bluuebunny/crossref_metadata_2025 huggingface dataset:
STEREOLOGY OF NANO-MATERIALS
Authors: Wejrzanowski Tomasz , Lewandowska Małgorzata , Kurzydłowski Krzysztof J
Published: July 2011

Nano-structured materials attract a growing attention due to their superior mechanical and physical properties. Such properties are inherently related to the unique structure which is controlled at the nano-scale. In the early stage of their development, the structural characterization of nano-materials was limited to the average grain/particle size. However, nano-grains/particles form stochastic populations with diverse size and shape. The recent experimental and theoretical results show that in addition to the average size, size diversity of grains/particles has a significant effect on the properties of nano-materials. This rationalizes more advanced description of the structures of nano-materials. Advanced microscopic methods are now available to image microstructure of nano-materials, e.g., HRSTEM and AFM. The ultra-high resolution images can be efficiently processed to obtain quantitative description of the nano-grains/particles. Examples are shown how such a description can be used for optimizing the microstructures of modern engineering nano-materials.
STEREOLOGICAL CHALLENGES WHEN WORKING WITH HEART MUSCLE FIBRES
Authors: Brüel Annemarie
Published: July 2011

This contribution is based on a series of studies, where stereological methods were applied to hearts from rats treated with growth hormone. A method to estimate the total number of cardiac myocytes is described and, furthermore, length estimates of heart muscle fibres are discussed.
VARIANCES OF LENGTH AND SURFACE AREA ESTIMATES BY SPATIAL GRIDS: PRELIMINARY STUDY
Authors: Janáček Jiří , Kubínová Lucie
Published: July 2011

Periodic spatial grids can be used for unbiased estimation of length and surface area of objects by counting or measuring intersections of the objects with the grids. The estimators are theoretically based on discrete approximation of well established integral geometric formulas. The variance of the estimates depends on properties of both the grid and the measured objects. Main results of the theory of variance of the isotropic uniform random (IUR) volume estimation by spatial grids, especially a formula relating the variance of the volume estimator with the object surface area and the grid constant, are recapitulated. To identify main features of length and surface area IUR estimates the variance due to rotation and simple asymptotic formulas for the residual variance of estimates of selected model objects is calculated. Surface area estimates by multiple grids of parallel lines in 3D and of the variance of length estimates by periodic grids of planes or spheres in ddimensional space are studied.
MEASUREMENT OF THE SHORTEST PATH LENGTH; DISTANCE ESTIMATION WITHIN THE 3D BORDERS OF A TISSUE OF INTEREST
Authors: Boer Bouke A De , Voorbraak Frans PJM , Berg Gert Van Den , Ruijter Jan M
Published: July 2011

Volume data, such as 3D reconstructions from histological sections orMRI and CT data, are commonly used in studies in biology and medicine. The quantification of morphological parameters and changes within a region of interest is a key concern in such studies. Specifically, it is often required to measure the distance between two points. These distance measurements have to follow a track through the tissue when measuring in sheetlike or contorted organs like the developing heart. A tool was developed that enables this kind of distance measurements. Three existing neighborhood estimators were compared; two of Verwer and one of Kiryati, all originally designed to compute chamfer distances in data sets with isotropic, cubic voxels. The estimators were therefore adjusted to handle non-isotropic data sets. Moreover, the shortest path along a track within a given tissue was calculated. The measurement of known distances, through a simplified model of an early heart tube, with anisotropic voxels was used decide which of the three estimators should be implemented. The observed Root Mean Square (RMS) errors were similar to the ones reported in literature in the unrestrained isotropic case. The adjusted Verwer estimator measuring in a 53 neighborhood performed best by far with the lowest mean and RMS errors.
STATISTICAL ANALYSIS OF TOMOGRAPHIC RECONSTRUCTION ALGORITHMS BY MORPHOLOGICAL IMAGE CHARACTERISTICS
Authors: Lǖck Sebastian , Kupsch Andreas , Lange Axel , Hentschel Manfred P , Schmidt Volker
Published: July 2011

We suggest a procedure for quantitative quality control of tomographic reconstruction algorithms. Our task-oriented evaluation focuses on the correct reproduction of phase boundary length and has thus a clear implication for morphological image analysis of tomographic data. Indirectly the method monitors accurate reproduction of a variety of locally defined critical image features within tomograms such as interface positions and microstructures, debonding, cracks and pores. Tomographic errors of such local nature are neglected if only global integral characteristics such as mean squared deviation are considered for the evaluation of an algorithm. The significance of differences in reconstruction quality between algorithms is assessed using a sample of independent random scenes to be reconstructed. These are generated by a Boolean model and thus exhibit a substantial stochastic variability with respect to image morphology. It is demonstrated that phase boundaries in standard reconstructions by filtered backprojection exhibit substantial errors. In the setting of our simulations, these could be significantly reduced by the use of the innovative reconstruction algorithm DIRECTT.
QUANTITATIVE ANALYSIS OF BANDED STRUCTURES IN DUAL-PHASE STEELS
Authors: Krebs Benoit , Hazotte Alain , Germain Lionel , Gouné Mohamed
Published: July 2011

