bluuebunny/crossref_metadata_2025 huggingface dataset:
Enzymatic synthesis of rose aromatic ester (2‐phenylethyl acetate) by lipase
Authors: Kuo Chia‐Hung , Chiang Shu‐Hua , Ju Hen‐Yi , Chen Yu‐Min , Liao Ming‐Yuan , Liu Yung‐Chuan , Shieh Chwen‐Jen
Published: March 2012

BACKGROUND: 2‐Phenylethyl acetate (2‐PEAc) is a highly valued natural volatile ester with a rose‐like odour that is widely used to add scent or flavour to cosmetics, soaps, foods and drinks. In this study, 2‐PEAc was synthesised enzymatically by transesterification of vinyl acetate with 2‐phenethyl alcohol catalysed by immobilised lipase (Novozym® 435) from Candida antarctic

RESULTS: Response surface methodology and a three‐level/three‐factor Box–Behnken design were used to evaluate the effects of time, temperature and enzyme amount on the molar conversion % of 2‐PEAc. The results showed that temperature was the most important variable. Based on the ridge max analysis results, optimum enzymatic synthesis conditions were predicted as a reaction time of 79 min, a temperature of 57.8 °C and an enzyme amount of 122.5 mg. The predicted and experimental yields were 86.4 and 85.4% respectively.

CONCLUSION: Three immobilised lipases were screened and 15 reaction conditions were tested in order to find the combination for maximum yield. The optimisation of 2‐PEAc synthesis catalysed by Novozym® 435 was successfully developed. The kinetic study of this transesterification reaction showed that it followed an ordered ping‐pong bi‐bi mechanism without any inhibition by reactants. Copyright © 2012 Society of Chemical Industry
Bioaccessible nutrients and bioactive components from fortified products prepared using finger millet (Eleusine coracana)
Authors: Oghbaei Morteza , Prakash Jamuna
Published: March 2012

BACKGROUND: Finger millet (Eleusine coracana), a staple food in semi‐arid parts of the world, is a rich source of nutrients and bioactive components comparable to rice and wheat but with higher fibre content. Unprocessed and processed finger millet (whole flour (WFM), sieved flour (SFM), wafers and vermicelli with altered matrices (added Fe or Zn or reduced fibre)) were analysed for chemical composition, bioaccessible Fe, Zn and Ca, in vitro digestible starch (IVSD) and protein (IVPD) and bioactive components (polyphenols and flavonoids).

RESULTS: WFM and SFM flours differed significantly in their composition. Sieving decreased the content of both nutrients and antinutrients in WFM but increased their digestibility/bioaccessibility. WFM products with Zn and Fe showed highest IVPD, whereas SFM products with Fe showed highest IVSD. Products with externally added Fe and Zn showed maximum bioaccessibility of Fe and Zn respectively. WFM had the highest levels of total polyphenols and flavonoids, 4.18 and 15.85 g kg−1 respectively; however, bioaccessibility was highest in SFM vermicelli.

CONCLUSION: The availability of nutrients and bioactive components was influenced by both processing methods and compositional alterations of the food matrix in finger millet products, and bioaccessibility of all constituents was higher in vermicelli (wet matrix) than in wafers (dry matrix). Copyright © 2012 Society of Chemical Industry
Citizen science and observer variability during American pika surveys
Authors: Moyer‐Horner Lucas , Smith Matthew M. , Belt Jami
Published: March 2012

Within‐ and between‐group observer variability can confound scientific discovery. If observer variability can be quantified and is addressed, data collected by participants with wide ranges of experience and training can yield more reliable inferences. The American pika (Ochotona princeps) is a mammalian sentinel of climate change that has received consideration for listing under the United States Endangered Species Act. As a result, numerous pika monitoring initiatives have been started throughout the mountains in western North America. Some initiatives employ research teams of biological science technicians (professionals), whereas many rely on networks of citizen scientists, or volunteers, for data collection. To date, few studies have quantified observer variability during pika surveys; none have explored the reliability of professional crews or volunteers. We conducted pika surveys in Glacier National Park, Montana, to quantify observer variability. We investigated observer variability 1) among a crew of professionals, 2) among volunteers, and 3) between professionals and volunteers. Professionals were more consistent at identifying pika signs and estimating potential home ranges and consistently found more pika signs than did the volunteers, with the exception of pika sightings. Estimates of pika occupancy were consistent at each site among volunteers conducting sitting surveys. We suggest that sitting surveys conducted by volunteers can reliably detect pika site occupancy. However, data on population dynamics of pikas (e.g., density) should be collected by professionals. Observer variability analyses of this nature should be common practice for wildlife‐resource managers and scientists, especially with observers of varying levels of experience and motivation. © 2012 The Wildlife Society.
USING THE 137Cs TECHNIQUE TO STUDY THE EFFECT OF SOIL REDISTRIBUTION ON SOIL ORGANIC CARBON AND TOTAL NITROGEN STOCKS IN AN AGRICULTURAL CATCHMENT OF NORTHEAST CHINA
Authors: Li Q. Y. , Fang H. Y. , Sun L. Y. , Cai Q. G.
Published: March 2012

