bluuebunny/crossref_metadata_2025 huggingface dataset:
Sanitary sewer design using EPA storm water management model (SWMM)
Authors: Lowe Scott A.
Published: February 2009

Traditional sanitary sewer design uses detailed design tables that contain all the necessary information to complete the design. An alternative approach is to use modeling software, such as the EPA SWMM model. This paper details the application of the EPA SWMM model to design the sanitary sewer system of a proposed 62 lot development. Typically SWMM is thought of almost exclusively as a storm water system analysis tool, but this application shows how it can also be used for sanitary sewer analysis and design. The paper details how the SWMM model parameters were set to handle infiltration and inflow as well as base residential sanitary flows. © 2009 Wiley Periodicals, Inc. Comput Appl Eng Educ 18: 203–212, 2010; Published online in Wiley InterScience (www.interscience.wiley.com); DOI 10.1002/cae.20124
Application of the Perimeter Model to the Assignment of the Electronic Absorption Spectra of Gold(III) Hexaphyrins with [4n+2] and [4n] π‐Electron Systems
Authors: Muranaka Atsuya , Matsushita Osamu , Yoshida Kengo , Mori Shigeki , Suzuki Masaaki , Furuyama Taniyuki , Uchiyama Masanobu , Osuka Atsuhiro , Kobayashi Nagao
Published: February 2009

Expanded porphyrins: The electronic excited states of two forms of meso‐hexakis(pentafluorophenyl)‐substituted gold(III) hexaphyrin(1.1.1.1.1.1), such as that depicted, have been investigated by density functional calculations and magnetic circular dichroism spectroscopy to assign their low‐energy excited singlet states.

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The electronic excited states of two forms of meso‐hexakis(pentafluorophenyl)‐substituted gold(III) hexaphyrin(1.1.1.1.1.1) have been investigated by density functional calculations and magnetic circular dichroism (MCD) spectroscopy, in order to assign their low‐energy excited singlet states. We found that the perimeter model can be successfully applied to the interpretation of the electronic states. In the case of the neutral forms (Au2‐N, Au‐N), the absorption bands observed in the NIR and visible region can be assigned to π–π* transitions referred to as the L and B bands, respectively, analogous to the Q and Soret bands of regular porphyrins. In marked contrast with the neutral forms, the absorption bands of the reduced forms (Au2‐R and Au‐R) are attributed to π–π* transitions involving six frontier molecular π orbitals. By applying the 4N‐electron perimeter model, the six orbitals are labeled as h−, h+, s−, s+, l−, and l+, while the observed absorption bands can be assigned to the S, N1, N2, P1, and P2 transitions, in order of increasing energy.
Efforts towards the Identification of Simpler Platensimycin Analogues—The Total Synthesis of Oxazinidinyl Platensimycin
Authors: Wang Jingxin , Lee Vincent , Sintim Herman O.
Published: February 2009

Epimerization and stapling in one pot: A facile synthesis of an oxazinidinyl analogue of the antibiotic platensimycin is presented. Key steps of this work are a novel dynamic ring‐closing metathesis (RCM) that involves a base‐catalyzed epimerization followed by a tandem Ru‐catalyzed metathesis, and a nucleophilic addition to a ketone followed by a subsequent intramolecular epoxide ring‐opening reaction to construct the core structure of the target molecule (see scheme).

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CO2 and SnII Adducts of N‐Heterocyclic Carbenes as Delayed‐Action Catalysts for Polyurethane Synthesis
Authors: Bantu Bhasker , Pawar Gajanan Manohar , Decker Ulrich , Wurst Klaus , Schmidt Axel M. , Buchmeiser Michael R.
Published: February 2009

Catalytic rivals: Both CO2‐protected tetrahydropyrimidin‐2‐ylidene‐based N‐heterocyclic carbenes (NHCs) and SnII‐1,3‐dimesitylimidazol‐2‐ylidene, as well as SnII‐1,3‐dimesitylimidazolin‐2‐ylidene complexes (example displayed), have been identified as truly latent catalysts for polyurethane (PUR) synthesis rivaling all existing systems both in activity and latency.

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A series of CO2‐protected pyrimidin‐2‐ylidenes as well as 1,3‐dimesitylimidazol‐2‐ylidene and dimesitylimidazolin‐2‐ylidene complexes of SnII have been prepared. Selected single‐crystal X‐ray structures are reported. The new compounds were investigated for their catalytic behavior in polyurethane (PUR) synthesis. All compounds investigated showed excellent catalytic activity, rivaling the industrially most relevant catalyst dibutyltin dilaurate. Even more important, all compounds displayed pronounced latent behavior, in selected cases rivaling and exceeding the industrially relevant latent catalyst phenylmercury neodecanoate both in terms of latency and catalytic activity. This allows for creating one‐component PUR systems with improved pot lifetimes. Pseudo‐second‐order kinetics were found for both CO2‐protected tetrahyropyrimidin‐2‐ylidenes and for [SnCl2(1,3‐dimesityldihydroimidazol‐2‐ylidene)], indicating a fast pre‐catalyst decomposition prior to polyurethane formation. 1,3‐Di(2‐propyl)tetrahydropyrimidin‐2‐ylidene was additionally found to be active in the cyclotrimerization of various isocyanates, offering access to a broad variability in polymer structure, that is, creating both urethane and isocyanurate moieties within the same polymer.
Development of Novel Thiazolopyrimidines as CDC25B Phosphatase Inhibitors
Authors: Kolb Stéphanie , Mondésert Odile , Goddard Mary‐Lorène , Jullien Denis , Villoutreix Bruno O. , Ducommun Bernard , Garbay Christiane , Braud Emmanuelle
Published: February 2009

CDC25 inhibition by thiazolopyrimidines: CDC25 is an attractive target for cancer therapy, as it is overexpressed in numerous cancers and is often associated with tumor aggressiveness and poor prognosis. Based on an in silico/in vitro screen, we developed a series of thiazolopyrimidines to further improve inhibitory activity and cytotoxic properties.

