs for a safe environmental disposal. One of the main vitamin E oxidation products found in large quantities in oil waste is tocopherolquinone (TQ). A literature search has revealed that in the past several techniques including a variety of solvent extractions, saponification, or column extraction have been used for TQ isolation with limited success. The present study is a new cost‐effective liquid–liquid extraction method developed to isolate α‐TQ from vegetable oil steam distillate or distillate waste. High recovery results ranging from 31 to 120% were obtained depending on the ratio between the sample and three different organic extraction solvents (acetonitrile, methanol, and hexane) combined.
Application of LB‐Phos·HBF4 in the Suzuki Coupling Reaction of 2‐Bromoalken‐3‐ols with Alkylboronic Acids
Authors: Guo Binjie , Fu Chunling , Ma Shengming
Published: June 2012

LB‐Phos·HBF4 was used in the Suzuki coupling reaction of 2‐bromoalken‐3‐ols with alkylboronic acids to give the coupling products in moderate to good yields. Substituents such as benzyl, phenyl, allyl, and alkyl are tolerated at the 1‐ and 3‐positions of the 2‐bromoalken‐3‐ols. The reactions of both primary and secondary alkylboronic acids proceed smoothly.
Development of a compressive surface capturing formulation for modelling free‐surface flow by using the volume‐of‐fluid approach
Authors: Heyns J. A. , Malan A. G. , Harms T. M. , Oxtoby O. F.
Published: June 2012

With the aim of accurately modelling free‐surface flow of two immiscible fluids, this study presents the development of a new volume‐of‐fluid free‐surface capturing formulation. By building on existing volume‐of‐fluid approaches, the new formulation combines a blended higher resolution scheme with the addition of an artificial compressive term to the volume‐of‐fluid equation. This reduces the numerical smearing of the interface associated with explicit higher resolution schemes while limiting the contribution of the artificial compressive term to ensure the integrity of the interface shape is maintained. Furthermore, the computational efficiency of the the higher resolution scheme is improved through the reformulation of the normalised variable approach and the implementation of a new higher resolution blending function. The volume‐of‐fluid equation is discretised via an unstructured vertex‐centred finite volume method and solved via a Jacobian‐type dual time‐stepping approach. Copyright © 2012 John Wiley & Sons, Ltd.
A Survey of Hand Anthropometry and Biomechanical Measurements of Dentistry Students in Turkey
Authors: Cakit Erman , Durgun Behice , Cetik Oya , Yoldas Oguz
Published: June 2012

The objectives of this study were 1) to determine various hand dimensions and biomechanics measurements for Turkish dentistry students, 2) to evaluate the differences between males and females and between the right and left hand, and 3) to compare these data with similar data for other populations (Thai, Indian, Malaysian, British, Jordanian, Nigerian, Mexican, Bangladesh, and Vietnamese). The present study was undertaken to generate hand anthropometric and biomechanics data of 92 male and 73 female students studying at dentistry faculty. Sixty‐seven anthropometric and 26 biomechanics measurements were taken in both hands. The means, standard deviations, and percentile values were tabulated and compared with other populations. The results suggest that the Turkish female fingers are thinner than those of other females except Indians, and that the Turkish male fingers are wider than those of the other males. Furthermore, the results also suggest that the Turkish female strength in handgripping is greater than that of other females except British females, and the Turkish male handgrip strength is greater than that of other males except Americans. This study provides insights about Turkish hand dimensions and biomechanics; it can be a basis for future studies and the design of dental tools meant for the Turkish market. © 2012 Wiley Periodicals, Inc.
The dog as a possible animal model for human non‐Hodgkin lymphoma: a review
Authors: Marconato Laura , Gelain Maria Elena , Comazzi Stefano
Published: June 2012

Lymphoma represents the most frequent hematopoietic cancer in dogs, and it shows significant overlap with the human disease. Several environmental factors have been associated with canine lymphoma, suggesting that they may contribute to lymphomagenesis. Canine lymphoma often presents in advanced stage (III–V) at diagnosis and, most commonly, has an aggressive clinical course requiring prompt treatment, which relies on the use of polychemotherapy. In this review, we will summarize the state‐of‐the‐art of canine lymphoma epidemiology, pathobiology, diagnostic work‐up and therapy, and will highlight the links to the corresponding human disease, providing evidence for the use of dog as an animal model of spontaneous disease. Copyright © 2012 John Wiley & Sons, Ltd.
Additional genetic abnormalities significantly worsen poor prognosis associated with 1q21 amplification in multiple myeloma patients
Authors: Grzasko Norbert , Hus Marek , Pluta Andrzej , Jurczyszyn Artur , Walter‐Croneck Adam , Morawska Marta , Chocholska Sylwia , Hajek Roman , Dmoszynska Anna
Published: June 2012