Soil organic carbon (SOC) and total nitrogen (TN) stocks can be affected by soil erosion and this is of great significance in relation to global environmental concern about environmental change. This study investigated the spatial patterns of 137Cs, SOC and TN as well as their relationships for an agricultural catchment and presents a budget analysis of the redistributions of SOC and TN for the period 1954–2010. 137Cs, SOC and TN inventories were found to be significantly correlated, and the application of the137Cs technique proved to be useful for evaluating SOC and TN dynamics in the Luvic Phaeozem soil typical of the Chinese black soil region. Spatial patterns of soil, SOC and TN were greatly influenced by shelterbelts/windbreaks within the study catchment. Higher 137Cs, SOC and TN stocks were generally found upwind of the shelterbelts and at the study catchment outlet, whereas lower stocks of 137Cs, SOC and TN occurred behind the shelterbelts (i.e. in the lee). The total net losses of SOC and TN over the past 56 years were approximately 152 and 11 t respectively, with 47 and 38 per cent of the eroded SOC and TN in soils redeposited within the study catchment, respectively. Based on the relationships of soil, SOC and TN in the investigated catchment, erosion‐induced SOC and TN losses per year are around 1·2 × 106 and 0·1 × 106 t for the typical black soil region of Northeast China. Copyright © 2012 John Wiley & Sons, Ltd.
Functionalized Synthetic Biodegradable Polymer Scaffolds for Tissue Engineering
Authors: Liu Xiaohua , Holzwarth Jeremy M. , Ma Peter X.
Published: March 2012

Scaffolds (artificial ECMs) play a pivotal role in the process of regenerating tissues in 3D. Biodegradable synthetic polymers are the most widely used scaffolding materials. However, synthetic polymers usually lack the biological cues found in the natural extracellular matrix. Significant efforts have been made to synthesize biodegradable polymers with functional groups that are used to couple bioactive agents. Presenting bioactive agents on scaffolding surfaces is the most efficient way to elicit desired cell/material interactions. This paper reviews recent advancements in the development of functionalized biodegradable polymer scaffolds for tissue engineering, emphasizing the syntheses of functional biodegradable polymers, and surface modification of polymeric scaffolds.

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Synthesis and Characterization of Poly(methyl methacrylate) Backbone Polymers Containing Side‐Chain Pendant Ruthenium(II) Bis‐Terpyridine Complexes With an Elongated Conjugated System
Authors: Breul Alexander M. , Schäfer Johann , Friebe Christian , Schlütter Florian , Paulus Renzo M. , Festag Grit , Hager Martin D. , Winter Andreas , Dietzek Benjamin , Popp Jürgen , Schubert Ulrich S.
Published: March 2012

A series of functionalized methacrylate monomers has been polymerized utilizing the reversible addition–fragmentation chain transfer (RAFT) polymerization procedure in order to synthesize side‐chain pendant Ru(II) bis‐terpyridine complexes in poly(methyl methacrylate) (PMMA) polymers by three different reaction routes. The polymers were characterized by size exclusion chromatography (SEC), 1H NMR spectroscopy, and thermal analysis. The photophysical properties of the polymers were studied by UV‐vis absorption and emission spectroscopy. Temperature dependent luminescence lifetime measurements were carried out for both monomers and polymers. In addition, cyclic voltammetry (CV) measurements were performed. All polymers revealed the typical characteristics of the Ru complex in terms of optoelectronical and electrochemical features combined with the film forming properties of a common polymer.
Lipolytic proteomics
Authors: Schittmayer Matthias , Birner‐Gruenberger Ruth
Published: March 2012

Activity‐based proteomics (ABP) employs small molecular probes to specifically label sets of enzymes based on their shared catalytic mechanism. Given that the vast majority of lipases belong to the family of serine hydrolases and share a nucleophilic active‐site serine as part of a catalytic triad, activity‐based probes are ideal tools to study lipases and lipolysis. Moreover, the ability of ABP to highlight or isolate specific subproteomes results in a massive decrease of sample complexity. Thereby, in‐depth analysis of enzymes of interest with mass spectrometry becomes feasible. In this review, we cover probe design, technological developments, and applications of ABP of lipases, as well as give an overview of relevant identified proteins. © 2012 Wiley Periodicals, Inc. Mass Spec Rev 31:570–582, 2012
Small‐Angle Scattering From Branched Polymers
Authors: Hammouda Boualem
Published: March 2012

The single‐polymer form factor is determined for branched polymers using a scaling argument in order to recover the low‐Q Porod exponent characteristic of the overall structure. The high‐Q Porod exponent characterizes the local branching structure. An alternative approach based on a high‐Q expansion contains information about functionality, branch length and branch content. The specific case of a starburst dendrimer for which the form factor is known is discussed. The model predictions are compared to small‐angle neutron scattering data from a dilute solution of dendrimer in D2O.

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Directed Diffusion Approach for Preparing Atomistic Models of Crosslinked Epoxy for Use in Molecular Simulations
Authors: Khare Ketan S. , Khare Rajesh
Published: March 2012

A directed diffusion approach is used to create atomistic models of crosslinked epoxy. In polymerization‐based approaches for preparing epoxy model structures, conversions higher than 95% are difficult to achieve due to very slow diffusion of unreacted monomers and crosslinkers in the partially formed network. This problem is overcome by creating very long bonds in the polymerization stage, and then relaxing these to equilibrium values by using a directed‐diffusion‐based relaxation strategy. The method minimizes the use of custom code by relying on the in‐built functionality in LAMMPS package (S. Plimpton, J. Comput. Phys. 1995, 117, 1). The approach allows for near‐complete conversion (≈99%) and the thermal and volumetric properties of the structures so prepared show good agreement with experimental data.