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The development of CDC25 phosphatase inhibitors is an interesting approach toward new antitumor agents, as CDC25 play key roles in cell‐cycle regulation and are overexpressed in numerous cancers. We previously reported a novel compound belonging to the thiazolopyrimidine family that inhibits CDC25 activity with an IC50 value of 13 μM and displays cytotoxic properties against HeLa cells. Structural modifications were subsequently conducted on this new pharmacophore which led to a library of 45 thiazolopyrimidines. Regarding the in vitro effects, 14 compounds inhibit CDC25B with IC50<20 μM, with the most efficient inhibitor 44 improving the potency to 4.5 μM. Steady‐state kinetics were performed and showed a mixed inhibition pattern for all tested compounds. Furthermore, 44 was able to revert the bypass of genotoxicity‐induced G2 arrest upon CDC25B overexpression, indicating that this compound targets the dual‐specificity phosphatase in cultured cells. Finally, the cytotoxic activities of the compounds were determined against two human cancer cell lines. The results indicate that the prostatic LNCaP cell line is more sensitive to these derivatives than the pancreatic adenocarcinoma MiaPaCa‐2 line. With its interesting enzymatic and cellular properties, compound 44 appears to be a promising CDC25B inhibitor for further development.
p16INK4A immunohistochemical staining may be helpful in distinguishing branchial cleft cysts from cystic squamous cell carcinomas originating in the oropharynx
Authors: Pai Reetesh K. , Erickson Julianna , Pourmand Nader , Kong Christina S.
Published: February 2009

BACKGROUND:

We investigated p16INK4A expression in branchial cleft cysts and its utility in distinguishing branchial cleft cysts from metastatic head and neck squamous cell carcinomas (SCCs) in fine‐needle aspiration biopsies (FNABs).

METHODS:

A study set comprising 41 resections (15 SCC and 26 branchial cleft cysts) and a test set of 15 FNABs (11 SCC and 4 branchial cleft cysts) were analyzed with p16INK4A immunohistochemistry and human papillomavirus (HPV) polymerase chain reaction (PCR)/pyrosequencing. Cases with discrepant p16INK4A and PCR/pyrosequencing results were further evaluated with HPV in situ hybridization (ISH). SCCs were divided into keratinizing SCC and nonkeratinizing SCC groups and site of origin.

RESULTS:

Metastatic oropharyngeal nonkeratinizing SCC in the study set exhibited diffuse, strong p16INK4A (7 of 7) and HPV16 DNA positivity (6 of 6), while keratinizing SCC from the larynx and oral cavity was negative for p16INK4A. p16INK4A reactivity in the branchial cleft cyst study set was characterized by focal, strong staining (6 of 21) involving the superficial squamous epithelium. HPV DNA was identified in 7 of 19 branchial cleft cyst study set cases by PCR/pyrosequencing, but these cases were negative by HPV ISH. In the test set, oropharyngeal nonkeratinizing SCC exhibited diffuse, strong p16INK4A (3 of 3) and HPV16 DNA (2 of 2), while metastatic keratinizing SCC was negative for p16INK4A and HPV DNA. All 4 FNABs of branchial cleft cysts were negative for p16INK4A. Diffuse, strong p16INK4A correlated with oropharyngeal origin (P = .001) and nonkeratinizing morphology (P = .0001).

CONCLUSIONS:

Branchial cleft cysts can exhibit focal strong reactivity limited to the superficial squamous epithelium and glandular epithelium. Although p16INK4A immunohistochemistry may be helpful in distinguishing oropharyngeal nonkeratinizing SCC from branchial cleft cysts in FNAB specimens, it is not helpful in cases of keratinizing SCC because these cases are typically negative for p16INK4A. Cancer (Cancer Cytopathol) 2009. © 2009 American Cancer Society.
A technique to improve diagnostic information from fine‐needle aspirations
Authors: Skov Birgit Guldhammer , Kiss Katalin , Ramsted Julie , Linnemann Dorte
Published: February 2009

BACKGROUND:

Cytologic examination of fine‐needle aspiration (FNA) material is being used increasingly for the diagnosis of pulmonary lesions. Accurate distinction between nonsmall cell lung cancer (NSCLC), including subgroups, and small cell lung cancer and between primary lung cancer and metastases has therapeutic impact. However, the distinction between these groups may be difficult on smears. In this report, the authors describe a simple method, called cytoscrape (CS), which can be used on virtually any smear to produce material useful for ancillary methods, including immunohistochemistry.

METHODS:

Aspirates from 47 patients who had possible malignant infiltrates identified on computed tomography scans of the chest were included. Smears were stained by May‐Grunwald‐Giemsa and Diff‐Quick for diagnostic purposes. CS material was obtained by gently scraping cells off the slides. Clots were made, and the sections were stained for thyroid transcription factor‐1 (TTF‐1) and mucin. The utility of the CS technique was evaluated by assessing the sensitivity and specificity of the method and by quantifying the extra diagnostic information obtained by the method relative to smears alone.

RESULTS:

Malignant tumor cells in the CS material were identified in 43 aspirates (91%). Both the sensitivity and the specificity for TTF‐1 were 100%. The sensitivity for mucin was 60%, and the specificity for mucin was 100%. The diagnoses made on smears were improved by CS in 31 patients (72%), in that more precise separation of subgroups of NSCLC was possible or information on primary tumors was obtained.