We investigated the prognostic value of amp(1q21) alone and in combination with other abnormalities in newly diagnosed myeloma patients. The study group consisted of 104 patients treated with various induction regimens, mostly thalidomide based (87 patients). Amp(1q21) was detected in 49 (47.1%) of patients; in 26 (25.0%) cases, it was combined with del(13q14), in 7 (6.7%) with del(17p13) and in 15 (14.4%) with t(4;14)(p16;q32). The response rate was significantly better in amp(1q21)‐negative than in amp(1q21)‐positive patients (74.5% vs 55.1%, p = 0.025; complete response 18.2% vs 4.1%, p = 0.024). The median progression‐free survival (PFS) was 33.9 months in patients without amp(1q21) and 10.3 months with this aberration (p = 0.002). The presence of additional abnormalities resulted in significantly shortened PFS when compared with patients with isolated amp(1q21): coexisting del(13q14) resulted in 7.8 vs 29.0 months of PFS (p = 0.024) and del(17p13) resulted in 4.0 vs 24.9 months of PFS (p = 0.034). The presence of amp(1q21) significantly influenced overall survival (OS) as well as PFS resulting in the median OS of 26.6 vs 62.4 months (p = 0.018) in patients without amp(1q21). The presence of additional genetic abnormalities significantly affected OS when compared with patients carrying isolated amp(1q21): for del(13q14) 18.9 vs 58.4 months (p = 0.004) and for del(17p13) 12.0 vs 46.5 months (p = 0.036). On multivariate analysis amp(1q21), del(13q14) and del(17p13) were found to be an independent adverse predictors of shorter PFS and OS. Our results showed that the presence of amp(1q21) was associated with poor prognosis. Moreover additional genetic abnormalities made PFS and OS further shortened. Copyright © 2012 John Wiley & Sons, Ltd.
Work Personality, Work Engagement, and Academic Effort in a Group of College Students
Authors: Strauser David R. , O'Sullivan Deirdre , Wong Alex W. K.
Published: June 2012

The authors investigated the relationship between the variables of work engagement, developmental work personality, and academic effort in a sample of college students. This study provides evidence for the hypothesized positive relationship between academic effort, engagement, and work personality. When gender was controlled, the Work Tasks subscale of the Developmental Work Personality Scale (Strauser & Keim, 2002) made the largest contribution to predicting academic effort. Engagement also made a significant contribution to the model. For men, work personality seems to be more relevant concerning academic effort, whereas for women, engagement may be more important. A discussion of the constructs of work engagement and developmental work personality is included.
Comparative studies on parametric sensitivity analyses using conventional and factorial design methodologies: mathematical modelling of clavulanic acid adsorption on zeolites
Authors: Forte Marcus Bruno Soares , Mazutti Marcio Antonio , Filho Francisco Maugeri , Rodrigues Maria Isabel
Published: June 2012

BACKGROUND: The main objective of this work was to evaluate the parametric sensitivity of model parameters of clavulanic acid (CA) adsorption in a stirred‐tank reactor using zeolites. The system sensitivity was evaluated in terms of mass transfer and hydrodynamic parameters using two methodologies. First, the sensitivity factors of input variables were evaluated according to a disturbance of ± 20% in the nominal parameter values; second, the factorial design methodology was employed. In both cases, the responses were obtained by means of model simulations.

RESULTS: From the sensitivity analysis by experimental design, the best operational conditions for adsorption of CA on zeolites were solid to liquid percentage 7.0%, initial CA concentration 300 mg L−1 and particle diameter 0.100 mm, which led to a reduction of 25 min in the adsorption time and 9% in the adsorption capacity, increasing the process productivity.

CONCLUSION: The use of the factorial design had advantages compared with the conventional method because it provided information regarding the possibility of simultaneous changes in the factors investigated, enabling analyses of system sensitivity regarding operational parameters, as well as the choice of more suitable parameters. Copyright © 2012 Society of Chemical Industry
Lacustrine records of post‐glacial environmental change from the Nulhegan Basin, Vermont, USA
Authors: Munroe Jeffrey S.
Published: June 2012

The sedimentary records of Nulhegan Pond and Beecher Pond in the Nulhegan Basin of north‐eastern Vermont were analyzed to yield a history of environmental change since the latest Pleistocene. Shoreline landforms indicate that part of the Nulhegan Basin was inundated by Glacial Lake Nulhegan (GLN), which was impounded behind a dam of glacial sediment. Outwash derived from stagnant ice forms the bottom 176 cm of the Nulhegan Pond core. Fine‐grained inorganic sediment deposited between 13.4 and 12.2k cal a BP is interpreted as a deep‐water facies representing GLN, while coarser sediment from 12.2 to 11.8k cal a BP records draining of the glacial lake. Rapid, simultaneous increases in organic matter and biogenic silica signal the onset of productivity following the Younger Dryas. Beecher Pond formed c. 11.3k cal a BP through surface collapse over a buried ice block; buried stagnant ice may have persisted in the vicinity of the pond into the early Holocene. From 8.9 to 5.5k cal a BP, sediment in both lakes became coarser and richer in aquatic organic matter, suggesting a low‐water phase in which previously deposited lacustrine sediments were reworked and the littoral zone shifted basinward. Low water levels at this time are consistent with other records from Maine and southern Quebec, but contrary to records from ∼325 km to the south. Copyright © 2012 John Wiley & Sons, Ltd.
Free flap reconstruction in 1999 and 2009: Changing case characteristics and outcomes
Authors: Kakarala Kiran , Emerick Kevin S. , Lin Derrick T. , Rocco James W. , Deschler Daniel G.
Published: June 2012

Objectives/Hypothesis:

To compare free flap reconstructive cases from 1999 and 2009 with respect to patient characteristics, surgical characteristics, outcomes, and complications; and to discuss the evolution in free flap reconstruction at a single institution during this time period.

