bluuebunny/crossref_metadata_2025 huggingface dataset:
Shape variation of the neural arch in the thoracic and lumbar spine: Characterization and relationship with the vertebral body shape
Authors: Masharawi Y. , Salame K.
Published: May 2011

Quantifying the human vertebral geometry is important for accurate medical procedures. We aimed to characterize the neural arch (NA) shape at T1‐L5. All T1‐L5 dry vertebrae (N = 4,080) of 240 individuals were measured and analyzed by age, gender, and ethnicity. A 3D digitizer was used to measure the dimensions of the spinous (SP) and transverse (TP) processes, vertebral canal (VC), laminae, and isthmus. Most parameters were independent of age and ethnicity, yet greater in males than in females. Isthmus length increases from T1 (9.8 mm) to T12 (19.87 mm) and decreases from T12 to L5 (9.68 mm) with right > left in the thorax and oppositely in the lumbar region. The SP is longer than its thickness both decreasing in the upper thorax (by ca. 4mm), increasing in the lower thoracic and upper lumbar vertebrae (by 7 mm for length and ca. 14.5 mm for thickness) and decreasing again along the lower lumbar vertebrae (both by 8 mm). The TP length decreases at T1‐T12 (by 13 mm) and increases at L1‐L5 with left > right at T1‐L5 (P < 0.003). The laminar length decreases from T1 (8.72 mm) through T5 (4.76 mm) and increases toward L5 (8.4 mm) with right > left at T1‐L5 (P < 0.003). The VC is oval‐shaped at T1 and T11‐L5 (width > length), rounded‐shape at T2 and T10 (width = length), and inverted oval‐shaped at T3‐T9 (length > width). In conclusion, the NA is systematically asymmetrical and dynamic in shape along the thoracic and lumbar spine. The inter‐relationship with the vertebral body and articular facets is discussed. Clin. Anat. 24:858–867, 2011. © 2011 Wiley‐Liss, Inc.
A massively parallel computational electrophysiology model of the heart
Authors: Vázquez M. , Arís R. , Houzeaux G. , Aubry R. , Villar P. , Garcia‐Barnés J. , Gil D. , Carreras F.
Published: May 2011

This paper presents a patient‐sensitive simulation strategy capable of using the most efficient way the high‐performance computational resources. The proposed strategy directly involves three different players: Computational Mechanics Scientists (CMS), Image Processing Scientists and Cardiologists, each one mastering its own expertise area within the project. This paper describes the general integrative scheme but focusing on the CMS side presents a massively parallel implementation of computational electrophysiology applied to cardiac tissue simulation. The paper covers different angles of the computational problem: equations, numerical issues, the algorithm and parallel implementation. The proposed methodology is illustrated with numerical simulations testing all the different possibilities, ranging from small domains up to very large ones. A key issue is the almost ideal scalability not only for large and complex problems but also for medium‐size meshes. The explicit formulation is particularly well suited for solving this highly transient problems, with very short time‐scale. Copyright © 2011 John Wiley & Sons, Ltd.
Accelerating climate and weather simulations through hybrid computing
Authors: Zhou Shujia , Cruz Carlos , Duffy Daniel , Tucker Robert , Purcell Mark
Published: May 2011

Unconventional multi‐ and many‐core processors (e.g. IBM ® Cell B.E. TM and NVIDIA ® GPU) have emerged as effective accelerators in trial climate and weather simulations. Yet these climate and weather models typically run on parallel computers with conventional processors (e.g. Intel ®, AMD ®, and IBM) using Message Passing Interface. To address challenges involved in efficiently and easily connecting accelerators to parallel computers, we investigated using IBM's Dynamic Application Virtualization TM (IBM DAV) software in a prototype hybrid computing system with representative climate and weather model components. The hybrid system comprises two Intel blades and two IBM QS22 Cell B.E. blades, connected with both InfiniBand ® (IB) and 1‐Gigabit Ethernet. The system significantly accelerates a solar radiation model component by offloading compute‐intensive calculations to the Cell blades. Systematic tests show that IBM DAV can seamlessly offload compute‐intensive calculations from Intel blades to Cell B.E. blades in a scalable, load‐balanced manner. However, noticeable communication overhead was observed, mainly due to IP over the IB protocol. Full utilization of IB Sockets Direct Protocol and the lower latency production version of IBM DAV will reduce this overhead. Copyright © 2011 John Wiley & Sons, Ltd.
Multi‐organization scheduling approximation algorithms
Authors: Cohen Johanne , Cordeiro Daniel , Trystram Denis , Wagner Frédéric
Published: May 2011