CONCLUSIONS:

The CS technique improved the diagnostic information from FNA in a clinically relevant way. The method is simple, quick, and inexpensive. Cancer (Cancer Cytopathol) 2009. © 2009 American Cancer Society.
On web communities mining and recommendation
Authors: Zhang Yanchun , Xu Guandong
Published: February 2009

Because of the lack of a uniform schema for web documents and the sheer amount and dynamics of web data, both the effectiveness and the efficiency of information management and retrieval of web data are often unsatisfactory when using conventional data management and searching techniques. To address this issue, we have adopted web mining and web community analysis approaches. On the basis of the analysis of web document contents, hyperlinks analysis, user access logs and semantic analysis, we have developed various approaches or algorithms to construct and analyze web communities, and to make recommendations. This paper will introduce and discuss several approaches on web community mining and recommendation. Copyright © 2009 John Wiley & Sons, Ltd.
Causality information and proactive cancellation mechanisms
Authors: Chetlur Malolan , Wilsey Philip A.
Published: February 2009

Time Warp distributed simulations can enter a catastrophic state of cascading rollbacks where out of order (premature) event executions propagate faster than the corrective measures (anti‐messages) designed to terminate them. In this paper, a distributed, proactive cancellation mechanism designed to avoid this situation is presented. We also present a version of total clocks calledPlausible Total Clocks(PTC). PTC employs a compact time vector ofevent counter rangeto address the scalability issues typically suffered by total clock solutions. That is, PTC consists of constant size vectors and are independent of the number of simulation objects in the simulation. The events generated due to an out of order execution are proactively cancelled by determining its causality relation with the already annihilated events. We present a proof of correctness of the distributed cancellation mechanism using PTC and also show that the catastrophic states are avoided with this proactive cancellation mechanism. This cancellation mechanism assumes first‐input–first‐output communication layer, static inter‐connection topology, and logical processes consisting of multiple simulation objects. Copyright © 2009 John Wiley & Sons, Ltd.
A biologically inspired framework for multimedia service management in a ubiquitous environment
Authors: Hossain M. Shamim , Alamri A. , El Saddik Abdulmotaleb
Published: February 2009

This paper addresses several key issues in distributed multimedia services management and composition such as scalability, heterogeneity, and quality of service (QoS). The proposed framework introduces biologically inspired multimedia service management through the composition of basic multimedia services such as streaming services and different transcoding services. The biologically inspired approach is used for collecting the QoS requirements from individual transcoding services in order to select the most suitable services for the desired composition process. A prototype of the proposed framework is designed, implemented, and evaluated in terms of scalability and load balancing. Copyright © 2009 John Wiley & Sons, Ltd.
Increasing data reuse of sparse algebra codes on simultaneous multithreading architectures
Authors: Pichel J. C. , Heras D. B. , Cabaleiro J. C. , Rivera F. F.
Published: February 2009

In this paper the problem of the locality of sparse algebra codes on simultaneous multithreading (SMT) architectures is studied. In these kind of architectures many hardware structures are dynamically shared among the running threads. This puts a lot of stress on the memory hierarchy, and a poor locality, both inter‐thread and intra‐thread, may become a major bottleneck in the performance of a code. This behavior is even more pronounced when the code is irregular, which is the case of sparse matrix ones. Therefore, techniques that increase the locality of irregular codes on SMT architectures are important to achieve high performance. This paper proposes a data reordering technique specially tuned for these kind of architectures and codes. It is based on a locality model developed by the authors in previous works. The technique has been tested, first, using a simulator of a SMT architecture, and subsequently, on a real architecture as Intel's Hyper‐Threading. Important reductions in the number of cache misses have been achieved, even when the number of running threads grows. When applying the locality improvement technique, we also decrease the total execution time and improve the scalability of the code. Copyright © 2009 John Wiley & Sons, Ltd.
The HPC basic profile and SAGA: standardizing compute grid access in the open grid forum
Authors: Smith Chris , Kielmann Thilo , Newhouse Steven , Humphrey Marty
Published: February 2009

After seven years of life the Open Grid Forum (OGF), previously the Global Grid Forum, is beginning to produce standards that meet the needs of the community and that are being adopted by commercial and open source software providers. Accessing computational resources, specifically high performance computing (HPC) resources, is a usage scenario that predates the emergence of the Grid, is well understood within the community, and is represented in numerous gathered use cases in different areas of Grid computing. Building on this consensus the HPC Profile Working Group was established within the OGF to standardize access to HPC resources. Its first specification, the HPC Basic Profile 1.0 has been developed and has established interoperability within the community. Alongside the development of this protocol, another group within the OGF, the Simple API for Grid Applications (SAGA) working group has been defining a programmatic interface relevant to application developers that encompasses access to compute resources. This paper examines the relationship between the ‘standard’ protocol of the HPC Basic Profile and the programmatic interface of SAGA to access compute resources and assesses how well these address the problems faced by the community of users and application developers. Copyright © 2009 John Wiley & Sons, Ltd.
Polymorphism and Phonon Dynamics of α‐Quaterthiophene
Authors: Ranzieri Paolo , Girlando Alberto , Tavazzi Silvia , Campione Marcello , Raimondo Luisa , Bilotti Ivano , Brillante Aldo , Della Valle Raffaele G. , Venuti Elisabetta
Published: February 2009

Two 4T: Low‐frequency micro‐Raman spectroscopy coupled with lattice dynamics calculations is an invaluable tool for investigating polymorphism in organic semiconductors. The Raman spectra of the low‐temperature (LT) and high‐temperature (HT) polymorphs of α‐quaterthiophene (4T) are presented and interpreted (see picture). Raman mapping is applied to investigate the phase purity.