Dual-Phase (DP) steels are composed of martensite islands dispersed in a ductile ferrite matrix, which provides a good balance between strength and ductility. Current processing conditions (continuous casting followed by hot and cold rolling) generate 'banded structures' i.e., irregular, parallel and alternating bands of ferrite and martensite, which are detrimental to mechanical properties and especially for in-use properties. We present an original and simple method to quantify the intensity and wavelength of these bands. This method, based on the analysis of covariance function of binary images, is firstly tested on model images. It is compared with ASTM E-1268 standard and appears to be more robust. Then it is applied on real DP steel microstructures and proves to be sufficiently sensitive to discriminate samples resulting from different thermo-mechanical routes.
STEREOLOGICAL ESTIMATION OF SURFACE AREA FROM DIGITAL IMAGES
Authors: Ziegel Johanna , Kiderlen Markus
Published: July 2011

A sampling design of local stereology is combined with a method from digital stereology to yield a novel estimator of surface area based on counts of configurations observed in a digitization of an isotropic 2- dimensional slice with thickness s. As a tool, a result of the second author and J. Rataj on infinitesimal increase of volumes of morphological transforms is refined and used. The proposed surface area estimator is asymptotically unbiased in the case of sets contained in the ball centred at the origin with radius s and in the case of balls centred at the origin with unknown radius. For general shapes bounds for the asymptotic expected relative worst case error are given. A simulation example is discussed for surface area estimation based on 2×2×2-configurations.
STRUCTURALLY ADAPTIVE MATHEMATICAL MORPHOLOGY BASED ON NONLINEAR SCALE-SPACE DECOMPOSITIONS
Authors: Angulo Jesús , Velasco-Forero Santiago
Published: July 2011

Standard formulation of morphological operators is translation invariant in the space and in the intensity: the same processing is considered for each point of the image. A current challenging topic in mathematical morphology is the construction of adaptive operators. In previous works, the adaptive operators are based either on spatially variable neighbourhoods according to the local regularity, or on size variable neighbourhoods according to the local intensity. This paper introduces a new framework: the structurally adaptive mathematical morphology. More precisely, the rationale behind the present approach is to work on a nonlinear multi-scale image decomposition, and then to adapt intrinsically the size of the operator to the local scale of the structures. The properties of the derived operators are investigated and their practical performances are compared with respect to standard morphological operators using natural image examples.
ON THE DILATED FACETS OF A POISSON-VORONOI TESSELLATION
Authors: Redenbach Claudia
Published: July 2011

In this paper, the parallel set ΞR of the facets ((d−1)-faces) of a stationary Poisson-Voronoi tessellation in ℝ2 and ℝ3 is investigated. An analytical formula for the spherical contact distribution function of the tessellation allows for the derivation of formulae for the volume density and the specific surface area of ΞR. The densities of the remaining intrinsic volumes are studied by simulation. The results are used for fitting a dilated Poisson-Voronoi tessellation to the microstructure of a closed-cell foam.
POROSITY EVALUATION OF FLAME-SPRAYED AND HEAT-TREATED NICKEL-BASED COATINGS USING IMAGE ANALYSIS
Authors: Bergant Zoran , Grum Janez
Published: July 2011

Flame sprayed coatings are susceptible to the formation of inter-connected elongated porosity due to the lack of fusion between sprayed particles or the expansion of gases generated during the spraying process. The partial remelting of self-fluxing Ni-Cr-B-Si coating after spraying is an efficient method to reduce porosity and to improve coating microstructural and mechanical properties. The paper describes the image preprocessing procedure for noise removal which separates the pores from the background and the noise. The optimal temperature and time of a furnace heat treatment of Ni-Cr-B-Si coated specimens was determined by using a three-level factorial experiment. The purpose was to obtain the lowest possible porosity. Equivalent diameter, elongation, and major axis angle were analyzed and compared using probability density functions. The experiment shows zero-percent porosity cannot be obtained with a partial remelting of flame-sprayed Ni-Cr-B-Si coatings; however, porosity can be greatly reduced. This method of coating post-processing not only favours pore size and shape but also eliminates the undesired network of interconnected elongated pores.
THE USE OF FRACTAL GEOMETRY FOR THE ASSESSMENT OF THE DIVERSIFICATION OF MACRO-PORES IN CONCRETE
Authors: Konkol Janusz , Prokopski Grzegorz
Published: July 2011

The article presents the results of examination of the fractal dimension D of macro-pores in concrete. The concretes were made from coarse basalt aggregate. Fractal examinations showed that the fractal dimension D of macro-pores in concrete was different, depending on the water-cement ratio W/C. The performed examination of macro-pores in concretes has shown the existence of a statistically significant correlation between the fractal dimension DBC, as determined by the box method, the relative number of pore crosssections NA (or the number of pores N) and the total air content A, as well as between the fractal dimension DBC, the relative number of pore cross-sections NA and the water-cement ratio W/C.
The Iron Oxides Strike Back: From Biomedical Applications to Energy Storage Devices and Photoelectrochemical Water Splitting
Authors: Tartaj Pedro , Morales Maria P. , Gonzalez‐Carreño Teresita , Veintemillas‐Verdaguer Sabino , Serna Carlos J.
Published: July 2011

Abundance combined with facile synthesis, easy accessibility to different oxidation states and polymorphs, variety of electronic and magnetic properties, low biotoxicity and natural elimination make of iron oxides a prototype of the ideal functional material. In this research news, we briefly describe some of the fundaments and perspectives of the use of iron oxides in biomedicine, energy storage devices (anodes for lithium ion batteries), photoelectrochemical water splitting and other forms of catalysis.
MS2 removal from high NOM content surface water by coagulation ‐ ceramic microfiltration, for potable water production
Authors: Meyn Thomas , Leiknes Tor Ove , König Anne
Published: July 2011