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Multiphase double‐porosity homogenization for perimeter functionals
Authors: Solci Margherita
Published: March 2012

In this paper, we study a homogenization problem for perimeter energies in highly contrasted media; the analysis of the previous paper is carried out by removing the hypothesis that the perforated mediumRn ∖ Eis composed of disjoint compact components. AssumingEto be the union of a finite numberNof connected componentsE1, … ,EN, the Γ‐limitFis amultiphaseenergy with a ‘decoupled’ surface part, obtained by homogenization from the surface tensions in eachE j, a trivial bulk term obtained as a weak limit, and a further interacting term between the phases, involving an asymptotic formula for a family minimum problems on invading an asymptotic formula for a family of minimum problems on invading domains with prescribed boundary conditions. Copyright © 2012 John Wiley & Sons, Ltd.
Complete NMR assignment of 3, 4‐seco‐lup‐20(29)‐en‐3‐oic acid from Decatropis bicolor
Authors: Ríos María Yolanda , Ramírez‐Cisneros M. Ángeles , León‐Rivera Ismael , Estrada‐Soto Samuel , Navarrete‐Vázquez Gabriel , Aguilar‐Guadarrama A. Berenice
Published: March 2012

Complete 1H and 13C NMR chemical shift assignments for 3,4‐seco‐lup‐20(29)‐en‐3‐oic acid (1) have been established by means of two‐dimensional COSY, HSQC, HMBC and NOESY spectroscopic experiments as well as by analysis of MS data. Compound 1 was isolated from Decatropis bicolor (Zucc.) Radlk. (Rutaceae) in addition to six coumarins and one alkaloid of known structure. Copyright © 2012 John Wiley & Sons, Ltd.
High magnetic field solid‐state NMR analyses by combining MAS, MQ‐MAS, homo‐nuclear and hetero‐nuclear correlation experiments
Authors: Lin Xiongchao , Ideta Keiko , Miyawaki Jin , Nishiyama Yusuke , Mochida Isao , Yoon Seong‐Ho
Published: March 2012

A general strategy of structural analysis of alumina silicate by combining various solid‐state NMR measurements such as single pulse, multi‐quantum magic angle spinning, double‐quantum homo‐nuclear correlation under magic angle spinning (DQ‐MAS), and cross‐polarization hetero‐nuclear correlation (CP‐HETCOR) was evaluated with the aid of high magnetic field NMR (800 MHz for 1H Larmor frequency) by using anorthite as a model material. The high magnetic field greatly enhanced resolution of 27Al in single pulse, DQ‐MAS, and even in triple‐quantum magic angle spinning NMR spectra. The spatial proximities through dipolar couplings were probed by the DQ‐MAS methods for homo‐nuclear correlations between both 27Al–27Al and 29Si–29Si and by CP‐HETCOR for hetero‐nuclear correlations between 27Al–29Si in the anorthite framework. By combining various NMR methodologies, we elucidated detailed spatial correlations among various aluminum and silicon species in anorthite that was hard to be determined using conventional analytical methods at low magnetic field. Moreover, the presented approach is applicable to analyze other alumina‐silicate minerals. Copyright © 2012 John Wiley & Sons, Ltd.
Hybrid proton resonance frequency/T1 technique for simultaneous temperature monitoring in adipose and aqueous tissues
Authors: Todd Nick , Diakite Mahamadou , Payne Allison , Parker Dennis L.
Published: March 2012

Thermal therapy procedures being carried out under MR guidance would be safer if temperature changes could be accurately monitored in both water‐based and fat‐based tissues. To this end, we present a hybrid proton resonance frequency (PRF)/T1 approach for simultaneously measuring PRF shift temperatures in water‐based tissues and T1 changes in fat‐based tissues. The hybrid PRF/T1 sequence is a standard radiofrequency spoiled gradient echo sequence executed in a dynamic mode with two flip angles alternating every time frame. The PRF information is extracted every time frame using the image phase in the standard approach, and the T1 information is extracted every two time frames using a variable flip angle approach. Simulation studies, ex vivo high intensity focused ultrasound heating experiments, and in vivo stability experiments were performed to test the feasibility of the approach. The results indicate that the hybrid PRF/T1 approach provides PRF temperature maps of the same quality as those obtained by traditional PRF methods while simultaneously being able to track T1 changes in fat‐based tissues. Although several potential error sources exist for the T1 measurements, the approach is a promising start toward realizing quantitative temperature measurements in both water‐based and fat‐based tissues. Magn Reson Med, 2013. © 2012 Wiley Periodicals, Inc.
Fast diffusion tensor imaging and tractography of the whole cervical spinal cord using point spread function corrected echo planar imaging
Authors: Lundell Henrik , Barthelemy Dorothy , Biering‐Sørensen Fin , Cohen‐Adad Julien , Nielsen Jens Bo , Dyrby Tim B.
Published: March 2012

Diffusion tensor imaging has been used in a number of spinal cord studies, but severe distortions caused by susceptibility induced field inhomogeneities limit its applicability to investigate small volumes within acceptable acquisition times. A way to evaluate image distortions is to map the point spread function of the voxel intensity in a reference scan. In this study, the point spread function was mapped for an echo‐planar imaging sequence in the human cervical spinal cord with isotropic resolution and large field of view. Correction with the point spread function map improved anatomical consistency, and full cervical tractography was thereby possible from a C1 seed region in healthy controls and one individual with spinal cord injury. It is suggested that point spread function mapping of the spinal cord can be used in combination with sequence‐based methods for reduction of susceptibility artifacts or in high‐field imaging settings where off‐resonance effects are pronounced. Magn Reson Med, 2013. © 2012 Wiley Periodicals, Inc.
Obstruction enhances rho‐kinase pathway and diminishes protein kinase C pathway in carbachol‐induced calcium sensitization in contraction of α‐toxin permeabilized guinea pig detrusor smooth muscle
Authors: Shahab Nouval , Kajioka Shunichi , Takahashi‐Yanaga Fumi , Onimaru Mitsuho , Matsuda Miho , Seki Narihito , Naito Seiji
Published: March 2012

Aims

We investigated the relative important role of rho kinase (ROK) and protein kinase C (PKC) pathways in carbachol (CCh)‐induced Ca2+ sensitization in α‐toxin permeabilized Guinea pig detrusor smooth muscle (DSM) following bladder outlet obstruction (BOO).