Study Design:

Retrospective cohort comparison.

Methods:

Free flap reconstruction cases from 1999 and 2009 were collected into two cohorts. Retrospective chart review was performed to extract patient characteristics, surgical characteristics, and outcomes. Cohorts were compared with respect to extracted data with statistical significance set at P < .05.

Results:

There were 39 free flap reconstructions performed in 1999 and 81 performed in 2009. Patients in the 2009 cohort had higher American Society of Anesthesiologists scores and incidence of cardiovascular disease (P = .009 and .0045, respectively). Median operative time decreased from 12 hours in 1999 to 9 hours in 2009 (P < .0001). Median length of stay decreased from 14 to 9 days (P = .0006). The rate of perioperative return to the operating room to manage complications decreased from 30% to 17% (P = .103). There were five unsalvaged flap failures in 1999 (12.8%) compared to two failures in 2009 (2.5%) (P = .036).

Conclusions:

Patients undergoing free flap reconstruction are increasingly older and have more medical comorbidities. Despite these challenges, increased efficiency and teamwork stemming from accumulated institutional experience have led to decreased operative times, length of stay, and complication rates and increased overall success rates.
A Record‐Breaking Year for Lasers
Authors: Hausken Tom
Published: June 2012

There is good news and bad news in the laser market this year. The good news is that 2011 was a record‐breaking year, reaching $ 7.7 billion. The bad news is that the market softened in late 2011, and 2012 will likely end up flat with last year. But that will be temporary.
Scanner Welding with Position Correction
Authors: Rombach Heribert
Published: June 2012

Whenever complex parts are welded in series, laser‐welding technologies play a significant role. Although already well established in many industrial applications, additional improvements were made and new features integrated. For example, imaging technology has become an option for scanner welding equipment. It allows a visual control loop that guarantees precise welding and at the same time reduces significantly the costs of setup and equipment.
The existence of a nontrivial solution to p‐Laplacian equations in with supercritical growth
Authors: Li Gongbao , Wang Chunhua
Published: June 2012

In this paper, we consider the p‐Laplacian equations in with supercritical growth
urn:x-wiley:01704214:media:mma2570:mma2570-math-0002
where △ pu = div( | ∇ u | p − 2 ∇ u),1 < p < N is the p‐Laplacian operator. Under certain assumptions on V (x) and f(u) that will be given in Section 1, we prove that the problem has at least a nontrivial solution by using variational methods combined with perturbation arguments. The solutions to subcritical p‐Laplacian equations are estimated applying the L ∞  norm. Copyright © 2012 John Wiley & Sons, Ltd.
Stress intensity factors computation for bending plates with extended finite element method
Authors: Lasry Jérémie , Renard Yves , Salaün Michel
Published: June 2012

The modelization of bending plates with through‐the‐thickness cracks is investigated. We consider the Kirchhoff–Love plate model, which is valid for very thin plates. Reduced Hsieh–Clough–Tocher triangles and reduced Fraejis de Veubeke–Sanders quadrilaterals are used for the numerical discretization. We apply the eXtended Finite Element Method strategy: enrichment of the finite element space with the asymptotic bending singularities and with the discontinuity across the crack. The main point, addressed in this paper, is the numerical computation of stress intensity factors. For this, two strategies, direct estimate and J‐integral, are described and tested. Some practical rules, dealing with the choice of some numerical parameters, are underlined. Copyright © 2012 John Wiley & Sons, Ltd.
A coupled hp‐finite element scheme for the solution of two‐dimensional electrostrictive materials
Authors: Gil A.J. , Ledger P.D.
Published: June 2012

As part of the ongoing research within the field of computational analysis for the coupled electro‐magneto‐mechanical response of smart materials, the problem of linearised electrostriction is revisited and analysed for the first time using the framework of hp‐finite elements. The governing equations modelling the physics of the dielectric are suitably modified by introducing a new total Cauchy stress tensor (A. Dorfmann and R.W. Ogden. Nonlinear electroelasticity. Acta Mechanica, 174:167–183, 2005), which includes the electrostrictive effect and a staggered partitioned scheme for the numerical solution of the coupling phenomena. With the purpose of benchmarking numerical results, the problem of an infinite electrostrictive plate with a circular/elliptical dielectric insert is revisited. The presented analytical solution is based on the theoretical framework for two‐dimensional electrostriction proposed by Knops (R.J. Knops. Two‐dimensional electrostriction. Quarterly Journal of Mechanics and Applied Mathematics, 16:377–388, 1963) and uses classical techniques of complex variable analysis. Our presentation, to the best of our knowledge, provides the first correct closed form expression for the solution to the infinite electrostrictive plate with a circular/elliptical dielectric insert, correcting the errors made in previous presentations of this problem. We use this analytical solution to assess the accuracy, efficiency and robustness of the hp‐formulation in the case of nearly incompressible electrostrictive materials. Copyright © 2012 John Wiley & Sons, Ltd.
Mathematical homogenization theory for electroactive continuum
Authors: Kuznetsov Sergey , Fish Jacob
Published: June 2012