MS2 bacteriophages removal from surface water, characterized by high natural organic matter (NOM) content, was investigated by inline coagulation/flocculation pretreatment followed by ceramic microfiltration (MF). MS2 and DOC removal increased with lower pH and higher coagulant dose. Lowering the coagulant pH from 6.5 to 5.5 for polyaluminum chloride (PACl), and to 5.0 for iron chloride (FeCl), respectively, along with doubling of the coagulant dose from 2 to 4 mg Al/L, and from 4 to 8 mg Fe/L, respectively, maximized the virus removal, resulting in more than six log unit reductions up to complete virus retention. However, high residual metal concentrations were found under such conditions. Comparison of conventional two‐stage coagulation pretreatment with simple inline coagulation did not show any significant performance differences. Both investigated coagulants showed virus inactivation about two log units after 60 min contact time, which is equivalent to a virus inactivation of 99%. This inactivation was only reversible to a small extend by chemical or physical floc destruction. The investigated process combination can comply with modern hygienic barrier standards. © 2011 American Institute of Chemical Engineers AIChE J, 2012
Modeling of CO2 mass transport across a hollow fiber membrane reactor filled with immobilized enzyme
Authors: Zhang Ya‐Tao , Dai Xing‐Guo , Xu Guo‐Hua , Zhang Lin , Zhang Hao‐Qin , Liu Jin‐Dun , Chen Huan‐Lin
Published: July 2011

The enzyme‐based contained liquid membrane reactor to capture CO2 from the closed spaces is a very complicated process with large numbers of interdependent variables. A theoretical and experimental analysis of facilitated transport of CO2 across a hollow fiber membrane reactor filled with immobilized carbonic anhydrase (CA) by nanocomposite hydrogel was presented. CO2 concentration profiles in the feed gas phase and the membrane wall were achieved by numeric simulation. The effects of CO2 concentration, CA concentration, and flow rate of feed gas on CO2 removal performance were studied in detail, and the model solution agrees with the experimental data with a maximum deviation of up to 18.7%. Moreover, the effect of CO2 concentration on the required membrane areas for the same CO2 removal target (1 kg/day) was also investigated. This could provide real‐world data and scientific basis for future development toward a final efficient CO2 removal device. © 2011 American Institute of Chemical Engineers AIChE J, 2012
Wolf–Hirschhorn syndrome due to pure and translocation forms of monosomy 4p16.1 → pter
Authors: Iwanowski Piotr S. , Panasiuk Barbara , Van Buggenhout Griet , Murdolo Marina , Myśliwiec Marta , Maas Nicole M.C. , Lattante Serena , Korniszewski Lech , Posmyk Renata , Pilch Jacek , Zajączek Stanislaw , Fryns Jean‐Pierre , Zollino Marcella , Midro Alina T.
Published: July 2011

The aim of this study was to obtain a quantitative definition of Wolf–Hirschhorn syndrome (WHS) through systematic phenotypic analyses in a group of six children with 4p15.32 → pter, 4p15.33 → pter, or 4p16.1 → pter monosomy (considered together as M4p16.1). These results were used for evaluation of the phenotypic effects of a double chromosome imbalance in one child with 4p16.1 → pter monosomy and additional 11q23.3 → qter trisomy. Children with pure M4p16.1 presented with a total of 227 clinical and morphological traits, of which 119 were positive in at least two of them. These traits overlap to a great extent with clinical criteria defining the WHS phenotype. Among the 103 traits identified in the child with unbalanced translocation der(4)t(4;11)(p16.1;q23.3), most clinical and developmental traits (but only 11 morphological) were found to be shared by WHS children with pure M4p16.1 and at least one reported patient with pure 11q trisomy. Forty‐six traits of this child corresponded solely to those identified in at least one child with pure M4p16.1. Only five traits of the hybrid phenotype were present in at least one child with pure distal 11q trisomy but in none of the present children with pure M4p16.1. In conclusion, most of the morphological traits of the hybrid phenotype in the child with der(4)t(4;11)(p16.1;q23.3) can be attributed to the M4p16.1, whereas their overlap with those associated with pure distal 11q trisomy is less evident. Phenotype analyses based on the same systematic data acquisition may be useful in understanding the phenotypic effects of different chromosome regions in complex rearrangements. © 2011 Wiley‐Liss, Inc.
Expanding the clinical and neuroradiological phenotype of 6q27 microdeletion: Olfactory bulb aplasia and anosmia
Authors: Gerber J.C. , Neuhann T.M. , Tyshchenko N. , Smitka M. , Hackmann K.
Published: July 2011

Subtelomeric deletions of chromosome 6q may result in a syndrome with brain malformations, comprising hydrocephalus and hypoplasia of the corpus callosum. Aplasia of the olfactory bulbs (OB) or anosmia has not been described in this syndrome. We describe a 3‐year‐old girl and a 25‐year‐old man with subtelomere 6q deletions. Both patients had aplastic OB and hydrocephalus. Subtelomeric 6q deletions might be underdiagnosed as anosmia can be the only symptom. © 2011 Wiley‐Liss, Inc.
Delineation of dermatan 4‐O‐sulfotransferase 1 deficient Ehlers–Danlos syndrome: Observation of two additional patients and comprehensive review of 20 reported patients
Authors: Shimizu Kenji , Okamoto Nobuhiko , Miyake Noriko , Taira Katsuaki , Sato Yumiko , Matsuda Keiko , Akimaru Noriko , Ohashi Hirofumi , Wakui Keiko , Fukushima Yoshimitsu , Matsumoto Naomichi , Kosho Tomoki
Published: July 2011