Methods

Bladder outlet obstruction was created by placement of a silver jeweler's jump rings loosely round the urethro‐vesical junction of Guinea pigs. Sham operated Guinea pig underwent a similar protocol without application of the ring and served as control. α‐Toxin permeabilized DSM strips from control Guinea pigs and those subjected to 6–8 weeks of BOO were mounted horizontally for isometric force recording in 100 µl relaxing solution on perspex block. The effect of ROK inhibitor (Y‐27632) and PKC inhibitor (GF‐109203X) on CCh‐induced Ca2+ sensitization was studied during sustained contraction. Permeabilized DSM strips were also stimulated by cumulative increase of Ca2+ concentration compared to that in control in the presence and in the absence of sensitization‐induced PKC activator, phorbol 12,13‐dibutyrate.

Results

Ca2+ sensitization‐induced by CCh was greater in BOO compared to controls. This muscarinic agonist‐induced Ca2+ sensitization was inhibited by Y‐27632 or GF‐109203X. The inhibitory effect of Y‐27632 (5 µM) was greater while the inhibitory effect of GF‐109203X (5 µM) was smaller in BOO compared to that in controls. Phorbol 12,13‐dibutyrate (1 µM) markedly increased Ca2+ sensitivity in controls but not in BOO.

Conclusions

Our findings provide the first evidence that BOO enhances the ROK pathway and diminishes the PKC pathway in CCh‐induced Ca2+ sensitization in contraction of permeabilized Guinea pig DSM and suggest that inhibitors of ROK might potentially relieve bladder dysfunction related to BOO. Neurourol. Urodynam. 31:593–599, 2012. © 2012 Wiley Periodicals, Inc.
Moving towards a comprehensive assessment of lower urinary tract symptoms (LUTS)
Authors: Coyne Karin S. , Barsdorf Alexandra I. , Thompson Christine , Ireland Andrea , Milsom Ian , Chapple Chris , Kopp Zoe S. , Bavendam Tamara
Published: March 2012

Aims

To evaluate the utility of the International Prostate Symptom Score (IPSS) and the LUTS Tool when assessing lower urinary tract symptoms (LUTS). Secondary objectives were to examine associations of LUTS and treatment seeking.

Methods

Analyses were performed using EpiLUTS data, a population‐based, cross‐sectional, Internet survey of men and women (aged ≥40) in Sweden, UK, and US with a sample of 30,000 participants. Participants completed the IPSS and the LUTS Tool. Prevalence rates of symptoms captured by the LUTS Tool were compared using IPSS summary scores: 0, 1–7, 8–19, and ≥20. LUTS Tool subscale scores were calculated. Pearson correlations between the LUTS Tool symptoms and subscales and IPSS symptoms were performed. Logistic regressions evaluated the associations of IPSS scores and LUTS Tool subscales with treatment seeking for LUTS.

Results

The IPSS did not assess some symptoms (i.e., incontinence) for which there was a high prevalence among participants. Correlations between the 7 symptoms assessed by the IPSS and LUTS Tool were moderate to high ranging between 0.37 (nocturia women) and 0.77 (weak stream men), indicating concordance. While the LUTS Tool subscales and the total IPSS score were all significantly associated with treatment seeking, the LUTS Tool OAB subscale in men and Voiding subscale in women most strongly predicted treatment seeking.

Conclusion

LUTS that are excluded from the IPSS, most notably incontinence, were prevalent even among mildly symptomatic participants. Since storage symptoms appear to drive treatment seeking, identifying, and treating these symptoms is essential when caring for patients with LUTS. Neurourol. Urodynam. 31:448–454, 2012. © 2012 Wiley Periodicals, Inc.
Usefulness of dynamic urethral resistance relation (DURR) measurement for differential diagnosis between static and dynamic urinary obstruction in male spinal cord injury patients
Authors: Vírseda Miguel , Salinas Jesús , López Antonio , Esteban Manuel
Published: March 2012

Objetive

To study the validity of Dynamic Urethral Resistance Relation (DURR) for differential diagnosis between static and dynamic urinay obstruction in male spinal cord injury patients.

Methods

A case‐control study was conducted. The case group consisted of 24 male patients with spinal cord injury, aged under 40 years, with detrusor‐periurethral sphincter dyssynergia and bladder outlet obstruction (BOO) according to the urethral resistance factor (URA). The control group consisted of 24 male patients with no neurological lesions, aged over 49 years, diagnosis of benign prostatic hyperplasia (BPH) and BOO according to Schäfer's minimum urethral opening pressure (Pmuo) and the URA. A pressure/flow study was performed in both groups, and the DURR was recorded graphically.

Results

Both groups showed significantly different DURR characteristics with respect to the number of spikes (higher in the case group), the intensity of the first three spikes and the maximum duration of the spikes (significantly longer in the case group). The patients in the case group had a DURR characterized by at least three spikes, located throughout the whole voiding cycle (pattern A). The patients in the control group had a DURR mainly characterized by a spike located at the start of micturition and a maximum second spike located at the end of micturition (pattern B).

Conclusions

Pattern A showed a sensitivity with respect to the dynamic obstruction of 79% and a specificity of 100%. The sensitivity of pattern B with respect to the diagnosis of static obstruction was 71% and the specificity was 100%. Neurourol. Urodynam. 31:549–555, 2012. © 2012 Wiley Periodicals, Inc.
Dental Pathology, Trauma and Attrition in a Zambian Iron Age Sample: A Macroscopic and Radiographic Investigation
Authors: Gibbon Victoria , Grimoud Anne‐Marie
Published: March 2012