In this paper we consider the problem of scheduling on computing platforms composed of several independent organizations, known as the Multi‐Organization Scheduling Problem (MOSP). Each organization provides both resources and jobs and follows its own objectives. We are interested in the best way to minimize the makespan on the entire platform when the organizations behave in a selfish way. We study the complexity of the MOSP problem with two different local objectives—makespan and average completion time—and show that MOSP is strongly NP‐Hard in both cases. We formally define a selfishness notion, by means of restrictions on the schedules. We prove that selfish behavior imposes a lower bound of 2 on the approximation ratio for the global makespan. We present various approximation algorithms of ratio 2 which validate selfishness restrictions. These algorithms are experimentally evaluated through simulation, exhibiting good average performances and presenting good fairness to organizations' local objectives. Copyright © 2011 John Wiley & Sons, Ltd.
Obesity and Interpersonal Problems: An Analysis with the Interpersonal Circumplex
Authors: Lo Coco Gianluca , Gullo Salvatore , Scrima Fabrizio , Bruno Vincenzo
Published: May 2011

This study examines the interpersonal problems profiles of obese individuals by cluster analysing the interpersonal problems circumplex scores of participants. The Inventory of Interpersonal Problems—Short Circumplex (IIP‐32) was completed by 368 treatment‐seeking obese individuals. These data were cluster analysed, and groups of obese subjects defined by varying interpersonal problems were compared with regard to psychological distress, self‐esteem, body dissatisfaction, quality of life and binge behaviours. Cluster analyses of the IIP‐32 resulted in four clusters, which occupied two quadrants of the interpersonal circumplex. Several differences in body mass index, psychological distress, quality of life and body dissatisfaction emerged across the four interpersonal groups. Although obese individuals reported elevated interpersonal distress, these subjects are not homogeneous with regard to interpersonal problems. Psychiatric co‐morbidity and psychological distress may explain these interpersonal differences. These findings underscore the importance for clinicians to assess carefully patients' interpersonal functioning, especially with respect to treatment‐seeking obese patients. Copyright © 2011 John Wiley & Sons, Ltd.

Key Practitioner Message

Research has not consistently specified the types of interpersonal problems most frequently experienced by treatment‐seeking obese individuals.

Most obese individuals share a friendly–dominant interpersonal style.

This research supports the importance of measuring and targeting interpersonal variables in the design and evaluation of obesity treatment programmes.
A CCII‐based wide frequency range square waveform generator
Authors: De Marcellis Andrea , Di Carlo Claudia , Ferri Giuseppe , Stornelli Vincenzo
Published: May 2011

In this paper, we propose a novel current‐mode solution suitable for the square waveform generation. The designed oscillator, which utilizes only two positive second‐generation current conveyors as active blocks, six resistors and a capacitor, is based on a current differentiation, instead of voltage integration, typical of developed solutions both in voltage‐mode and in current‐mode approaches, so avoiding circuit limitations due to the node saturation effects. The proposed circuit has been designed, as an integrated solution at transistor level, in a standard CMOS technology, with low‐voltage (± 1V) and low‐power (430µW) characteristics. Simulation results have confirmed the good circuit behaviour, also for working temperature drifts, showing good linearity in a wide oscillation frequency range, which can be independently adjusted through either capacitive (in the range pF − µF) or resistive (in the range M Ω–G Ω) external passive components. Waiting for the chip fabrication, preliminary measurements have been performed using a laboratory breadboard employing the CCII with AD844 commercial component and sample capacitors and resistors. The experimental results have shown good agreement with both simulations and theoretical expectations. Copyright © 2011 John Wiley & Sons, Ltd.
Group consensus review minimizes the diagnosis of “follicular lesion of undetermined significance” and improves cytohistologic concordance
Authors: Jing Xin , Knoepp Stewart M. , Roh Michael H. , Hookim Kim , Placido Jeremiah , Davenport Robertson , Rasche Rodolfo , Michael Claire W.
Published: May 2011