Loss‐of‐function mutations in CHST14, dermatan 4‐O‐sulfotransferase 1 (D4ST1) deficiency, have recently been found to cause adducted thumb‐clubfoot syndrome (ATCS; OMIM#601776) and a new type of Ehlers–Danlos syndrome (EDS) coined as EDS Kosho Type (EDSKT) [Miyake et al., 2010], as well as a subset of kyphoscoliosis type EDS without lysyl hydroxylase deficiency (EDS VIB) coined as musculocontractural EDS (MCEDS) [Malfait et al., 2010]. Lack of detailed clinical information from later childhood to adulthood in ATCS and lack of detailed clinical information from birth to early childhood in EDSKT and MCEDS have made it difficult to determine whether these disorders would be distinct clinical entities or a single clinical entity with variable expressions and with different presentations depending on the patients' ages at diagnosis. We present detailed clinical findings and courses of two additional unrelated patients, aged 2 years and 6 years, with EDSKT with a comprehensive review of 20 reported patients with D4ST1 deficiency, which supports the notion that these disorders constitute a clinically recognizable form of EDS. The disorder, preferably termed D4ST1‐deficient EDS, is characterized by progressive multisystem fragility‐related manifestations (joint dislocations and deformities, skin hyperextensibility, bruisability, and fragility; recurrent large subcutaneous hematomas, and other cardiac valvular, respiratory, gastrointestinal, and ophthalmological complications) resulting from impaired assembly of collagen fibrils, as well as various malformations (distinct craniofacial features, multiple congenital contractures, and congenital defects in cardiovascular, gastrointestinal, renal, ocular, and central nervous systems) resulting from inborn errors of development. © 2011 Wiley‐Liss, Inc.
Cross‐linked poly(4‐vinylpyridine/styrene) copolymer‐supported bismuth(III) triflate: an efficient heterogeneous catalyst for silylation of alcohols and phenols with HMDS
Authors: Lee Sang‐Hyeup , Kadam Santosh T.
Published: July 2011

Cross‐linked poly(4‐vinylpyridine/styrene) copolymer‐supported bismuth(III) triflate (30P/S‐Bi) effectively activates hexamethyldisilazane (HMDS) for the silylation of alcohols and phenols. By the use of this heterogeneous catalytic system, a wide range of alcohols as well as phenols are converted into their corresponding trimethylsilyl ethers in high yield under mild reaction conditions. The catalyst was reused more than 10 times without significant loss of its catalytic activity. Copyright © 2011 John Wiley & Sons, Ltd.
Regioselective synthesis of 1,4‐disubstituted triazoles using bis[(L)prolinato‐N,O]Zn complex as an efficient catalyst in water as a sole solvent
Authors: Kidwai Mazaahir , Jain Arti
Published: July 2011

A concise, convenient and mild route for one‐pot regioselective synthesis of N‐aryl‐ and N‐alkyltriazoles in water as a sole solvent is reported. The methodology involves a three‐component reaction comprising aryl/alkyl‐alkyne, sodium azide and aryl/alkyl/allyl halide catalyzed by zinc(II) L‐prolinate. Prominent features of our protocol are incorporation of transition metal catalyst other than copper, water as the reaction medium, recyclability of catalyst and avoidance of hazardous aryl azide as a reactant. Copyright © 2011 John Wiley & Sons, Ltd.
Ru–η6‐benzene–phosphine complex‐catalyzed transfer hydrogenation of ketones
Authors: Wang Lei , Yang Qin , Fu Hai‐Yan , Chen Hua , Yuan Mao‐Lin , Li Rui‐Xiang
Published: July 2011

Three Ru–η6‐benzene–phosphine complexes bearing tri‐(p‐methoxyphenyl)phosphine, triphenylphosphine and tri‐(p‐trifluoromethylphenyl)phosphine were synthesized and characterized by 31P{1H} NMR, 1H NMR, 13C{1H} NMR and elemental analyses. Complex 1 was further identified by X‐ray crystallography. These complexes exhibit good to excellent activities for the transfer hydrogenation of ketones in refluxing 2‐propanol, and the highest turnover frequency (TOF) is up to 5940 h−1. The effect of electronic factors of these complexes on the transfer hydrogenation of ketones reveals that the catalytic activity is promoted by electron‐donating phosphine and the catalyst stability is improved by electron‐withdrawing phosphine. Copyright © 2011 John Wiley & Sons, Ltd.
Cure kinetic of castor oil‐based polyurethane
Authors: Milanese Andressa Cecília , Cioffi Maria Odila Hilário , Voorwald Herman Jacobus Cornelis , Shigue Carlos Yujiro
Published: July 2011

This research presents the kinetic studies on the cure reactions of a new material, castor oil‐based polyurethane resin. Thermal analysis by isothermal differential scanning calorimetry was used, as a variety of factors affect its cure, including formulation and polymerization process. The kinetic reaction of this catalyzed system is described by nth order equation. Castor oil, a vegetable triglyceride, was reacted with methylene diphenyl 4,4′‐diisocyanate to produce an elastomeric matrix. The objective of this research is thermal characterization of new polyurethane that is less aggressive to humans and environment; therefore, castor oil used on the synthesis is derived from a natural and renewable resource. The activation energy measured for the castor oil‐based polyurethane resin studied in this work was about 56 kJ/mol. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Properties of flat‐pressed wood plastic composites containing fire retardants
Authors: Ayrilmis Nadir , Benthien Jan T. , Thoemen Heiko , White Robert H.
Published: July 2011