Using morphological and radiographic methods, we analysed the dentitions of 24 individuals from Ingombe Ilede and Isamu Pati Zambian Iron Age archaeological sites. In this study, we determined the frequency and distribution of attrition, pathological conditions and dental trauma. This research also presents the first view of dental health for an Iron Age population in southern Africa. In total, 482 teeth were available for this study with 287 teeth missing, where 50 of these were lost antemortem and one individual had an erupted supernumerary first mandibular incisor. With the use of radiography and morphology, 21.5% (104/482) of the analysed teeth had at least one pathological condition or evidence of dental trauma. Some interesting dental aspects found and discussed in this paper are linear enamel hypoplastic lesions, radicular resorption, periapical lesions, fractures, dental modification and carious lesions. Many of these features were diagnosed with radiography, and this was especially important for those found below the cemento‐enamel junction (p = 0.0202) that are less obvious with macroscopic investigation alone. Additionally, the quantity and direction of dental attrition was studied. There were observed sex differences with the direction of wear, likely representing a sex‐specific cultural practice of using teeth as tools. Overall, the results show that this sample suffered relatively little from dental problems, and many of those observed features were associated with the traumatic procedure of dental modification, whereas others were age and diet‐related. Additionally, with the use of radiography, rare dental fractures and other features were diagnosed; these results demonstrate the requirement for its application in dental studies on archaeological assemblages. Copyright © 2012 John Wiley & Sons, Ltd.
Mammalian Microfaunal Remains from Khonkho Wankane (Late Formative Period), Mollo Kontu (Middle Horizon Period) and Pukara de Khonkho (Late Intermediate Period) in the BolivianAltiplano
Authors: Pokines J. T.
Published: March 2012

Paleoecological and taphonomic analysis of the mammalian microfauna from three Bolivianaltiplanosites is presented: Khonkho Wankane [Late Formative period; number of identified specimens (NISP) = 1019], Mollo Kontu (Middle Horizon period; NISP = 610) and Pukara de Khonkho (Late Intermediate period; NISP = 165). The following species, all of which are present in this region today, were identified:Akodon boliviensis(Bolivian grass mouse),Andinomys edax(Andean mouse),Auliscomys sublimis(Andean leaf‐eared mouse),Cavia porcellus(guinea pig/cuy),Chinchilla chinchilla(chinchilla),Ctenomys leucodon(white‐toothed tuco‐tuco),Eligmodontia puerulus(Andean gerbil mouse),Galea musteloides(common yellow‐toothed cavy),Lagidium viscacia(vizcacha),Neotomys ebriosus(Andean swamp rat),andOligoryzomys destructor(destructive pygmy rice rat). Some direct human involvement with the deposition of some of the larger species (Cavia porcellus,Chinchilla chinchilla,Ctenomys leucodonandLagidium viscacia) was noted, althoughC. porcelluswas identified only from a single element from Mollo Kontu. Most deposition was likely due to natural in‐burrow deaths and other natural attrition of these species. No significant shift in environment during the occupation of these sites was detected. Copyright © 2012 John Wiley & Sons, Ltd.
Addition of exenatide to insulin therapy in individuals with type 2 diabetes in UK routine clinical practice
Authors: Price Hermione C , Gorst Catherine , Ayyagari Usha , Levy Jonathan , Holman Rury R
Published: March 2012

Our aim was to study the impact of adding twice‐daily exenatide in obese patients with type 2 diabetes and poor glycaemic control who were taking insulin therapy, either alone or in combination with oral hypoglycaemic agents (OHAs), in routine clinical practice. Outcomes evaluated were glycaemic control, body weight, insulin dose, tolerability, safety and incidence of hypoglycaemia.

In an open‐label prospective study, twice‐daily exenatide was added to existing therapy in individuals with type 2 diabetes, suboptimal glycaemic control (HbA1c >7% [53mmol/mol]) and obesity (body mass index [BMI] <30kg/m2), who were receiving insulin therapy alone or in combination with OHA(s).

Thirty‐one patients (18 male) were mean (SD) age 55.7(8.6)years, weight 114.6(22.0)kg, BMI 39.1(5.6)kg/m2, waist circumference 128(13)cm and fasting capillary glucose 11.1(3.4)mmol/L. Median (IQR) known diabetes duration was 10.0(8.0, 17.9)years, HbA1c 9.5(8.8, 10.7)% and daily insulin dose 120(74, 230)units/day. Twenty patients were also taking metformin. One‐month data were available for 29 patients, three‐month data for 23 patients, six‐month data for 28 patients and 12‐month data for 21 patients. There was a mean (SD) reduction in weight from 1.1(2.6)kg (p=0.043) at one month to 4.8(7.3)kg (p=0.007) at 12 months, with a maximal reduction at six months (5.3[5.9]kg, p<0.001). Total daily insulin dose was reduced significantly by 31.8(56.5)units (p=0.010) at one month and 49.5(85.3)units (p=0.015) at 12 months. At three months there was a significant reduction in HbA1c (1.2[1.1]%, p<0.001) which was not maintained at six or 12 months (0.5[1.8]%, p=0.139, and 0.5[1.9]%, p=0.237, respectively). The only reported adverse event at 12 months was nausea, occurring in two of 15 (13%) patients. No severe episodes of hypoglycaemia were reported throughout the study.