We conducted a group consensus review of thyroid aspirates that were previously interpreted as “atypia of undetermined significance/follicular lesion of undetermined significance” (AUS/FLUS) and followed by surgical interventions. The study aimed to investigate if consensus review would minimize the diagnosis of AUS/FLUS with an optimal interobserver agreement and also promote a better cytohistologic concordance. A group of reviewers who were blinded to the corresponding histologic findings simultaneously evaluated a total of 50 aspirates at a multiheaded light microscope. Using the Bethesda System for Reporting Thyroid Cytopathology as a guideline, a consensus interpretation was reached upon review of each aspirate. Interobserver agreement was calculated and recorded. The cytohistologic correlation was then performed between the consensus interpretation and the corresponding histologic diagnosis. The consensus review reclassified 26 (52%) aspirates as non‐neoplasia/benign, 10 (20%) as follicular neoplasm/suspicious for a follicular neoplasm, 1 (2%) as papillary thyroid carcinoma, and 2 (4%) as nondiagnostic. Eleven (22%) aspirates remained AUS/FLUS. The interobserver agreement across the five diagnostic categories ranged from 71.6% to 100% with an average level of 88.8%. Cytohistologic concordance was achieved in 24 of 26 (92.3%) and 9 of 11 (81.8%) aspirates that were reclassified as non‐neoplasia/benign and neoplasia/malignancy, respectively. A diagnostic accuracy of 89.2% (33/37) was obtained in reclassified cases. In conclusion, the group consensus review minimized AUS/FLUS, offered an optimal level of interobserver agreement, and most importantly, promoted excellent cytohistologic concordance in reclassified cases and, therefore, could play a substantial role in the future in reducing reaspiration and/or unnecessary surgeries. Diagn. Cytopathol. 2012. © 2011 Wiley‐Liss, Inc
The triage efficacy of fine needle aspiration biopsy for follicular variant of papillary thyroid carcinoma using the Bethesda reporting guidelines
Authors: Kurian Elizabeth M. , Dawlett Marilyn , Wang Jianping , Gong Yun , Guo Ming
Published: May 2011

Diagnosis of follicular variant of papillary thyroid carcinoma (FVPTC) by ultrasound‐guided fine‐needle aspiration (FNA) is challenging. In this retrospective review, we evaluated triage efficacy (i.e., potential for triggering surgical intervention) in 44 archived FNA biopsies of surgically confirmed FVPTC obtained between December 2006 and December 2008. We compared the original FNA diagnoses with reclassified diagnoses based on 2007 National Cancer Institute (NCI)/Bethesda recommendations, and reviewed FNA cytologic features. Original FNA diagnoses included colloid nodule (7%, 3/44), atypical follicular cells (5%, 2/44), follicular lesion (11%, 5/44), follicular neoplasm (16%, 7/44), suspicious for malignancy/PTC (27%, 12/44), and papillary thyroid carcinoma (34%, 15/44). Reclassified diagnoses included indeterminate (5%, 2/44), colloid nodule (7%, 3/44), atypical cells of undetermined significance [ACUS] (7%, 3/44), Hurthle cell neoplasm (2%, 1/44), follicular neoplasm (7%, 3/44), suspicious for malignancy/PTC (25%, 11/44), and PTC (48%, 21/44). Triage efficacy was 77% (34/44) for original diagnoses versus 82% (36/44) for reclassified FNA diagnoses. We frequently observed cytologic features of PTC, such as nuclear grooves and fine chromatin; conversely, intranuclear inclusions, though present in 77% cases, were scant. Our review findings suggest that lack of characteristic cytologic features of PTC,coexistence with other thyroid lesions, and small tumor size arethe major obstacles to FNA diagnosis of FVPTC. Reclassification of thyroid FNA diagnoses does not significantly improve triage efficacy. Furthermore, FNA diagnoses of follicular neoplasm and suspicious for malignancy are valuable in patients with FVPTC because they trigger triage toward surgical intervention. Diagn. Cytopathol. 2012;40:E69–E73. © 2011 Wiley Periodicals, Inc.
The relationship between serum ferritin and metabolic syndrome in healthy Korean men
Authors: Ryoo Jae‐Hong , Kim Min‐Gi , Lee Da‐Woon , Shin Ju‐Young
Published: May 2011