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Low‐frequency (10–150 cm−1) Raman spectra of the low‐temperature (LT) and high‐temperature (HT) polymorphs of the organic semiconductor α‐quaterthiophene at 300 and 10 K are reported. Polarized spectra, assisted by quasi‐harmonic lattice dynamics (QHLD) calculations, allow characterization of the lattice phonon dynamics and identification of the two phases spectroscopically. The experimental data can be explained by taking into account the coupling between intermolecular (lattice) and low‐frequency intramolecular modes. Finally, Raman mapping is used to investigate the phase purity.
Adduct Formation of Dichloridodioxidomolybdenum(VI) and Methyltrioxidorhenium(VII) with a Series of Bidentate Nitrogen Donor Ligands
Authors: Al‐Ajlouni Ahmad M. , Günyar Alev , Zhou Ming‐Dong , Baxter Paul N. W. , Kühn Fritz E.
Published: February 2009

The stability of a variety of bidentate N‐base adducts of MoO2Cl2 and (CH3)ReO3 (MTO) was investigated in thf and CH2Cl2 as solvents. The formation constants were determined from the spectrophotometric data based on 1:1 adduct formation. The adduct formation constants for [MoO2Cl2L2] (L2 = bidentate nitrogen ligand) are 104–106 times higher than those for [(CH3)ReO3L2] with the same ligands under the same conditions. The adduct stability of both systems is very sensitive to the electronic nature of the ligands and increases with their donor ability. Hammett correlations of the formation constants against σ give relatively large negative values for the reaction constants (ρRe = –5.9, ρMo = –6.6). The stability is also governed by steric and strain factors. Thus, sterically hindered 6,6′‐disubstituted‐2,2′‐bipyridines do not form adducts with MTO, and only 6,6′‐dimethyl‐ and 6,6′‐diphenyl‐2,2′‐bipyridines form adducts with MoO2Cl2. However, these adducts are much less stable than other methyl derivatives of 2,2′‐bipridine adducts. The steric strain between the two methyl groups in 3,3‐dimethyl‐2,2′‐bipyridine influences the bipyridine planarity upon complexation and reduces the adduct stability. The thermodynamic parameters (enthalpy and entropy) were determined from temperature‐dependence studies. The adduct stability is mainly due to the strongly exothermic binding of the nitrogen‐bidentate ligand. The entropy change is small and has little effect on adduct stability.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Single‐Crystal Structure Determination and Solid‐State NMR Investigations of Lithium Nitridosilicate Li2SiN2 Synthesized by a Precursor Approach Employing Amorphous “Si(CN2)2”
Authors: Pagano Sandro , Zeuner Martin , Hug Stephan , Schnick Wolfgang
Published: February 2009

Amorphous silicon bis(carbodiimide) “Si(CN2)2” has been identified as a reactive precursor for the synthesis of nitridosilicates that is specifically useful in the temperature region below 1000 °C. In this context the applicability and reactivity of amorphous “Si(CN2)2” towards Li3N in comparison to silicon diimide Si(NH)2 has been studied using high‐temperature in situ powder diffraction and DSC measurements. During the current investigation single crystals of Li2SiN2 have been obtained and the crystal structure of this Li+ ion conductor has been determined and refined: [Pbca, no. 61, a = 9.907(2), b = 9.907(2), c = 15.014(3) Å, Z = 32, R1 = 0.038, 1460 data, 142 parameters]. In the solid, Li2SiN2 consists of two interpenetrating cristobalite type nets which are made up from hetero‐adamantane‐like [Si4N6]N4/2 groups. The eight crystallographically independent Li+ sites are ordered at room temp. and exhibit coordination numbers 3 to 5. The 7Li and 29Si solid‐state MAS NMR spectra of Li2SiN2 are reported. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
“One‐Pot” Ion‐Exchange and Mesopore Formation During Desilication
Authors: Holm Martin Spangsberg , Hansen Martin Kalmar , Christensen Claus Hviid
Published: February 2009

A desilication protocol using tetramethylammonium hydroxide was applied to zeolite beta. The new route presented here integrates the desilication and ion‐exchange post‐treatment steps allowing for a subsequent ion‐exchange step to be avoided. It is shown that the acidic and highly mesoporous zeolite is obtained directly upon calcination. Thus, careful choice of base and post‐treatment conditions lead to the fabrication of a hierarchical meso‐ and microporous structure with completely retained crystallinity.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Bridging Vinyliminium‐ and Enaminoalkylidenediiron Complexes as Organometallic Ligands
Authors: Busetto Luigi , Marchetti Fabio , Mazzoni Rita , Salmi Mauro , Zacchini Stefano , Zanotti Valerio
Published: February 2009