Over one year, the addition of exenatide in individuals with type 2 diabetes on insulin therapy promoted weight loss (∼4%) with a substantial reduction in insulin dose (∼41%), but with a non‐sustained significant improvement in glycaemic control at three months only. No serious adverse events or episodes of severe hypoglycaemia were reported. Copyright © 2012 John Wiley & Sons.
Sustainable Development in the Building Sector: A Canadian Case Study on the Alignment of Strategic and Tactical Management
Authors: Herazo Benjamin , Lizarralde Gonzalo , Paquin Raymond
Published: March 2012

Increasingly, organizations view sustainable development principles as a key tool in aligning their strategic plans with specific objectives and procedures used for managing projects. However, more research is needed to identify how sustainable development contributes to aligning longer-term strategic management of clients in the building sector with their short-term needs for construction project management. We present a multicase study of three construction projects conducted by an institutional client in Canada, developed through a review and evaluation of project feasibility studies, construction project meeting transcripts, contract documentation, organization and policy documents, and seven semistructured interviews of managers involved in these projects. We found that the principles of sustainable development transcended both short-term needs and long-term responsibility, facilitating the alignment of the strategic and tactical plans.
Preparation of poly(n‐butyl acrylate)‐b‐polystyrene particles by emulsifier‐free, organotellurium‐mediated living radical emulsion polymerization (emulsion TERP)
Authors: Kitayama Yukiya , Kishida Kazuya , Minami Hideto , Okubo Masayoshi
Published: March 2012

We have successfully demonstrated the preparation of poly(n‐butyl acrylate)‐b‐polystyrene particles without any coagulation by two‐step emulsifier‐free, organotellurium‐mediated living radical emulsion polymerization (emulsion TERP) using poly(methacrylic acid) (PMAA)–methyltellanyl (TeMe) (PMAA30‐TeMe) (degree of polymerization of PMAA, 30) and 4,4′‐azobis(4‐cyanovaleric acid) (V‐501). The final particle size was ∼30 nm and second particle nucleation was not observed throughout the polymerization. Mn increased linearly in both steps with conversion and blocking efficiency was ∼75%. PDI was improved by increasing radical entry frequency into each polymer particle due to an increase of the polymerization temperature. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012
Controlled nitroxide‐mediated radical polymerization of methyl and phenyl vinyl ketone
Authors: Hepperle Johannes A. M. , Luftmann Heinrich , Studer Armido
Published: March 2012

The article describes unprecedented nitroxide‐mediated radical polymerization of methyl and phenyl vinyl ketone (MVK and PVK) using a sterically highly hindered alkoxyamine as initiator/regulator. It is shown that controlled polymerization of PVK is far more difficult to achieve than controlled MVK polymerization. Whereas for MVK high conversion resulting in polyvinyl ketone with low polydispersity index is readily obtained, the PVK polymerization provides good results only in the presence of free nitroxide and styrene as additives. Vinyl ketone polymerizations are analyzed by ESI mass spectrometry. These MS studies provide insights into the problems associated with the controlled nitroxide‐mediated polymerization of PVK. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012
Modeling SiH4/O2/Ar Inductively Coupled Plasmas Used for Filling of Microtrenches in Shallow Trench Isolation (STI)
Authors: Tinck Stefan , Bogaerts Annemie
Published: March 2012

Modeling results are presented to gain a better insight in the properties of a SiH4/O2/Ar inductively coupled plasma (ICP) and how it interacts with a silicon substrate (wafer), as applied in the microelectronics industry for the fabrication of electronic devices. The SiH4/O2/Ar ICP is used for the filling of microtrenches with isolating material (SiO2), as applied in shallow trench isolation (STI). In this article, a detailed reaction set that describes the plasma chemistry of SiH4/O2/Ar discharges as well as surface processes, such as sputtering, oxidation, and deposition, is presented. Results are presented on the plasma properties during the plasma enhanced chemical vapor deposition process (PECVD) for different gas ratios, as well as on the shape of the filled trenches and the surface compositions of the deposited layers. For the operating conditions under study it is found that the most important species accounting for deposition are SiH2, SiH3O, SiH3 and SiH2O, while ${\rm SiH}_{{\rm 2}}^{{\rm + }} $, ${\rm SiH}_{{\rm 3}}^{{\rm + }} $, ${\rm O}_{2}^{ + } $ and Ar+ are the dominant species for sputtering of the surface. By diluting the precursor gas (SiH4) in the mixture, the deposition rate versus sputtering rate can be controlled for a desired trench filling process. From the calculation results it is clear that a high deposition rate will result in undesired void formation during the trench filling, while a small deposition rate will result in undesired trench bottom and mask damage by sputtering. By varying the SiH4/O2 ratio, the chemical composition of the deposited layer will be influenced. However, even at the highest SiH4/O2 ratio investigated (i.e., 3.2:1; low oxygen content), the bulk deposited layer consists mainly of SiO2, suggesting that low‐volatile silane species deposit first and subsequently become oxidized instead of being oxidized first in the plasma before deposition. Finally, it was found that the top surface of the deposited layer contained less oxygen due to preferential sputtering of O atoms, making the top layer more Si‐rich. However, this effect is negligible at a SiH4/O2 ratio of 2:1 or lower.

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Synthesis and Dielectric Property of Novel Conjugated Polynitriles From Cyanate Ester
Authors: Zhao Xiong‐Yan , Wang Ming‐Zhu , Sun Zhan‐Ying , Niu Chun‐Mei , Xiao Ji‐Jun , Tang Er‐Jun
Published: March 2012

A novel conjugated polynitrile based on cyanate ester, plasma‐polymerized 4‐cumylphenol cyanate ester (PPCPCE) is synthesized by plasma polymerization of 4‐cumylphenol cyanate ester (CPCE) for the first time. The structural characterizations show that the plasma polymerization of CPCE proceeded mainly via the opening of π‐bonds of the OCN cyanate ester functional groups which are further on being formed into a large π‐conjugated system[0], which is quite different from the conventional thermal polymerization reaction of cyanate ester monomers, in which the cyanate ester monomer undergoes thermal polycyclotrimerization to form polycyanurate containing triazine ring structure. Moreover, the obtained PPCPCE thin film exhibits a low dielectric constant (εr), which might be a potential new candidate to be used as intermetallic dielectrics in microelectronics.