Two‐scale continuum equations are derived for heterogeneous continua with full nonlinear electromechanical coupling using nonlinear mathematical homogenization theory. The resulting coarse‐scale electromechanical continuum equations are free of coarse‐scale constitutive equations. The unit cell (or representative volume element) is subjected to the overall mechanical and electric field extracted from the solution of the coarse‐scale problem and is solved for arbitrary constitutive equations of fine‐scale constituents. The proposed method can be applied to analyze the behavior of electroactive materials with heterogeneous fine‐scale structure and can pave the way forward for designing advanced electroactive materials and devices. Copyright © 2012 John Wiley & Sons, Ltd.
Simple multidimensional integration of discontinuous functions with application to level set methods
Authors: Müller B. , Kummer F. , Oberlack M. , Wang Y.
Published: June 2012

We present a simple, tree‐based approach for the numerical integration over volumes and surfaces defined by the zero iso‐contour of a level set function. The work is motivated by a variant of the discontinuous Galerkin method that is characterized by discontinuous enrichments of the polynomial basis. Although numerical results suggest that the presently achieved accuracy is comparable with methods based on discretized delta functions and on the geometric reconstruction of the interface, the presented approach is conceptually simpler and applicable to almost arbitrary grid types, which we demonstrate by means of numerical experiments on triangular, quadrilateral, tetrahedral and hexahedral meshes. Copyright © 2012 John Wiley & Sons, Ltd.
Spline‐based meshfree method
Authors: Kim Hyun‐Jung , Youn Sung‐Kie
Published: June 2012

In the present work, the spline‐based meshfree method (SBMFM) is presented. The SBMFM uses spline basis functions for field variables and boundary representation. Because of the inherent properties of splines, that is, NURBS (nonuniform rational B‐splines), the analysis domain used in the SBMFM has its own parametric domain. Unlike the classical concepts in the Computer‐aided design (CAD) community in which the NURBS patches are used to model the body, the NURBS patch is treated as a background mesh in the present work. The real analysis domain is created by trimming operation so that the domain boundaries are described by spline curves only on a single NURBS patch. Building the geometry in this way enables a convenient boundary representation of the domains because direct manipulation of spline curves becomes possible. From a deformation point of view, the mesh distortion problem is effectively avoided even if the analysis domain undergoes a large deformation. In the SBMFM, boundary spline curves freely move with complete independence from the quadrilateral background NURBS patch. The so‐called element connectivity is unnecessary for geometry description. In this paper, geometrically nonlinear problems are considered. Implementation strategy is presented and the effectiveness of the present SBMFM is shown through various numerical examples. Copyright © 2012 John Wiley & Sons, Ltd.
High use of tramadol in Germany: an analysis of statutory health insurance data
Authors: Tholen Kathrin , Hoffmann Falk
Published: June 2012

Purpose

Tramadol is a weak opioid according to the World Health Organization pain ladder step II. It is one of the most prescribed analgesic substances in Germany, but tramadol and the step II opioids are very controversially discussed.

We analysed patients with filled tramadol prescriptions with special emphasis on high use.

Methods

We used data from a German statutory health insurance for the year 2007. Patients older than 17 years with at least one tramadol prescription were analysed concerning demographic data, pain diagnoses, comorbidities, concomitant opioids, physician contacts and number of different prescribed substances. We fitted a logistic regression model to find relevant associations with high use (defined as >180 daily defined doses per year).

Results

From 22 946 insurants with filled tramadol prescriptions, 7.9% (n = 1812) are identified as high users; 90.9% of all tramadol patients and 93.1% of the high users have at least one pain diagnosis. The most frequent diagnoses are back pain (78.4% vs 77.1%) and arthritis pain (37.9% vs 41.8%). The results of the logistic regression model show associations between high use of tramadol and rising age, unspecific pain diagnoses, psychiatric co‐morbidities, additional prescribed strong opioids and a high number of physician contacts.