Background and objective

Elevated serum ferritin levels have been reported to be associated with several metabolic disorders. We investigated the relationship between serum ferritin level and metabolic syndrome and its components in healthy Korean men.

Methods

In this cross‐sectional study, serum ferritin level and metabolic syndrome and its components were measured from 18 581 men from January to December in 2008. The presence of metabolic syndrome was determined according to the most recent consensus report of the National Cholesterol Education Program's Third Adult Treatment Panel. Logistic regression models were applied to examine the relationship between the serum ferritin level and the metabolic syndrome and its components.

Results

After adjusting for clinical covariates, the odds ratio and 95% confidence intervals of metabolic syndrome with respect to Q2, Q3 and Q4 were 1.34 (1.14–1.57), 1.49 (1.24–1.70) and 1.99 (1.70–2.33), respectively (p for trend < 0.001). The multivariable‐adjusted model also showed a significantly graded relationship between individual components of metabolic syndrome and the quartile groups of serum ferritin.

Conclusions

In this study, elevated ferritin concentration is independently associated with metabolic syndrome and its components among healthy Korean men. Copyright © 2011 John Wiley & Sons, Ltd.
BMPR‐II is dispensable for formation of the limb skeleton
Authors: Gamer Laura W. , Tsuji Kunikazu , Cox Karen , Capelo Luciane P. , Lowery Jonathan , Beppu Hideyuki , Rosen Vicki
Published: May 2011

Initiation of BMP signaling is dependent upon activation of Type I BMP receptor by constitutively active Type II BMP receptor. Three Type II BMP receptors have been identified; Acvr2a and Acvr2b serve as receptors for BMPs and for activin‐like ligands whereas BMPR‐II functions only as a BMP receptor. As BMP signaling is required for endochondral ossification and loss of either Acvr2a or Acvr2b is not associated with deficits in limb development, we hypothesized that BMPR‐II would be essential for BMP signaling during skeletogenesis. We removed BMPR‐II from early limb mesoderm by crossing BMPR‐II floxed mice with those carrying the Prx1‐Cre transgene. Mice lacking limb expression of BMPR‐II have normal skeletons that could not be distinguished from control littermates. From these data, we conclude that BMPR‐II is not required for endochondral ossification in the limb where loss of BMPR‐II may be compensated by BMP utilization of Acvr2a and Acvr2b. genesis, 00:1‐6, 2011. © 2011 Wiley‐Liss, Inc.
Adiponectin is a negative regulator of antigen‐activated T cells
Authors: Wilk Sabrina , Scheibenbogen Carmen , Bauer Sandra , Jenke Alexander , Rother Madlen , Guerreiro Manuel , Kudernatsch Robert , Goerner Nicole , Poller Wolfgang , Elligsen‐Merkel Diana , Utku Nalan , Magrane Jordi , Volk Hans D. , Skurk Carsten
Published: May 2011