The SPh‐functionalized vinyliminium complexes [Fe2{μ‐η1:η3‐Cγ(R′)=Cβ(SPh)Cα=N(Me)(R)}(μ‐CO)(CO)(Cp)2][SO3CF3](R = Xyl, R′ = Me, 3a; R = R′ = Me, 3b; R = Xyl, R′ = CH2OH, 3c; R = Me, R′ = CH2OH, 3d; Xyl = 2,6‐Me2C6H3; Cp = η5C5H5) react with NaBH4, in thf solution, to afford the corresponding μ‐vinylalkylidene complexes [Fe2{μ‐η1:η3‐Cγ(R′)Cβ(SPh)=Cα(H)N(Me)(R)}(μ‐CO)(CO)(Cp)2] (5a–d). This reaction transforms the iminium into an amine group, thereby generating an N‐donor functionality. Consequently, the bridging organic framework in 5a–d, which contains S and N donor atoms, can act as an ambidentate ligand toward coordinatively unsaturated metal fragments. In particular, the complexes [Fe2{μ‐η1:η3‐Cγ(R′)Cβ(SPh)=Cα(H)NMe2}(μ‐CO)(CO)(Cp)2] (R′ = Me, 5b; R′ = CH2OH, 5d) react with [PdCl2(CH3CN)2] to give [PdCl2(N,S‐5b)] (6a) and [PdCl2(N,S‐5d)] (6b), respectively. The molecular structure of 6b has been determined by X‐ray diffractometry. In an analogous reaction, compound 5d acts as an “organometallic ligand” for the unsaturated rhodium fragment generated upon treatment of [Rh(NBD)Cl]2 (NBD = norbornadiene) with AgClO4. This reaction affords the trinuclear complex [Rh(NBD)(κ2‐N,S‐5d)][ClO4] (7). The bridging ligand in the zwitterionic complex [Fe2{μ‐η1:η3‐Cγ(CH2OH)=Cβ(S)Cα=N(Me)(Xyl)}(μ‐CO)(CO)(Cp)2] (2a) contains an OH group in addition to the N and S functionalities. This bridging framework acts as a O,S bidentate ligand and the reaction of 2a with [Ti(Cp)2(CH3CN)2](SO3CF3)2 leads to the formation of the adduct [Ti(Cp)2(κ2‐O,S‐2a)][SO3CF3]2 (8). (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Stereocontrolled Preparation of Fully Substituted Cyclopentanes: Relevance to Total Synthesis
Authors: Heasley Brian
Published: February 2009

This Microreview aims to identify important advances in the asymmetric synthesis of fully substituted five‐membered carbocyclic ring systems. Recent efforts directed towards the intricate and densely functionalized core substructures of three distinct classes of cyclopentane‐based natural products will be examined. Strategies featuring high levels of stereocontrol and/or conciseness in the total number of synthetic steps required to access complex natural product ring fragments are highlighted. Stereoselective Diels–Alder cycloaddition approaches to access functionalized norbornene intermediates as latent chiral cyclopentanes in the tradition of Corey's elegant prostaglandin studies are a recurring theme. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Peripheral Functionalization of Subphthalocyanines
Authors: González‐Rodríguez David , Torres Tomás
Published: February 2009

The optimization of synthetic methodologies that lead to novel synthetically and electronically valuable SubPc molecules is of great interest for the use of these molecules in applied fields. In this work, we describe some useful procedures for the incorporation of diverse functional groups in the periphery of the SubPc macrocycle. Different metal‐catalyzed cross‐coupling reactions, including Stille or Suzuki couplings and palladium‐catalyzed borylation or amination reactions, have been optimized in order to obtain high yields and avoid SubPc decomposition. In addition, we report on the scope of the use of ether functionalities in the condensation reaction with BCl3 and on the synthesis of a trihydroxySubPc, a very valuable compound that could be obtained by deprotection of a silyloxy‐SubPc precursor. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Facile Synthesis and Structure of Novel 2,5‐Disubstituted 1,3,4‐Selenadiazoles
Authors: Hua Guoxiong , Li Yang , Fuller Amy L. , Slawin Alexandra M. Z. , Woollins J. Derek
Published: February 2009

The reaction of hydrazide with carbonyl chloride in the presence of sodium carbonates leads to the corresponding 1,2‐diacylhydrazines [1a–t, R1C(O)NHNHC(O)R2, R1= aryl, R2= aryl or alkyl] in moderate to excellent yield (57–90 %). The latter reacts with 2,4‐diphenyl‐1,3‐diselenadiphosphetane‐2,4‐diselenide (Woollins' reagent,WR) in refluxing toluene to give a series of new 2,5‐disubstituted 1,3,4‐selenadiazoles (2a–t, 51–99 % yield). All compounds were characterized spectroscopically and six compounds were characterized crystallographically. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Subthreshold depression in Parkinson's disease
Authors: Nation Daniel A. , Katzen Heather L. , Papapetropoulos Spyridon , Scanlon Blake K. , Levin Bonnie E.
Published: February 2009

Objective

It is estimated that 40% of patients with Parkinson's disease (PD) are clinically depressed, however, little is known about the frequency and associated features of subthreshold depression in PD. The current study sought to determine the prevalence of subthreshold depression (sD) and to further characterize the associated features in a sample of 111 nondemented patients with moderate to severe PD.

Methods

Patients were classified into the following groups: diagnostic depression (DD), subthreshold depression (sD), or nondepressed (ND) by applying the Diagnostic and Statistical Manual, 4th edn criteria for depression and previously reported criteria for sD to items from the Beck Depression Inventory, 2nd edn. These groups were compared on clinical and demographic variables. The symptom profile of the sD group is also described.

Results

Fifty participants (45.0%) were classified as ND, 32 (28.8%) as sD, and 29 (26.1%) as DD. Patients with sD were younger (∼5 yrs) than nondepressed patients, but did not differ in disease stage or any other demographic variables. Patients with sD tended to endorse mood symptoms that overlap with PD, including fatigue, sleep difficulties, appetite dysfunction, and concentration difficulties. These symptoms were also endorsed with high frequency by the other groups.