This study investigated physical, mechanical, and fire properties of the flat‐pressed wood plastic composites (WPCs) incorporated with various fire retardants (FRs) [5 or 15% by weight (wt)] at 50 wt % of the wood flour (WF). The WPC panels were made from dry‐blended WF, polypropylene (PP) with maleic anhydride‐grafted PP (2 wt %), and FR powder formulations using a conventional flat‐pressing process under laboratory conditions. The water resistance and strength values of the WPC panels were negatively affected by increasing the FR content as compared to the WPC panels without FR. The WPC panels incorporated with zinc borate (ZB) gave an overall best performance in both water resistance and strength values followed by the panels containing magnesium hydroxide (MH) and ammonium polyphosphate (APP). For these three FR's, the best fire resistance as measured in the cone calorimeter was obtained with the 15 wt % APP treatment and then followed by 15 wt % ZB, or 15 wt % MH formulations. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
An analysis of the educational value of low‐fidelity anatomy models as external representations
Authors: Chan Lap Ki , Cheng Maurice M.W.
Published: July 2011

Although high‐fidelity digital models of human anatomy based on actual cross‐sectional images of the human body have been developed, reports on the use of physical models in anatomy teaching continue to appear. This article aims to examine the common features shared by these physical models and analyze their educational value based on the literature on cognition, learning, and external representations. A literature search on these physical models in three popular anatomy journals published over a 10‐year period from 2001 to 2010 found that all of them have low fidelity: they oftentimes do not closely resemble the regions of the human body they are representing. They include only a small number of the structures that exist in these regions of the human body and do not accurately represent the shape and surface details of these structures. However, these models strongly correspond to the human body in the spatial relationship of the represented structures, which is crucial to achieving their educational purpose of teaching three‐dimensional comprehension and anatomical reasoning. The educational value of these models includes acting as memory aids, reducing cognitive overload, facilitating problem solving, and arousing students' enthusiasm and participation. Because these models often lack a close resemblance to the human body, their use in anatomy teachingshould always be accompanied by adequate explanations to the students to establish the correspondence between the models and the parts of the human body they are representing. Anat Sci Educ. © 2011 American Association of Anatomists.
Dynamic Covalent Chemistry: A Facile Room‐Temperature, Reversible, Diels–Alder Reaction between Anthracene Derivatives and N‐Phenyltriazolinedione
Authors: Roy Nabarun , Lehn Jean‐Marie
Published: July 2011

A series of readily accessible, dynamic Diels–Alder reactions that are reversible at room temperature have been developed between anthracene derivatives as dienes and N‐phenyl‐1,2,4‐triazoline‐3,5‐dione as the dienophile. The adducts formed undergo reversible component exchange to form dynamic libraries of equilibrating cycloadducts. Furthermore, reversible adduct formation allows temperature‐dependent modulation of the fluorescent properties of anthracene components; a feature of potential interest for the design of optodynamic polymeric materials by careful selection and manipulation of these simple dienes and dienophiles.
Chemical Modification and Organelle‐Specific Localization of Orlistat‐Like Natural‐Product‐Based Probes
Authors: Yang Peng‐Yu , Liu Kai , Zhang Chongjing , Chen Grace Y. J. , Shen Yuan , Ngai Mun Hong , Lear Martin J. , Yao Shao Q.
Published: July 2011

Orlistat, also known as tetrahydrolipstatin (THL), is an FDA‐approved anti‐obesity drug with potential anti‐cancer activity. Previously, we developed a chemical proteomic approach, based on the Orlistat‐like probe (1a) for large‐scale identification of unknown cellular targets of Orlistat in human hepatocytes. In this article, we report the chemical synthesis and biological evaluation of an expanded set of Orlistat‐like compounds, with the intention to further dissect and manipulate potential cellular targets of Orlistat. In doing so, we carried out proteome‐wide activity‐based profiling and large‐scale pull‐down/LCMS analysis of these compounds in live HepG2 cells, and successfully identified many putative cellular targets for Orlistat and its structural analogues. By qualitatively assessing the spectra counts of potential protein hits against each of the seventeen Orlistat analogues, we obtained both common and unique targets of these probes. Our results revealed that subtle structural modifications of Orlistat led to noticeable changes in both the cellular potency and target profiles of the drug. In order to further improve the cellular activity of Orlistat, we successfully applied the well‐established AGT/SNAP‐tag technology to our cell‐permeable, benzylguanine (BG)‐containing Orlistat variant (4). We showed that the drug could be delivered and effectively retained in different sub‐cellular organelles of living cells. This strategy may provide a general and highly effective chemical tool for the potential sub‐cellular targeting of small molecule drugs.
Long-term outcome of isolated limb perfusion with tumour necrosis factor-α for patients with melanoma in-transit metastases
Authors: Deroose J P , Grünhagen D J , Van Geel A N , De Wilt J H W , Eggermont A M M , Verhoef C
Published: July 2011

Background

The use of tumour necrosis factor (TNF) α in isolated limb perfusion (ILP) for in-transit melanoma metastasis is not uniformly accepted. This article reports the long-term results of adding TNF-α to standard melphalan-based ILP (TM-ILP) for treatment of melanoma in-transit metastases.

Methods

Data for patients treated between 1991 and 2005 were retrieved from a prospectively maintained database. Hyperthermic ILP was performed with 1–4 mg TNF-α. With a median potential follow-up of 13 years, response rates, time to local progression and disease-specific survival were analysed in relation to standard baseline factors.