Adiponectin (APN), a cytokine constitutively produced in fat tissue, has been shown to exert anti‐inflammatory effects in various disease models. While the influence of APN on monocytic cells has been extensively studied in vitro, little is known about its role in T cells. In this study, we show that while <10% of human peripheral blood T cells express adiponectin receptors (AdipoRs) on their surface, most T cells store AdipoRs in intracellular compartments. AdipoRs colocalized with immune regulatory molecules CTLA‐4 and TIRC7 within clathrin‐coated vesicles. After stimulation, the expression of adiponectin receptor 1 (AdipoR1) and AdipoR2 was upregulated on the surface of antigen‐specific T cells, as determined by tetramer or CD137 staining, and AdipoR1 and AdipoR2 coexpressed with CTLA‐4. Addition of APN resulted in a significant diminution of antigen‐specific T‐cell expansion. Mechanistically, APN enhanced apoptosis and inhibited proliferation of antigen‐specific T‐cell lines. Further, APN directly inhibited cytokine production in response to antigen stimulation. In line with the in vitro data, APN‐deficient (knockout, KO) mice had higher frequencies of CD137+ T cells upon Coxsackie B virus infection. Altogether, our data suggest that APN is a novel negative T‐cell regulator. In contrast to the CTLA‐4 ligand B7 only expressed on APCs, APN is abundant in human plasma.
Substrate Hydroxylation by the Oxido–Iron Intermediate in Aromatic Amino Acid Hydroxylases: A DFT Mechanistic Study
Authors: Olsson Elaine , Martinez Aurora , Teigen Knut , Jensen Vidar R.
Published: May 2011

Substrate hydroxylation by an FeIV=O cluster model of the active center in aromatic amino acid hydroxylases (AAHs) has been investigated by means of DFT calculations. Whereas benzene was used as a model for the aromatic amino acid substrate, the water‐free FeIV=O cluster model has been used in previous studies of enzyme activation and formation of the hydroxylating intermediate. This cluster model also has the pterin cofactor placed in the first coordination sphere of the iron atom and differs substantially from models used in previous computational studies of AAH‐catalyzed hydroxylations. The formation of the (Fe)O–C(benzene) bond is associated with a free‐energy barrier (12.6 kcal mol–1) that is slightly lower than that calculated previously for the formation of the FeIV=O species. The subsequent steps, the NIH shift and the tautomerization leading to the phenol product are both associated with lower energy barriers. The substrate hydroxylation is followed by protonation of the oxidized iron‐bound cofactor to give the pterin‐4a‐carbinolamine product. The latter is subsequently dissociated upon rebinding of water molecules to produce the hexacoordinate iron complex of the enzyme resting state. Consequently, no product is released before the oxidation of both the substrate and the cofactor has been completed. Finally, the current study completes the catalytic cycle and regenerates the catalyst, with a barrier energy comparable to that of the (Fe)O–C(benzene) bond formation.
Guanidinium‐Based Phosphotungstates and Ionic Liquids as Catalysts and Solvents for the Epoxidation of Olefins with Hydrogen Peroxide
Authors: Gharnati Loubna , Walter Olaf , Arnold Ulrich , Döring Manfred
Published: May 2011

Several penta‐ and hexaalkylated guanidinium‐based ionic liquids (GILs) were tested as solvents for the epoxidation of cyclooctene using the Venturello catalyst, [(C8H17)3N(CH3)]3[PO4{WO(O2)2}4], and hydrogen peroxide as the oxidant. Epoxide yields were obtained in a broad range between 13 and 79 % depending on both the anion and the substituents on the guanidinium moiety. Recycling experiments showed that the catalyst can be used at least three times. Furthermore, new guanidinium phosphotungstates with the PW12O403– anion were synthesized and characterized. Their catalytic performance was evaluated, and GILs as well as acetonitrile were employed as the solvent. Results were compared to those obtained with the comparable ammonium‐based catalysts [NR4]3[PW12O40] (R = C4H9, C6H13) and the analogous imidazolium‐based catalyst [BMIM]3[PW12O40] containing the 1‐butyl‐3‐methylimidazolium cation. Employing different GILs as solvents, similar results were obtained for the guanidinium and imidazolium catalysts but significantly lower epoxide yields were obtained using the ammonium catalysts. On using acetonitrile as the solvent, guanidinium‐based catalysts exhibited a better performance than the imidazolium catalyst in the case of linear and branched olefins and vice versa in the case of cyclic olefins.
InBr3‐Catalyzed Deoxygenation of Carboxylic Acids with a Hydrosilane: Reductive Conversion of Aliphatic or Aromatic Carboxylic Acids to Primary Alcohols or Diphenylmethanes
Authors: Sakai Norio , Kawana Keita , Ikeda Reiko , Nakaike Yumi , Konakahara Takeo
Published: May 2011