Conclusions

Despite some limitations, this study shows the prescriptions of tramadol in Germany in an authentic way. It seems that there are some ‘challenging’ patients that present a treatment dilemma for some prescribers. This might result in a high use of tramadol. Copyright © 2012 John Wiley & Sons, Ltd.
Numerical Simulation of the Formation of Granular Shock Wave Over Cylindrical Obstacle
Authors: Huang Yrjö Jun , Jalali Payman , Hyppänen Timo
Published: June 2012

A two dimensional (2‐D) stream of granular flow with zero initial granular temperature passing over a cylindrical obstacle is simulated by means of both molecular dynamics (MD) simulation and finite volume method (FVM). In experiments, a bow‐shaped shock wave with higher area fraction forms in front of the obstacle that was reproduced in our simulations. Due to the different circumstances to which particles are subjected, the granular flow is divided in two zones. One is undisturbed where quantities, such as space fraction (volume fraction for 3‐D and area fraction for 2‐D geometries), velocity and granular temperature are uniformly distributed and the other is called the shock wave zone. In this region, the values of the space fraction increases and the velocity of particles changes. From the MD simulation, it is found that the area fraction of the shock wave depends on surface roughness, coefficient of restitution (COR) of particles, the obstacle diameter as well as velocity of the granular stream, and a triangular region forms with almost zero velocity, and granular temperature forms in front of the cylindrical obstacle. The bigger is the size of the obstacle, the more stable this region is. In FVM simulations solid phase velocity and area fraction distributions similar to the MD simulation results are obtained for proper parameters.
Simulation of Dynamic Light Scattering Signals of Ultrafine Particles
Authors: Wang Ya jing , Shen Jin , Zheng Gang , Liu Wei , Zhu Xin jun
Published: June 2012

In order to conveniently obtain dynamic light scattering (DLS) signal, a simulation method of DLS signal is proposed in this paper. This method regards the light intensity fluctuation of DLS as a stationary random process. According to autocorrelation function (ACF) of DLS signal, the stationary random process of DLS can be generated by auto‐regressive (AR) model. Signal simulations of several kinds of distribution particles and comparison of simulations and experiment prove that AR model can be used for DLS signal simulation. Moreover, by analyzing effect of simulation parameters on simulation precision, we obtained the relationship between simulation parameters and simulation precision. Finally, application of simulation signal verifies the effectiveness and convenience of this simulation method.
A Multi‐Thresholding Algorithm for Sizing out of Focus Particles
Authors: Ju Dehao , Shrimpton John S. , Hearn Alex
Published: June 2012

A methodology is presented that enables efficient acquisition of sufficient droplet information (e.g. diameter and aspect ratio) from images of in and out of focus droplets. The newly developed multi‐threshold algorithm is successfully implemented in the automatic particle/droplet image analysis (PDIA) system. Under the same optical hardware set‐up, and compared to the dual threshold methods [1], the multi‐threshold method increases the measurable/acceptable depth of field (DoF) of particles, especially for the small particles of diameters less than 50 μm (1098 pixels in this optical set‐up). When testing the 70 μm~110 μm and 100 μm~200 μm moving glass spheres, the dual threshold method can only detect 11%~29 % of the particles found by the multi‐threshold method. The multi‐threshold method is also capable of generating the aspect ratios of particles more accurately than dual threshold methods.
Physiotherapy Rehabilitation for Individuals with Lower Limb Amputation: A 15‐Year Clinical Series
Authors: Hordacre Brenton , Birks Vicki , Quinn Stephen , Barr Christopher , Patritti Benjamin L. , Crotty Maria
Published: June 2012

Background and Purpose

Individuals with amputations are a core group in Australian rehabilitation units that have a long index length of stay. The Repatriation General Hospital (RGH) offers general rehabilitation services to the population of Southern Adelaide (a population of 350,000) and includes an on‐site prosthetic manufacturing facility. Using a physiotherapy database at the RGH, we sought to answer the following questions: What are the demographic and clinical characteristics of patients admitted for lower limb prosthetic rehabilitation over 15 years? What are the times to rehabilitation outcomes? How have these changed over 15 years with changes in service delivery?

Methods

This paper is a retrospective observational study using a physiotherapy clinical database (1996–2010) of 531 consecutive individuals with lower limb amputation at one South Australian hospital (RGH). There were two changes in service delivery: 1) a multidisciplinary interim prosthetic programme (IPP) introduced in 1998 and 2) removable rigid dressings (RRDs) introduced in 2000. Outcome measures were patient demographics, clinical characteristics and time to rehabilitation outcome markers.

Results

Mean age was 68 years (standard deviation [SD]: 15), with 69% male, 80% dysvascular and 68% transtibial. The overall median inpatient rehabilitation length of stay (RLOS) was 39 days (interquartile range [IQR]: 26–57). Individuals with amputation entering rehabilitation each year had a higher number of co‐morbidities (β: 0.08; 95% confidence interval: 0.05–0.11). Introduction of the IPP was associated with a significant reduction in time to initial prosthetic casting, independent walking and inpatient RLOS. Introduction of RRDs was associated with a significant reduction in time to wound healing, initial prosthetic casting and independent walking.