Results

Some 118 TM-ILPs were analysed in 105 patients, 54 for stage IIIA, 50 for stage IIIAB and 14 for stage IV disease. The overall response rate was 93·2 per cent; the response was complete in 67·8 per cent and partial in 25·4 per cent. The response rate was significantly influenced by stage of disease (IIIA versus IIIAB; P = 0·006). The complete response was maintained until the end of follow-up in 35 patients (33·3 per cent), and local control was achieved with one additional intervention in 12 others (11·4 per cent). Local progression occurred after 66 ILPs (55·9 per cent). Number of in-transit metastases (P = 0·008) and complete response after ILP (P < 0·001) were strong prognostic factors for time to local progression. The 5-year disease-specific survival rate was 27·3 per cent; survival was positively influenced by age, stage of disease, previous ILP and complete response after ILP.

Conclusion

ILP with TNF-α may obtain long-term local control in selected patients with in-transit metastases from melanoma.
The Frataxin Homologue Fra Plays a Key Role in Intracellular Iron Channeling in Bacillus subtilis
Authors: Albrecht Alexander G. , Landmann Hannes , Nette David , Burghaus Olaf , Peuckert Florian , Seubert Andreas , Miethke Marcus , Marahiel Mohamed A.
Published: July 2011

Frataxin homologues are important iron chaperones in eukarya and prokarya. Using a native proteomics approach we were able to identify the structural frataxin homologue Fra (formerly YdhG) of Bacillus subtilis and to quantify its native iron‐binding stoichiometry. Using recombinant proteins we could show in vitro that Fra is able to transfer iron onto the B. subtilis SUF system for iron–sulfur cluster biosynthesis. In a four‐constituents reconstitution system (including SufU, SufS, Fra and CitB) we observed a Fra‐dependent formation of a [4 Fe–4 S] cluster on SufU that could be efficiently transferred onto the target apo‐aconitase (CitB). A Δfra deletion mutant showed a severe growth phenotype associated with a broadly disturbed iron homeostasis; this indicates that Fra is a central component of intracellular iron channeling in B. subtilis.
A Palladium‐Catalyzed Multicascade Reaction: Facile Low‐Temperature Hydrogenolysis of Activated Nitriles and Related Functional Groups
Authors: Yap Aaron J. , Chan Bun , Yuen Alexander K. L. , Ward Antony J. , Masters Anthony F. , Maschmeyer Thomas
Published: July 2011

The facile hydrogenolysis of various nitriles, imines, and amines over Pd/C has been achieved by using straightforward and relatively mild conditions. Substrates that contain an aryl group adjacent to the nitrogen‐containing functionality were hydrogenolyzed most effectively. The stabilization of the proposed η2‐coordinated palladium intermediate by this group was partly responsible for this observation and is borne out by ab initio calculations.
Rational Design of Microporous and Mesoporous Solids for Catalysis: From the Molecule to the Reactor
Authors: Louis Benoît , Laugel Guillaume , Pale Patrick , Pereira Marcelo Maciel
Published: July 2011

Zeolitic materials are the heterogeneous catalysts that have the highest annual production and are used in numerous acid‐catalyzed reactions. Nowadays, hydrocarbon transformations, such as cracking, alkylation, and isomerization, are preferably conducted using these environmentally friendly microporous solid acids. In the general shift from homogeneous towards heterogeneous catalysis, zeolites play a key role. The rational design of these inorganic materials with highly crystalline structure is warranted both in academic and in industrial research. A proper chemical composition, a hierarchical porosity, an appropriate crystal size have, therefore, to be combined with a proper shape at the reactor level.
Flow Characteristics of Gas Permeation through a PVF Porous Tube
Authors: Zhang X. W. , Hao P. F. , Yao Z. H.
Published: July 2011

PVF (polyvinyl formal) porous materials have attractive properties, such as noise attenuation, good structural integrity, thermal and chemical stability, high permeability and large specific surface area, for many flow‐through applications. Several characteristics of the porous material will have an impact on the permeability, and gas flow and diffusion. However, the shape and the design of the device may also have significant impact on the gas flow. A porous media model and Darcy‐Forchheimer principle were used as the basic theoretical frame. The unified governing equations were used to describe the compressible flow in and out of a PVF porous tube. A robust NND numerical scheme was used to discretize the equations and the TDBC (time‐dependent boundary conditions) were used to treat the nonreflective boundaries. Numerical simulations of an interior and exterior flow field of a PVF porous tube were completed. The detailed flow characteristics of the inner and outer flow fields of the tube were obtained. The velocity distribution of the outside of the tube compare very well with the experimental data.
Enhancement of Oily Wastewater Treatment by Ceramic Microfiltration Membranes using Powder Activated Carbon
Authors: Abbasi M. , Reza Sebzari M. , Mohammadi T.
Published: July 2011

Results of a hybrid microfiltration‐powdered activated carbon (MF‐PAC) system for the treatment of synthetic oily wastewaters with mullite and mullite‐alumina (50 % alumina content) ceramic membranes are presented. The experiments were conducted to determine the effects of the presence of PAC on MF process performance in terms of flux decline, membrane fouling, and total organic carbon (TOC) rejection. The experimental results demonstrate that PAC addition at low concentration (200–400 ppm) increases permeate flux by 19.6 % for mullite and 61 % for mullite‐alumina MF membranes. However, high PAC concentration (1200 ppm) decreases the permeate flux by 22 % for mullite and 25 % for mullite‐alumina MF membranes. Also, TOC rejection increases from 93.8 to 97.4 % for mullite and from 89.6 to 92.4 % for mullite‐alumina MF membranes.
Numerical Simulation of Dispersed Gas/Liquid Flows in Bubble Columns at High Phase Fractions using OpenFOAM®. Part I – Modeling Basics
Authors: Marschall H. , Mornhinweg R. , Kossmann A. , Oberhauser S. , Langbein K. , Hinrichsen O.
Published: July 2011