A simple and practical procedure for the direct reduction of aliphatic carboxylic acids with a variety of functional groups to a primary alcohol using the mild reducing reagent tetramethyldisiloxane (TMDS), in the presence of a catalytic amount of InBr3 has been developed. This simple reducing system, when used together with a hydrosilane, allows the preparation of the diphenylmethane derivative directly from an aromatic carboxylic acid and an aromatic compound.
A New Siderophore Isolated from Streptomyces sp. TM‐34 with Potent Inhibitory Activity Against Angiotensin‐Converting Enzyme
Authors: Kodani Shinya , Ohnishi‐Kameyama Mayumi , Yoshida Mitsuru , Ochi Kozo
Published: May 2011

A new siderophore named tsukubachelin was isolated from an iron‐deficient culture medium of newly isolated strain Streptomyces sp. TM‐34. The chemical structure of tsukubachelin was established by the interpretation of 2D NMR and TOF‐Mass spectroscopic data. The structure of tsukubachelin consists of six amino acid residues, including three serine, and one each of N‐α‐methyl‐N‐δ‐hydroxy‐N‐δ‐formylornithine, N‐α‐methyl‐N‐δ‐hydroxyornithine, and cyclic N‐hydroxyornithine. Because the structurally related siderophore, desferri‐foroximithine, was reported to have potent angiotensin‐converting enzyme inhibition activity, the inhibitory activity of desferri‐tsukubachelin and desferri‐foroximithine were tested for structure–activity comparison. Desferri‐tsukubachelin showed 14 times more potent inhibitory activity than desferri‐foroximithine. This result indicates that desferri‐tsukubachelin may become a promising agent for angiotensin‐converting enzyme inhibition.
Synthesis and Aggregation Properties of Two‐ and Three‐Armed Nitrogen‐Rich Chelate Ligands: Novel Bis(N‐acylamidines), Tris(N‐acylamidines) and Bis(triazapentadienes) with Flexible or Rigid Spacers
Authors: Clodt Juliana Isabel , Wigbers Christof , Reiermann Ralph , Fröhlich Roland , Würthwein Ernst‐Ulrich
Published: May 2011

Two‐ and three‐armed ligands, like bis(N‐acylamidines) 7 and 9, tris(N‐acylamidines) 8 and bis(1,3,5‐triazapenta‐1,3‐dienes) 10 with different spacers between the ligand moieties, have been easily prepared in moderate‐to‐good yields starting from diamines, triamines or dicarboxylic acid derivatives. Thus, the reaction of diamines and triamines with N‐acylimidates 3 led to bis(N‐acylamidines) 7 and tris(N‐acylamidines) 8, respectively, linked through the amino group. Ligands 9, interconnected through the carbonyl groups, were obtained starting from dicarboxylic acid dichlorides and amidines. Bis(triazapentadienes) 10, linked through carbon atoms, were synthesized from a diamide, which was converted into a bis(N‐imidoylimidate) 17 followed by reactions with deprotonated amines. These compounds show variable aggregation behaviour in the solid state as a result of intra‐ and intermolecular hydrogen bonding. All compounds were thoroughly characterized including by X‐ray diffraction.
Intermolecular Phosphoryl Transfer of N‐Phosphoryl Amino Acids
Authors: Gao Xiang , Deng Honggui , Tang Guo , Liu Yan , Xu Pengxiang , Zhao Yufen
Published: May 2011