Conclusions

Individuals with amputation were typically elderly dysvascular men with transtibial amputations. Introduction of the IPP and RRDs successfully reduced time to rehabilitation outcomes including independent walking, an outcome that is rarely reported but is of significance to patients and physiotherapists. Copyright © 2012 John Wiley & Sons, Ltd.
Steady‐state non‐equilibrium transport in non‐Hermitian open quantum nanostructures
Authors: Bolech C.J. , Kakashvili P.
Published: June 2012

We present two classic case studies of non‐equilibrium transport from the mesoscopics literature, – a single‐channel tunneling junction and a tunneling junction with an embedded resonant level –, that we generalized to the non‐Hermitian case. We use these problems to illustrate the characteristics of the non‐linear transport due to the asymmetric dynamics inherent of the non‐Hermitian problem. We employ a generalized time‐loop Green's function formalism that was developed explicitly to define and deal with these problems, and that constitutes a powerful and general tool for this type of studies. We point out important differences with the standard Hermitian case.
Equivalence of the effective Hamiltonian approach and the Siegert boundary condition for resonant states
Authors: Hatano N.
Published: June 2012

Two theoretical methods of finding resonant states in open quantum systems, namely the approach of the Siegert boundary condition and the Feshbach formalism, are reviewed and shown to be algebraically equivalent to each other for a simple model of the T‐type quantum dot. It is stressed that the seemingly Hermitian Hamiltonian of an open quantum system is implicitly non‐Hermitian outside the Hilbert space. The two theoretical approaches extract an explicitly non‐Hermitian effective Hamiltonian in a contracted space out of the seemingly Hermitian (but implicitly non‐Hermitian) full Hamiltonian in the infinite‐dimensional state space of an open quantum system.
Non‐Hermitian approach for modeling of noise‐assisted quantum electron transfer in photosynthetic complexes
Authors: Nesterov A.I. , Berman G.P. , Bishop A.R.
Published: June 2012

We model the quantum electron transfer (ET) in the photosynthetic reaction center (RC), using a non‐Hermitian Hamiltonian approach. Our model includes (i) two protein cofactors, donor and acceptor, with discrete energy levels and (ii) a third protein pigment (sink) which has a continuous energy spectrum. Interactions are introduced between the donor and acceptor, and between the acceptor and the sink, with noise acting between the donor and acceptor. The noise is considered classically (as an external random force), and it is described by an ensemble of two‐level systems (random fluctuators). Each fluctuator has two independent parameters, an amplitude and a switching rate. We represent the noise by a set of fluctuators with fitting parameters (boundaries of switching rates), which allows us to build a desired spectral density of noise in a wide range of frequencies. We analyze the quantum dynamics and the efficiency of the ET as a function of (i) the energy gap between the donor and acceptor, (ii) the strength of the interaction with the continuum, and (iii) noise parameters. As an example, numerical results are presented for the ET through the active pathway in a quinone‐type photosystem II RC.
Non‐Markovian electron dynamics in nanostructures coupled to dissipative contacts
Authors: Novakovic B. , Knezevic I.
Published: June 2012

In quasiballistic semiconductor nanostructures, carrier exchange between the active region and dissipative contacts is the mechanism that governs relaxation. In this paper, we present a theoretical treatment of transient quantum transport in quasiballistic semiconductor nanostructures, which is based on the open system theory and valid on timescales much longer than the characteristic relaxation time in the contacts. The approach relies on a model interaction between the current‐limiting active region and the contacts, given in the scattering‐state basis. We derive a non‐Markovian master equation for the irreversible evolution of the active region's many‐body statistical operator by coarse‐graining the exact dynamical map over the contact relaxation time. In order to obtain the response quantities of a nanostructure under bias, such as the potential and the charge and current densities, the non‐Markovian master equation must be solved numerically together with the Schrödinger, Poisson, and continuity equations. We discuss how to numerically solve this coupled system of equations and illustrate the approach on the example of a silicon nin diode.
Current knowledge and systematic review of viruses associated with Crohn's disease
Authors: Wagner Josef , Sim Winnie H. , Lee Katherine J. , Kirkwood Carl D.
Published: June 2012

The aetiology of Crohn's disease (CD) is currently unknown. A viral trigger was proposed more than 40 years ago and has been the focus of many investigations. We summarised the current literature surrounding the association between viruses and CD and conducted a systematic review of all studies investigating this association quantitatively. Studies were identified by searching for 13 specific virus names or the general term ‘virus’ and ‘Crohn's disease’ in search engines PubMed and OVID. A total of 1315 studies were identified, of which 78 studies had a laboratory result. Of the 78, 46 case–control studies met all the inclusion criteria for forest plot analysis.

The most common viruses studied were EBV, CMV and measles virus (MV). Forest plot analysis for each virus was carried out (fitted using random effects) and identified evidence of an association between CD and CMV (risk ratio [RR] 1.602, 95% confidence interval [CI] 1.069 to 2.400) with some suggestion that EBV may also be associated with CD (RR 1.366, 95% CI 0.996 to 1.873). However, there was evidence of large heterogeneity in the results from the identified studies for EBV. There was little evidence of an association with CD for MV, human herpes virus 6, human herpes virus 8, human simplex virus, varicella‐zoster virus, mumps virus, Rubella virus, rotavirus, norovirus and adenovirus. There is still some question around whether CD is associated with the presence of a currently known virus. Copyright © 2012 John Wiley & Sons, Ltd.
Counting strongly‐connected, moderately sparse directed graphs
Authors: Pittel Boris
Published: June 2012