Conclusions

These findings suggest that sD is not uncommon in PD and may be more prevalent among younger patients. The finding that sD patients report mood symptoms that overlap with the PD symptomatology suggests that these two entities share common features and may be difficult to disentangle. Copyright © 2009 John Wiley & Sons, Ltd.
Nutritional model of steatohepatitis and metabolic syndrome in the Ossabaw miniature swine #
Authors: Lee Lydia , Alloosh Mouhamad , Saxena Romil , Van Alstine William , Watkins Bruce A. , Klaunig James E. , Sturek Michael , Chalasani Naga
Published: February 2009

Miniature pigs residing in the Ossabaw Island (Ossabaw pigs) exhibit a thrifty genotype, and when fed a high-calorie diet they consistently develop metabolic syndrome defined by obesity, insulin resistance, hypertension, and dyslipidemia. We conducted a study to induce steatohepatitis in Ossabaw pigs by dietary manipulation. Pigs were fed standard chow (controls, n = 15), high-fructose diet (20% kcal from fructose and 10.5% kcal from fat) (fructose group, n = 9), atherogenic diet (20% kcal from fructose and 46% kcal from fat and 2% cholesterol and 0.7% cholate by weight) (atherogenic diet group, n = 13), and modified atherogenic diet (different source of fat and higher protein but lower choline content) (M-Ath diet group, n = 7). All animals were sacrificed at 24 weeks after dietary intervention. The high-fructose group had significant weight gain, hypertension, and insulin resistance but showed normal liver histology. The atherogenic diet group had metabolic syndrome and abnormal liver histology consisting of significant microvesicular steatosis and fatty Kupffer cells but no ballooning or fibrosis. The M-Ath diet group developed severe metabolic syndrome and markedly abnormal liver histology with macrovesicular and microvesicular steatosis, fatty Kupffer cells, extensive hepatocyte ballooning, and pericellular/perisinusoidal fibrosis. Compared with controls, the M-Ath diet group had significantly lower serum adiponectin but higher serum leptin and tumor necrosis factor (TNF) levels and higher hepatic triglyceride and malondialdehyde levels. Conclusion: Ossabaw pigs fed a modified atherogenic diet develop severe metabolic syndrome and abnormal liver histology with close resemblance to human nonalcoholic steatohepatitis (NASH). (Hepatology 2009.)
Development of a 3D collagen scaffold coated with multiwalled carbon nanotubes
Authors: Hirata Eri , Uo Motohiro , Takita Hiroko , Akasaka Tsukasa , Watari Fumio , Yokoyama Atsuro
Published: February 2009

Carbon nanotubes (CNTs) have attractive biochemical properties such as strong cell adhesion and protein absorption, which are very useful for a cell cultivation scaffold. In this study, we prepared a multiwalled carbon nanotube‐coated collagen sponge (MWCNT‐coated sponge) to improve the surface properties of the collagen sponge, and its cell culturing properties were examined. The suface of the collagen sponge was homogeneously coated with MWCNTs by dispersion. MC3T3‐E1 cells were cultured on and inside the MWCNT‐coated sponge. The DNA content on the MWCNT‐coated sponge after 1 week of culture was significantly higher than on an uncoated collagen sponge (p < 0.05). There was no significant difference between the estimated ALP activity normalized by DNA quantity on the MWCNT‐coated sponge and that on the uncoated collagen sponge which is well known as one of the best scaffolds for cell cultivation. In addition, the MWCNT‐coated surface shows strong cell adhesion. Therefore, the MWCNT‐coated collagen sponge is expected to be a useful 3D scaffold for cell cultivation. © 2009 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2009
Modeling solvent evaporation during the manufacture of controlled drug‐release coatings and the impact on release kinetics
Authors: Kim Chang‐Soo , Saylor David M. , McDermott Martin K. , Patwardhan Dinesh V. , Warren James A.
Published: February 2009

To improve functionality and performance, controlled drug‐release coatings comprised of drug and polymer are integrated with traditional medical devices, e.g., drug eluting stents. Depending on manufacturing conditions, these coatings can exhibit complex microstructures. Previously, a thermodynamically consistent model was developed for microstructure evolution in these systems to establish relationships between process variables, microstructure, and the subsequent release kinetics. Calculations based on the model were, in general, consistent with experimental findings. However, because of assumptions regarding the evaporation of solvent during fabrication, the model was unable to capture variations through the coating thickness that are observed experimentally. Here, a straightforward method is introduced to incorporate solvent evaporation explicitly into the model. Calculations are used to probe the impact of solvent evaporation rate and drug loading on the microstructure that forms during manufacturing and subsequent drug release kinetics. The predicted structures and release kinetics are found to be consistent with experimental observations. Further, the calculations demonstrate that solvent evaporation rate can be as critical to device performance as the amount of drug within the coating. For example, changes of a factor of five in the amount of drug released were observed by modifying the rate of solvent evaporation during manufacturing. © 2009 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2009
Comparison of 3‐dimensional with 2‐dimensional saline infusion sonohysterograms for the evaluation of intrauterine abnormalities
Authors: Terry Stephanie , Banks Erika , Harris Kemoy , Duvivier Roger , Dar Pe'er
Published: February 2009

Objective.

To compare 3‐dimensional saline infusion sonohysterography (3DSIS) with 2‐dimensional sonohysterography (2DSIS) using hysteroscopy and histologic diagnosis as the gold standard.

Method.

A retrospective analysis of all SIS examination performed between July 1, 2005 and April 30, 2007 in our gynecological sonographic unit. 2DSIS or 3DSIS sonographic techniques were used randomly. Management decisions and operative procedures were done by the referring provider. Patients that had diagnostic hysteroscopy and complete histologic evaluation were included. Concordance between the various assessment methods as well as sensitivity and specificity were compared between 2DSIS and 3DSIS. Student's t test and chi‐square test were used for statistical analysis. p < 0.05 was considered statistically significant.