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Loading and Release of Drugs from Oxygen‐rich Plasma Polymer Coatings
Authors: Garcia‐Fernandez Maria Jose , Martinez‐Calvo Laura , Ruiz Juan‐Carlos , Wertheimer Michael R. , Concheiro Angel , Alvarez‐Lorenzo Carmen
Published: March 2012

Low‐pressure plasma‐polymerized ethylene film coatings rich in bonded oxygen groups (L‐PPE:O) were deposited on poly(ethylene terephthalate; PET) in order to act as hosts for antimicrobial drugs. Increasing O2 content in the ethylene (C2H4)/Ar–diluted oxygen (O2) gas mixture reduced the deposition rate, but increased the concentration of bonded oxygen, [O], including that of carboxylic acid groups, [COOH], as determined by X‐ray photoelectron‐ (XPS) and Fourier transform infrared (FTIR) spectroscopies, and by toluidine blue O (TBO) assays. L‐PPE:O coatings took up and sustained the release of ciprofloxacin for several hours. Steric hindrance impeded vancomycin penetration into the cross‐linked L‐PPE:O coatings. Ciprofloxacin‐loaded L‐PPE:O coatings inhibited in vitro the growth of Staphylococcus aureus. Deposition of L‐PPE:O on medical devices may endow them with ability to prevent nosocomial infections.

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Adaptive auto‐regulation of androgen receptor provides a paradigm shifting rationale for bipolar androgen therapy (BAT) for castrate resistant human prostate cancer
Authors: Isaacs John T. , D'Antonio Jason M. , Chen Shuangling , Antony Lizamma , Dalrymple Susan P. , Ndikuyeze Georges H. , Luo Jun , Denmeade Samuel R.
Published: March 2012

Cell culture/xenograft and gene arrays of clinical material document that development of castration resistant prostate cancer (CRPC) cells involves acquisition of adaptive auto‐regulation resulting in >25‐fold increase in Androgen Receptor (AR) protein expression in a low androgen environment. Such adaptive AR increase paradoxically is a liability in castrated hosts, however, when supraphysiologic androgen is acutely replaced. Cell synchronization/anti‐androgen response is due to AR binding to replication complexes (RC) at origin of replication sites (ORS) in early G1 associated with licensing/restricting DNA for single round of duplication during S‐phase. When CRPC cells are acutely exposed to supraphysiologic androgen, adaptively increased nuclear AR is over‐stabilized, preventing sufficient degradation in mitosis, inhibiting DNA re‐licensing, and thus death in the subsequent cell cycle. These mechanistic results and the fact that AR/RC binding occurs in metastatic CRPCs directly from patients provides a paradigm shifting rationale for bipolar androgen therapy (BAT) in patient progressing on chronic androgen ablation. BAT involves giving sequential cycles alternating between periods of acute supraphysiologic androgen followed by acute ablation to take advantage of vulnerability produced by adaptive auto‐regulation and binding of AR to RC in CRPC cells. BAT therapy is effective in xenografts and based upon positive results has entered clinical testing. Prostate 72:1491–1505, 2012. © 2012 Wiley Periodicals, Inc.
Management of restless legs syndrome and nocturnal cramps
Authors: Kassavetis Panagiotis , Edwards Mark
Published: March 2012

The authors describe the characteristic features of restless legs syndrome and nocturnal cramps, the primary and secondary causes and the various pharmacological and nonpharmacological treatments available, including an assessment of their efficacy. Copyright © 2012 Wiley Interface Ltd
Complex bora flow in the lee of Southern Velebit
Authors: Stiperski Ivana , Ivančan‐Picek Branka , Grubišić Vanda , Bajić Alica
Published: March 2012

The complexity of bora flow in the lee of Southern Velebit, Croatia, is investigated by means of high‐resolution numerical simulations carried out with the US Naval Research Laboratory's (NRL) Coupled Ocean–Atmosphere Mesoscale Prediction System (COAMPS) model. The aim of this study is to identify reasons for the strong spatial variability of bora in the wider Zadar region and the uncharacteristically weak bora in the city of Zadar. The primary focus is put on the severe bora episode of 20 December 2004 during which a sodar (sonic detection and ranging) system was operated at Zemunik airport. Numerical results are verified against the available surface and upper‐air observations. Upstream conditions governing dynamics of this particular bora event are characterized by the presence of a mean‐state critical level at 3–4 km above mean sea‐level (AMSL) defining the upstream bora layer. Low‐level airflow over Zadar peninsula during this event displays marked temporal variability. During the morning, a highly three‐dimensional and unsteady wake (i.e. region of reduced wind speed) is established over Zadar peninsula, downstream of a hydraulic jump that forms in the lee of, but not collocated with, highest portions of the Southern Velebit terrain. During its most extensive phase the wake scales the entire length of Zadar peninsula in the horizontal and extends up to the critical level in the vertical. A wake vortex develops as the flow reverses along the wake centreline. In the evening hours, an undular bore forms in the same location, with large‐amplitude waves on top of it inducing boundary layer separation and rotors. Wake flow is affected both by changes in the upstream atmospheric structure and diurnal boundary‐layer evolution. Sensitivity experiments show that the influence of Velebit's height is particularly strong, governing the onset and strength of bora. The terrain of Zadar peninsula exerts a strong influence on the characteristics of the developed bora flow, particularly when non‐hydrostatic effects are significant. Boundary layer separation is particularly sensitive to downstream orography. Copyright © 2012 Royal Meteorological Society
Modelling the vertical structure of the atmospheric boundary layer over Arctic fjords in Svalbard
Authors: Kilpeläinen T. , Vihma T. , Manninen M. , Sjöblom A. , Jakobson E. , Palo T. , Maturilli M.
Published: March 2012