Various chemical products are synthesized in processes using gas/liquid reactors with bubbly flows. Hence, there is a significant interest in a more efficient process design as well as in process intensification with a strong focus on this reactor class. However, the design of industrial gas/liquid reactors requires more detailed information about the flow structures and characteristics of two‐ or multiphase systems. The basic models for two‐fluid model simulations of dispersed gas/liquid flows in bubble columns at high gas fractions are presented.
Four‐Coordinate Trispyrazolylboratomanganese and ‐iron Complexes with a Pyrazolato Co‐ligand: Syntheses and Properties as Oxidation Catalysts
Authors: Tietz Thomas , Limberg Christian , Stößer Reinhard , Ziemer Burkhard
Published: July 2011

A series of complexes of the type [(TpR1,R2)M(X)] (Tp=trispyrazolylborato) with R1/R2 combinations Me/tBu, Ph/Me, iPr/iPr, Me/Me and for M=Mn or Fe coordinating [PzMe,tBu]− (Pz=pyrazolato) or Cl− as co‐ligand X has been synthesised. Although the chloride complexes were very unreactive and stable in air, the pyrazolato series was far more reactive in contact with oxidants like O2 and tBuOOH. The [(TpR1,R2)M(PzMe,tBu)] complexes proved to be active pre‐catalysts for the oxidation of cyclohexene with tBuOOH, reaching turnover frequencies (TOFs) ranging between moderate and good in comparison to other manganese catalysts. Cyclohexene‐3‐one and cyclohexene‐3‐ol were always found to represent the main products, with cyclohexene oxide occasionally formed as a side product. The ratios of the different oxidation products varied with the reaction conditions: in the case of a peroxide/alkene ratio of 4:1, considerably more ketone than alcohol was obtained and cyclohexene oxide formation was almost negligible, whereas a ratio of 1:10 led to a significant increase of the alcohol proportion and to the formation of at least small amounts of the epoxide. Pre‐treatment of the dissolved [(TpR1,R2)M(PzMe,tBu)] pre‐catalysts with O2 led to product distributions and TOFs that were very similar to those found in the absence of O2, so that it may be argued that tBuOOH and O2 both lead to the same active species. The results of EPR spectroscopy and ESI‐MS suggest that the initial product of the reaction of [(TpMe,Me)Mn(PzMe,tBu)] with O2 contains a MnIII(O)2MnIV core. Prolonged exposure to O2 leads to a different dinuclear complex containing three O‐bridges and resulting in different TOFs/product distributions. Analogous findings were made for other complexes and formation of these overoxidised products may explain the deviation of the catalytic performances if the reactions are carried out in an O2 atmosphere.
Rapid computation of value and risk for derivatives portfolios
Authors: Weston Stephen , Spooner James , Racanière Sébastien , Mencer Oskar
Published: July 2011

We report new results from an on‐going project to accelerate derivatives computations. Our earlier work was focused on accelerating the valuation of credit derivatives. In this paper, we extend our work in two ways: by applying the same techniques, first, to accelerate the computation of portfolio level risk for credit derivatives and, second, to different asset classes using a different type of mathematical model, which together present challenges that are quite different to those dealt with in our earlier work. Specifically, we report acceleration over 270 times faster than a single Intel Core for a multi‐asset Monte Carlo model. We also explore the implications for risk. Copyright © 2011 John Wiley & Sons, Ltd.
Parallel pairwise statistical significance estimation of local sequence alignment using Message Passing Interface library
Authors: Agrawal Ankit , Misra Sanchit , Honbo Daniel , Choudhary Alok
Published: July 2011

Homology detection is a fundamental step in sequence analysis. In the recent years, pairwise statistical significance has emerged as a promising alternative to database statistical significance for homology detection. Although more accurate, currently it is much time consuming because it involves generating tens of hundreds of alignment scores to construct the empirical score distribution. This paper presents a parallel algorithm for pairwise statistical significance estimation, called MPIPairwiseStatSig, implemented in C using MPI library. We further apply the parallelization technique to estimate non‐conservative pairwise statistical significance using standard, sequence‐specific, and position‐specific substitution matrices, which has earlier demonstrated superior sequence comparison accuracy than original pairwise statistical significance. Distributing the most compute‐intensive portions of the pairwise statistical significance estimation procedure across multiple processors has been shown to result in near‐linear speed‐ups for the application. The MPIPairwiseStatSig program for pairwise statistical significance estimation is available for free academic use at www.cs.iastate.edu~ankitag/MPIPairwiseStatSig.html. Copyright © 2011 John Wiley & Sons, Ltd.
Can new optical techniques for in vivo imaging and flow cytometry of the microcirculation benefit sickle cell disease research?
Authors: Morgan Stephen P.
Published: July 2011

Intravital microscopy is a valuable tool for research into sickle cell disease with studies being carried out on transgenic mice and human volunteers. The method has helped to develop an explanation for sickle crises based on cell adhesion to the vascular endothelium followed by logjamming of rigid sickle cells and has stimulated much research into new treatments. In recent years there have been numerous new optical techniques developed for imaging the microcirculation and understanding the circulation of cells within the body, many of which have been further developed into in vivo flow cytometry techniques. This brief review highlights some of the progress made to date in the understanding of sickle cell disease using intravital microscopy. New techniques for imaging the microcirculation and their potential uses in understanding sickle cell disease are discussed. © 2011 International Society for Advancement of Cytometry
Basal levels of CD34 positive cells in peripheral blood differ between individuals and are stable for 18 months
Authors: Eidenschink Lisa , DiZerega Gere , Rodgers Kathy , Bartlett Mark , Wells Denise A. , Loken Michael R.
Published: July 2011

Background:

Detection of basal levels of CD34 progenitor cells is a rare event analysis enumerating cells down to 1 cell/μl. A reproducible analytic approach was used in three independent clinical trials in which multiple sequential assays were obtained from the same individual.