Result.

Of 804 patients that had SIS, 125 patients met the inclusion criteria. Patient median age was 48 (range 19–82). Also, 77 patients were premenopausal, and 48 patients were postmenopausal. Furthermore, 43 patients had 2DSIS and 82 patients had 3DSIS. 3DSIS was found to correlate with hysteroscopic findings more often than 2DSIS (p < 0.05). A trend for higher specificity of 3DSIS with the different uterine pathologies was seen, but it did not reach statistical significance. No difference in sensitivity of 3DSIS compared with 2DSIS was found for all pathologic diagnoses.

Conclusion.

3DSIS correlated better with hysteroscopy than 2DSIS. Specificity for histologic diagnosis appears to be higher with 3DSIS compared with 2DSIS but larger‐scale studies are needed to confirm this finding. © 2009 Wiley Periodicals, Inc. J Clin Ultrasound 2009
Synthetic strategies of nonpeptidic β‐secretase (BACE1) inhibitors
Authors: La Regina Giuseppe , Piscitelli Francesco , Silvestri Romano
Published: February 2009

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J. Heterocyclic Chem., 46, 10 (2009).
Efficient synthesis of 1,2,4‐triazolo[4,3‐a][1,8]naphthyridines under microwave irradiation
Authors: Mogilaiah K. , Swamy T. Kumara , Kumar K. Shiva
Published: February 2009

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A simple and highly efficient procedure has been described for the synthesis of 6‐aryl‐9‐(4‐phenoxphenyl)‐1,2,4‐triazolo [4,3‐a] [1,8] napthyridines (4) by the oxidation of 4‐phenoxybenzaldehyde 3‐aryl‐1,8‐naphthyridin‐2‐ylhydrazones (3) with chloramines‐T in methanol under microwave irradiation. The products were obtained in very good yields and excellent purities. J. Heterocyclic Chem., 46, 124 (2009).
Functionalization of benzo[c,d]indole system for the synthesis of visible and near‐infrared dyes
Authors: Henary Maged , Mojzych Mariusz , Say Martial , Strekowski Lucjan
Published: February 2009

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A number of benzo[c,d]indolium derivatives have been synthesized. J. Heterocyclic Chem., 46, 84 (2009).
High‐pressure Raman spectra of deuterated L‐alanine crystal
Authors: Gonçalves R. O. , Freire P. T. C. , Bordallo H. N. , Lima J. A. , Melo F. E. A. , Filho J. Mendes , Argyriou D. N. , Lima R. J. C.
Published: February 2009

Raman spectra of deuterated L‐alanine have been obtained at high‐pressure conditions. A phase transition at ∼1.5 GPa associated with the splitting of some internal modes and increase of the wavenumber of the external modes was observed. Similarly to the hydrogenated L‐alanine crystal, this first transition was related to a symmetry change. Moreover, further modifications of the Raman spectra were observed at 4.4 GPa, which may be associated to conformational changes of the molecule. To give further support to such a hypothesis, neutron powder diffraction measurements were performed. Information about the cell parameter at atmospheric pressure gave valuable information about the ND distances, shedding light on the behavior of the torsional vibration of ND3+. Copyright © 2009 John Wiley & Sons, Ltd.
Theory of coherent anti‐Stokes Raman scattering for mesoscopic particle with complex molecules: angular‐dependent spectrum
Authors: Raymond Ooi C. H.
Published: February 2009

We present a microscopic theory of nonlinear scattering of mesoscopic particle that may be composed of complex molecules. We predict that the spectrum of the scattered field depends on the angle of observation. Transform theory is used to compute the third‐order susceptibility for coherent anti‐Stokes Raman scattering (CARS) of molecules with known absorption spectrum and vibrational modes. By incorporating the theory into an integral scattering formula, we develop a rigorous theory which leads to powerful numerical experimentation of nonlinear optical process in mesoscopic systems composed of complex molecules and driven by laser pulses with arbitrary shape and spectral content. We obtain an expression for spectral dependent CARS field which includes multiple internal reflection and refraction of the incident fields via Mie theory. The theory is used to study the variations of the CARS spectra and intensity on laser parameters and direction of detection. High‐resolution spectra computed for hybrid CARS scheme shows that the relative intensities of the characteristic peaks in the CARS spectrum depend on the direction of detection. This effect can be explained by the interference between the linear response (absorption and dispersion) and the four‐wave mixing process in the mesoscopic medium. The theory is useful for nonlinear spectroscopy, microscopy and nanophotonics involving small particles. Copyright © 2009 John Wiley & Sons, Ltd.
Surface enhanced Raman scattering of nano diamond using visible‐light‐activated TiO2 as a catalyst to photo‐reduce nano‐structured silver from AgNO3 as SERS‐active substrate
Authors: Hong Z.‐C. , Perevedentseva E. , Treschev S. , Wang J.‐B. , Cheng C.‐L.
Published: February 2009

In this work, we demonstrate nano‐structured silver particles photo‐reduced from silver nitride (AgNO3) solution using visible‐light‐activated titanium dioxide (TiO2), which can be a convenient and effective substrate for surface enhanced Raman spectroscopy (SERS) observation. Visible‐light‐activated carbon‐containing TiO2 nanoparticles are applied to photo‐reduce and form nano‐structured silver from AgNO3 upon visible‐light illumination. Photo‐reduced nano‐structured silver is used as an active substrate for SERS studies of TiO2 as well as nano diamond and TiO2. The photo reduction of AgNO3 and SERS observation can be obtained by simultaneously using the same visible laser excitation. The coexistence of the anatase phase with small admixture of the rutile phase in the TiO2 can be observed using SERS. The carbon structure in the carbon‐containing TiO2 was determined to be sp2 type carbon bonding by SERS. Copyright © 2009 John Wiley & Sons, Ltd.
Finite element model for the simulation of skeletal muscle fatigue
Authors: Böl M. , Pipetz A. , Reese S.
Published: February 2009