A sharp asymptotic formula for the number of strongly connected digraphs on n labelled vertices with m arcs, under the condition m ‐ n ≫ n2/3, m = O(n), is obtained; this provides a partial solution of a problem posed by Wright back in 1977. This formula is a counterpart of a classic asymptotic formula, due to Bender, Canfield and McKay, for the total number of connected undirected graphs on n vertices with m edges. A key ingredient of their proof was a recurrence equation for the connected graphs count due to Wright. No analogue of Wright's recurrence seems to exist for digraphs. In a previous paper with Nick Wormald we rederived the BCM formula by counting first connected graphs among the graphs of minimum degree 2, at least. In this paper, using a similar embedding for directed graphs, we find an asymptotic formula, which includes an explicit error term, for the fraction of strongly‐connected digraphs with parameters m and n among all such digraphs with positive in/out‐degrees. © 2012 Wiley Periodicals, Inc. Random Struct. Alg., 2013
Nanoparticle‐Induced Exosomes Target Antigen‐Presenting Cells to Initiate Th1‐Type Immune Activation
Authors: Zhu Motao , Tian Xin , Song Xiao , Li Yiye , Tian Yanhua , Zhao Yuliang , Nie Guangjun
Published: June 2012

The mechanisms associated with the induction of systemic immune responses by nanoparticles are not fully understood, but their elucidation is critical to address safety issues associated with the broader medical application of nanotechnology. In this study, a key role of nanoparticle‐induced exosomes (extracellularly secreted membrane vesicles) as signaling mediators in the induction of T helper cell type 1 (Th1) immune activation is demonstrated. In vivo exposure to magnetic iron oxide nanoparticles (MIONs) results in significant exosome generation in the alveolar region of Balb/c mice. These act as a source of nanoparticle‐induced, membrane‐bound antigen/signaling cargo, which transfer their components to antigen‐presenting cells (APCs) in the reticuloendothelial system. Through exosome‐initiated signals, immature dendritic cells (iDCs) undergo maturation and differentiation to the DC1 subtype, while macrophages go through classical activation and differentiation to the M1 subtype. Simultaneously, iDCs and macrophages release various Th1 cytokines (including interleukin‐12 and tumor necrosis factor α) driving T‐cell activation and differentiation. Activated APCs (especially DC1 and M1 subtypes) consequently prime T‐cell differentiation towards a Th1 subtype, thereby resulting in an orchestrated Th1‐type immune response. Th1‐polarized immune activation is associated with delayed‐type hypersensitivity, which might underlie the long‐term inflammatory effects frequently associated with nanoparticle exposure. These studies suggest that nanoparticle‐induced exosomes provoke the immune activation and inflammatory responses that can accompany nanoparticle exposure.
Der Gasballast
Authors: Henning Hinrich
Published: June 2012

Nachdem Gaede durch seine rotierende Quecksilberhochvakuumpumpe den Einzug der Vakuumtechnik in die industrielle Produktion geebnet hat, sind in weiteren zehn Jahren von ihm die Molekularpumpe und die Diffusionspumpe erfunden worden. In beiden verwendet er jeweils einen physikalischen Effekt erstmals für die Vakuumerzeugung. Auf dem langen Weg zur Konstruktion von zuverlässigen Hochvakuumpumpen erweist sich die Molekularpumpe — vorerst! — als zu empfindlich. Der Einsatz von Feinvakuumpumpen weitet sich mehr und mehr aus, die ölgedichteten rotierenden Pumpen sind aber für das Absaugen von Dämpfen aller Art auf Dauer störanfällig. Auch die „Chemikerpumpe”︁ von Leybold hilft dem Übel nicht ab. Erst Ende 1935 kann Gaede die Erfindung des Gasballasts zum Patent anmelden und damit eine bis heute wichtige Verbesserung an Feinvakuumpumpen schaffen.
Fragment library design considerations
Authors: Boyd Susan M. , Turnbull Andrew P. , Walse Björn
Published: June 2012

As fragment‐based drug design has become established as a standard component of the drug discovery armory, the design of fragment libraries has evolved according to the practicalities of detection methods, synthetic elaboration, and intended use of the libraries. Through experience, several companies have iteratively designed and redesigned their fragment libraries to these ends, and have reported their findings to aid in future library design. Here, some of these libraries are described and various empirical design considerations are reviewed. Design criteria for future directions in fragment library design are considered, such as targeting of membrane‐bound targets or disruption of protein–protein interactions.