Methods:

A 4 color panel combining, HLA‐DR, CD34, CD45, and CD11b was used in a dual platform analysis to quantify CD34 progenitor cells in peripheral blood, with quality control focused at the lowest measurements (i.e., basal levels), where assay error is greatest.

Results:

Repeat testing of individuals every 4 h over the course of 6 days provided a unique opportunity to assess the precision of the analytic technique and identified basal differences between individuals. In a second study, the basal levels were stable for 10 weeks while in a third study the individual differences were maintained for 18 months. This approach was then used to monitor the kinetics of mobilization of CD34 cells following G‐CSF stimulation every 4 h.

Conclusions:

The differences between individuals in basal levels of CD34 were shown to be a biologic constant, stable for 18 months and not a result of the variability of the assay, shown by low coefficients of variation for each individual. These results can be used to augment a quality control program by monitoring individuals over time to establish intra and inter‐laboratory assay precision. In addition, the response of six individuals to G‐CSF demonstrated differences in absolute numbers of mobilized CD34 progenitor cells but showed identical kinetics, peaking at 80–110 h. © 2011 International Clinical Cytometry Society
MaxDiv: an optimal randomized spectrum access with maximum diversity scheme for cognitive radio networks
Authors: Xiao Xun , Liu Shucheng , Lu Kejie , Wang Jianping
Published: July 2011

Cognitive radio network (CRN) is an emerging technology that can increase the utilization of spectrum underutilized by primary users (PUs). In the literature, most exiting investigations on CRNs have focused on how secondary users (SUs) can coexist harmlessly with the PUs. Despite the importance of such a coexistence issue, it is also crucial to investigate the coexistence of SUs because (i) the PUs usually rarely use the licensed spectrum and (ii) the advantages of CRN will significantly increase the number of SUs in the future. To address this challenging issue, we propose, in this paper, an optimal randomized spectrum access scheme, whose main ideas include the following: (i) an SU shares its sensing results with neighboring SUs and (ii) with the regional sensing results, an SU will access available channels with a non‐uniform probability distribution. We first formulate a multichannel optimal randomized multiple access (MC‐ORMA) problem that aims to maximize the throughput of the CRN; we then develop efficient distributed algorithms to solve the MC‐ORMA problem; we derive the closed‐form value of collision probability for each SU; and finally, we conduct extensive numerical experiments and compare our theoretical analysis with simulation results to demonstrate the advantages of our scheme. Copyright © 2011 John Wiley & Sons, Ltd.
Psychometric evaluation of the eating disorder examination and eating disorder examination‐questionnaire: A systematic review of the literature
Authors: Berg Kelly C. , Peterson Carol B. , Frazier Patricia , Crow Scott J.
Published: July 2011

Objective:

The purpose of this study was to systematically review the reliability of scores on the Eating Disorder Examination (EDE) and the Eating Disorder Examination‐Questionnaire (EDE‐Q) and to examine the validity of their use as measures of eating disorder symptoms.

Method:

Articles describing the psychometric properties of the EDE and EDE‐Q were identified in a systematic search of major computer databases and a review of reference lists. Articles were selected based on a priori inclusion and exclusion criteria.

Results:

Fifteen studies were identified that examined the psychometrics of the EDE, whereas 10 studies were found that examined the psychometrics of the EDE‐Q.

Discussion:

Both instruments demonstrated reliability of scores. There is evidence that scores on the EDE and EDE‐Q correlate with scores on measures of similar constructs and support for using the instruments to distinguish between cases and non‐cases. Additional research is needed to broaden the generalizability of the findings. © 2011 by Wiley Periodicals, Inc. (Int J Eat Disord 2012;)
Predicting nonsuicidal self‐injury episodes over a discrete period of time in a sample of women diagnosed with bulimia nervosa: An analysis of self‐reported trait and ecological momentary assessment based affective lability and previous suicide attempts
Authors: Anestis Michael D. , Silva Caroline , Lavender Jason M , Crosby Ross D. , Wonderlich Stephen A. , Engel Scott G. , Joiner Thomas E.
Published: July 2011

Objective:

To examine the moderating effect of trait affective lability on the relationship between past suicidal behavior and future nonsuicidal self‐injury (NSSI).

Method:

A total of 127 adult females diagnosed with bulimia nervosa took part in this study. We hypothesized that individuals with greater levels of self‐reported trait affective lability and a greater number of past suicide attempts would engage in a greater number of NSSI episodes over the course of 2 weeks than would individuals lacking elevations in one or both of those variables, controlling for average level of negative affect and affective lability as measured through ecological momentary assessment (EMA).

Results:

The two‐way interaction of trait affective lability and past suicidal behavior predicted participants' number of NSSI episodes during the course of the study.

Discussion:

Interaction of self‐reported trait affective lability and past suicidal behavior may exhibit clinical utility in the prediction of patients' imminent risk of engaging in NSSI. © 2011 by Wiley Periodicals, Inc. (Int J Eat Disord 2012; 45:808–811)