In the present paper a new approach for the modelling of fatigue effects in skeletal muscle is proposed. This concept is micromechanically motivated. It incorporates the intramuscular connective tissue (passive part of the material) which surrounds the contractile muscle fibres (active part of the material). By sustaining a certain force level, these fibres show fatigue effects, expressed by a decrease of the retentive force. To incorporate such effects in a finite element framework we use a fatigue model that allows us to describe the dynamical processes between active, fatigued and recovered fibres. The chosen modelling strategy facilitates the efficient transport of the known information about physiological processes in the fibre to the three‐dimensional macroscopic level where e.g. the dependence of muscle contraction on fatigue effects is studied. Besides the theoretical derivation of the modelling approach, simulations at fibre level as well as at muscle level (for idealised and non‐idealised muscle geometries) are investigated. The paper closes with a qualitative comparison of the model with experimental data.
Influence of different surface machining treatments of resorbable magnesium alloy implants on degradation – EDX‐analysis and histology results
Authors: von der Höh N. , von Rechenberg B. , Bormann D. , Lucas A. , Meyer‐Lindenberg A.
Published: February 2009

The surface of cylindrical MgCa0.8 implants were differently machined which leads to smooth implants, sandblasted and threaded cylinders. 16 implants of each group were implanted into the medial femoral condylus of New Zealand White rabbits (totally n = 48). Each half of the implants remained for three and six months, respectively. After euthanasia 5 μm thin slices were produced, stained and evaluated through a semi quantitative scoring. Two specimen of each surface were used for EDX‐analysis. Specified areas were examined for the appearance of predetermined elements. The EDX‐analysis showed phosphorus in the edge layer of the implants. It appeared at all surface varieties. Magnesium could be found in the bone near the implants. It decreased with increasing distance to the implant site. The appearance of phosphorus indicates a possible new bone formation in the periphery of the implants. This also points to a good biocompatibility and a possible osteoinductive tendency.

All bone preparations developed a fibrotic layer around the implant. It was strongest in sandblasted implants. The layer decreased from three to six months. Within the layer macrophages appeared most frequently at both defined times. They contained ingested implant material. Lymphocytes, plasma cells and foreign body cells appeared most frequently in sandblasted implants at both points in time. After six months, foreign body cells occurred exclusively at sandblasted implants.
Traditional and non‐traditional knowledge management in research and practice
Authors: Jin Tao , Bouthillier France , Bowen Buff , Boettger Skip , Montgomery Mark , Pillania Rajesh , Swain Deborah
Published: February 2009

Why do many corporate and government clients refuse to set up collaborative, knowledge management tools? Looking at innovation in academia and business, this panel will address the use of knowledge management to enable in‐depth intelligence work, distributed collaboration, social computing, and information sharing in organizations. The panelists, who have both academic and business backgrounds, will discuss new approaches to KM based on recent information science and technology research. They plan to show how taxonomies, indexes, web interfaces, and social networking theories can be analyzed and applied in workplace environments. The presentations may challenge academic information scientists and knowledge management theorists, but each panelist will provide data and case studies to support the methods used in the application of theories. Presentations also will include live demonstrations of current tools. During demos there will be interactive audience participation, in addition to Q&A opportunities. The audience will be encouraged to challenge panelists' approaches and to test the findings and discoveries presented.
Everyday classification on large government and NGO websites
Authors: Busch Joseph , Fagan Susan , Gheriss Farah , Kwasnik Barbara , LaBarre Kathryn
Published: February 2009

This session is about everyday classification‐specifically how public information is categorized to make it findable on large government and NGO websites. The panel includes representatives from three major public agencies who will discuss how the categorization schemes used on their website were developed, how the site activity is monitored to see how the schemes perform, and how the schemes are modified in response to user activity or agency initiatives. Classification researchers will react to these methods by observing how established classification best practices are being followed or not in these real world applications, what applicable practices are not being followed, and whether current classification instruction is preparing people with the skills to do this work.
Speed meeting: A special session to introduce academics and professionals to each other in person and via web cast
Authors: Swain Deborah E. , Pullium Beatrice , Liberman Kris , Rogers Anne , Barreau Deborah , Hersberger Julie , Faust Leona , Exner Frank , Hall Deanna
Published: February 2009

The opportunity for companies with universities to create joint ventures is growing with a recent focus on short‐term projects – not mergers. How can those involved in research and practice meet‐especially graduate student researchers seeking collaborative university, corporate or government partners? Also, according to Wired magazine (April, 2007), there is a new emphasis on transparency and sharing across companies‐beyond competitive intelligence. Such change is leading to increased knowledge sharing across corporate boundaries. Can information professionals share safely ideas, not secrets, and find partners for short‐term development? Information technology companies seem less interested in formal mergers than in cooperative ventures (Apple with Google, for example).

Companies and schools invited to send representatives include:

M (St Paul, Minnesota)

Invitrogen Corporation (Milwaukee, WI)

Pierce Milwaukee (Milwaukee, WI)

Amylin Pharmaceuticals, Inc. (Milwaukee, WI)

Covance (Madison, WI)

University of Wisconsin‐Milwaukee

University of Wisconsin‐Madison