The vertical structure of the atmospheric boundary layer (ABL), simulated with the mesoscale model Weather Research and Forecasting (WRF) as well as with its polar optimized version Polar WRF, was compared to tethered balloon soundings and mast observations taken in March and April 2009 from two Arctic fjords in Svalbard. From twelve short (48 h) simulations, the Quasi‐Normal Scale Elimination scheme for the ABL and the NOAH land surface scheme for the surface were found to perform best and were selected for one long (16 day) simulation. The differences in performance of the standard WRF and Polar WRF were marginal. A warm bias, especially near the surface, was found in the modelled temperature profiles related to underestimated temperature inversion strength and depth. The modelled humidity inversions were generally deeper but weaker than the observed, and often occurred independently of temperature inversions. The largest errors in temperature and humidity occurred under high pressure conditions. Multiple temperature and humidity inversions were usually not captured by WRF. Compared to the compact sea ice east of Svalbard, the modelled temperature and humidity inversions were weaker and less frequent over the fjords. The biases in modelled wind speed profiles were closely related to low‐level jets (LLJs); the modelled LLJs were stronger and deeper, and typically located at higher altitudes than the observed LLJs. Errors in the near‐surface variables were notably reduced by applying post‐processing equations based on other modelled variables. Copyright © 2012 Royal Meteorological Society
A two‐state reactivity rationale for the reaction of ta atom with acetonitrile in the gas phase
Authors: Ji Dafang , Wang Yongcheng , Jin Yanzi , Lv Lngling , Wang Cuilan , Nian Jingyan
Published: March 2012

The spin‐forbidden reaction mechanism of Ta (4F, 5d36s2) with CH3CN, on two different potential surfaces (PESs) has been investigated at the B3LYP, MP2, and CCSD level of theory. Crossing points between the PESs are located using different methods, and possible spin inversion processes are discussed by means of spin‐orbit coupling calculations. As a result, the reaction system will change its spin multiplicities near this crossing seam, leading to a significant decrease in the barrier of 2‐4TS3 from 24.17 to 5.36 kcal/mol, which makes the reaction access to a lower energy pathway and accelerate the reaction rate. © 2012 Wiley Periodicals, Inc.
DFT, FT‐Raman, FTIR, NMR, and UV–Vis studies of a hetarylazo indole dye
Authors: Çatıkkaş Berna , Aktan Ebru , Seferoǧlu Zeynel
Published: March 2012

In this study, computational calculations of 1,2‐dimethyl‐3‐[(5‐methylsulfanyl‐1,3,4‐thiadiazol‐2‐yl)diazenyl]‐1H‐indole have been carried out using the Becke‐3‐Lee–Yang–Parr density functional methods with 6‐311+G(d,p) basis set. The geometry optimization and fundamental frequencies of the most stable configuration have been calculated. The FTIR and FT‐Raman spectra of the compound have been recorded and compared to the calculated frequency values. The total energy distribution of the fundamental modes has been obtained using scaled quantum mechanical program. The 1H NMR chemical shifts have been calculated using the gauge‐independent atomic orbital approach. The theoretical electronic absorption spectra have been calculated using time‐dependent density functional theory. The conductor‐like screening solvation model has been applied to calculate the chemical shifts and maximum absorption wavelength values. The calculated values have been compared with the corresponding experimental results. © 2012 Wiley Periodicals, Inc.
Theoretical investigations of the electronic states of porphyrins. IV. Low‐lying electronic states of bisammineporphinatoiron(II)
Authors: Rawlings Diane C. , Gouterman Martin , Davidson Ernest R. , Feller David
Published: March 2012

Ab initio CI calculations are reported on the lowest quintet, triplet, and singlet states of FeII(P) (NH3)2. The lowest singlet state has strong mixing between the configuration (dxy2 (dπ)4 and (dxy)2(dπ)3egπ*. The lowest quintet is mixed between 6A1g)dπ and (6A1g)egπ*, where 6A1g refers to the high‐spin ferric configuration. We calculate many low‐energy states as 3(π→π*) ring and metal triplet and quintet configurations [“triptriplets” and “tripquintets”]. The calculations also show low‐energy charge‐transfer configurations of ring anion excited quartets and ferric quartets and sextets [“quartquartets” and “quartsextets”]. The farthest red x,y‐polarized bands of the experimental spectra of low‐spin hemoproteins are identified as dxy → egπ* or dπ → d mixed with dπ → d and the z‐polarized bands are assigned as dπ → egπ*. The farthest red x,y‐polarized bands of the high‐spin hemoproteins are identified as excited quartsextet states. Picosecond transients observed in FeII(TPP) (pip)2 are attributed to an initial 1(dπ → egπ*) state, which inter‐system crosses to high‐spin states that lose one ligand.
Theoretical investigations of Fe porphyrins. V. Low‐lying electronic states of bisammineporphinatoiron(III)
Authors: Rawlings Diane C. , Gouterman Martin , Davidson Ernest R. , Feller David
Published: March 2012

Ab initio CI calculations are reported on the lowest doublet, quartet, and sextet states of [FeIII(P)(NH3)2]+. The low‐spin ground state is calculated as (dxy2 (dπ)3 with dxy(dπ)4 higher by 0.15 eV. The near‐ir bands at ∼1 eV observed in low‐spin ferriheme proteins are attributed to (π → dπ) transitions. The lowest high‐spin state is 6A1g, and the near‐ir transitions of the high‐spin ferriheme proteins observed at ∼1.2 eV are attributed to higher 6[tripsextet] excited states [i.e., ring triplet, metal sextet]. The 30‐ps “triplet” transient populated with low quantum yield observed in laser‐flash studies on FeIII(TPP)CI [TPP = tetrapbenylporphyrin] may be an 1[tripsextet] state.
Contraction operator over electronic fock space. I. Symmetry properties
Authors: Panin A. I.
Published: March 2012

Permutation symmetry of the contraction operator over the electronic Fock space is studied in detail. A direct description of the preimage of arbitrary operator with respect to the contraction is given in terms of the Gel'fand‐Tzetlin operator basis set. Strong and weak forms of the generalized representability problem are briefly discussed.