This article is categorized under:

Computer and Information Science > Chemoinformatics
The Reaction of Cyclohexanone Azine with PCl3. Synthesis of Annulated Dichlorodiazaphosphole and its Unusual Transannulation
Authors: Kornev Alexander N. , Gorak Olga Y. , Lukoyanova Olga V. , Sushev Vyacheslav V. , Panova Julia S. , Baranov Evgenii V. , Fukin Georgy K. , Ketkov Sergei Y. , Abakumov Gleb A.
Published: June 2012

The N, N′‐annulated dichlorodiazaphosphole 1 was prepared in 55 % yield by the reaction of cyclohexanone azine (c‐HA) with two equivalents of PCl3 in pyridine. Compound 1 revealed one‐dimensional chains in crystal with short intermolecular interactions [3.194(1) Å] between phosphorus atoms of adjacent molecules. Treatment of c‐HA with MeLi (2 equiv. in Et2O) followed by addition of PCl3 gave 1 in 33 % yield. An amount of c‐HA isomerizes in these conditions to form corresponding hexahydroindazole derivative 3, which further reacts with 1 to give diazaphosphole 5 as transannulation product. Copper monochloride forms an (1:1) adduct with 5, which was characterized by its X‐ray crystal structure. Only one equivalent of PCl3 reacts with c‐HA in Et2O/Et3N mixture to form diazaphospholium chloride 2 and hexahydroindazole 3.
Na3B3O3F6: Synthesis, Crystal Structure, and Ionic Conductivity
Authors: Cakmak Güliz , Pilz Thomas , Jansen Martin
Published: June 2012

Crystalline Na3B3O3F6 was synthesized from H3BO3 and NaBF4 at 623 K, alternatively NaBO2 can be reacted with NaBF4 at 673 K. The title compound (C2/c, a = 11.866(7), b = 6.901(4), c = 9.367(6) Å, β = 113.724(9)°) contains the cyclo‐fluorooxotriborate anion B3O3F63–, which displays a planar B3O3 ring. Within the margins of experimental error, its point group symmetry is D3h. Layers of fluorinated boroxine rings and sodium atoms are stacked in an alternating manner in parallel to the ab plane. The novel sodium fluorooxoborate is a poor sodium ion conductor with conductivities of 8.7 × 10–5 and 3.6 × 10–3 S·cm–1 at 523 and 623 K, respectively.
Apparent diffusion coefficient measurements in the differentiation between benign and malignant lesions: a systematic review
Authors: Vermoolen M. A. , Kwee T. C. , Nievelstein R. A. J.
Published: June 2012

Objectives

To systematically review the value of apparent diffusion coefficient (ADC) measurement in the differentiation between benign and malignant lesions.

Methods

A systematic search of the Medline/Pubmed and Embase databases revealed 109 relevant studies. Quality of these articles was assessed using the Quality Assessment of the Studies of Diagnostic Accuracy Included in Systematic Reviews (QUADAS) criteria. Reported ADC values of benign and malignant lesions were compared per organ.

Results

The mean quality score of the reviewed articles was 50%. Comparison of ADC values showed marked variation among studies and between benign and malignant lesions in various organs. In several organs, such as breast, liver, and uterus, ADC values discriminated well between benign and malignant lesions. In other organs, such as the salivary glands, thyroid, and pancreas, ADCs were not significantly different between benign and malignant lesions.

Conclusion

The potential utility of ADC measurement for the characterisation of tumours differs per organ. Future well-designed studies are required before ADC measurements can be recommended for the differentiation of benign and malignant lesions. These future studies should use standardised acquisition protocols and provide complete reporting of study methods, to facilitate comparison of results and clinical implementation of ADC measurement for tumour characterisation.
Promoting protective factors for young adolescents: ABCD Parenting Young Adolescents Program randomized controlled trial
Authors: Burke Kylie , Brennan Leah , Cann Warren
Published: June 2012

This study examined the efficacy of a program for parents of young adolescents combining behavioral family intervention with acceptance‐based strategies. 180 parents were randomly allocated to a 6‐session group ABCD Parenting Young Adolescent Program or wait‐list condition. Completer analysis indicated parents in the intervention reported significantly higher adolescent prosocial behaviors (p = 0.020), lower conduct problems (p = 0.048) and total difficulties (p = 0.041). These parents also reported lower stress associated with adolescent moodiness (p = 0.032), parent life‐restriction (p < 0.001), adult‐relations (p < 0.001), social isolation (p = 0.012), incompetence/guilt (p < 0.001), lower stress in the parenting domain (p < 0.001) and lower overall stress (p = 0.003) relative to the control condition following the intervention period. No other statistically significant differences were evident (p < 0.05). Results of intention‐to‐treat analyses were similar. Greater reliable clinically significant change was also achieved for the intervention condition. Participants reported high satisfaction with all elements of the ABCD program. Results suggest the program may assist parents of young adolescents to promote or maintain protective factors in their families. Australian and New Zealand Clinical Trials Registry: ANZCTRN12609000194268.
EXPLAINING THE LEGAL EFFECTS OF RECOGNITION
Authors: Vidmar Jure
Published: June 2012

Recognition in contemporary international law is generally seen as a declaratory act. This is indeed the only plausible explanation in situations where a new State emerges consensually and in the absence of territorial illegality. Unilateral secession and territorial illegality, however, create different legal circumstances in which the applicable rules of international law imply and even presuppose that (collective) recognition could have constitutive effects. This article therefore suggests that the interpretation of the legal nature of recognition and non-recognition should not start on the premise that recognition always merely acknowledges the fact of the emergence of a new State. This is not to say that States cannot exist without being recognized. Rather, the legal effects of recognition may depend on the mode of a certain (attempt at) State creation.