N‐Phosphoryl amino acids (NPAAs) are a novel series of N‐terminal‐activated amino acids that act as the energy source and phosphoryl donor in intra‐ and intermolecular phosphoryl transfer to form “high‐energy” species, such as acetyl phosphate and aminoacyl phosphates, and in the self‐assembled synthesis of polypeptides under mild aqueous conditions. In this work, the chemical reactivity of N‐mono(methoxyphosphoryl)glycine as a representative was investigated in detail by using a combination of the stable‐isotope‐labeling (15N) technique, 31P NMR, ESI‐MS/MS and LC‐MS. The phosphoryl group of NPAAs can be transferred intermolecularly to the carboxy group of another molecule through intramolecular cyclic pentacoordinate phosphoric–amino acid anhydride intermediates. In addition to C‐terminal activation by phosphate anhydride, amino acids can also be self‐activated by N‐phosphorylation. This information not only provides some interesting clues for understanding the active role of the phosphoryl group in living systems, but also shows that the origin of life might be attributed to the chemical evolution of N‐phosphoryl amino acids.
Schiff Bases from TRIS and ortho‐Hydroxyarenecarbaldehydes: Structures and Tautomeric Equilibria in the Solid State and in Solution
Authors: Martínez R. Fernando , Ávalos Martín , Babiano Reyes , Cintas Pedro , Jiménez José L. , Light Mark E. , Palacios Juan C.
Published: May 2011

Three Schiff bases generated by conventional condensation of a simple aminopolyol (TRIS) and 5‐bromo‐ and 5‐iodosalicylaldehyde, and 2‐hydroxy‐1‐naphthaldehyde, have been fully characterized, both in solution and in the solid state. This study provides a complete analysis of imine–enamine equilibria, and sheds light onto the mechanism of hydrogen transfer, which has been controversial in the literature. Low‐temperature X‐ray diffraction accompanied by electron‐density maps have further been complemented by theoretical studies at the B3LYP/6‐31G* and M06‐2X/6‐311++G** levels. To ascertain the influence of crystal packing on tautomeric stability, the lattice has also been simulated by computation. This protocol involves the assessment of a supramolecular cluster around a core tautomer possessing either imine or enamine structures. Such an analysis, in full agreement with solid‐state data, reveals the greater stability of zwitterionic structures for the salicyl derivatives. In contrast, these substances show preferential imine forms in solution, whereas the naphthyl‐based compound exhibits a prevalent keto‐enamine structure in all cases.
Synthesis of Tn/T Antigen MUC1 Glycopeptide BSA Conjugates and Their Evaluation as Vaccines
Authors: Cai Hui , Huang Zhi‐Hua , Shi Lei , Zou Peng , Zhao Yu‐Fen , Kunz Horst , Li Yan‐Mei
Published: May 2011

The tumor‐associated mucin MUC1 over‐expressed in most epithelial tumor tissues is considered a promising target for immunotherapy. The extracellular part of MUC1 contains a domain of numerous tandem repeats of the amino acid sequence HGVTSAPDTRPAPGSTAPPA, including five potential O‐glycosylation sites. In this study, T9 and S15 have been chosen as the positions of glycosylation. The glycopeptides N‐terminally equipped with a triethylene glycol spacer were synthesized by microwave‐assisted Fmoc solid‐phase peptide synthesis. After detachment from the resin and deprotection, the MUC1 glycopeptides were conjugated to bovine serum albumin (BSA). To evaluate the immunological properties, balb/c mice were immunized with these BSA vaccines.
Chiral Heterodisulfoxide Ligands in Rhodium‐Catalyzed Asymmetric 1,4‐Addition of Arylboronic Acids to Chromenones
Authors: Han Fuzhong , Chen Guihua , Zhang Xiangyang , Liao Jian
Published: May 2011

A new family of benzene‐based chiral heterodisulfoxide ligands L1–L5 was synthesized in a single step. These disulfoxide ligands were applied in the rhodium‐catalyzed asymmetric 1,4‐addition of arylboronic acids to chromenones. The addition of diverse arylboronic acids to chromenones proceeds smoothly in up to 70 % yield with up to 95 % ee.
Anthradithiophene Derivatives Substituted at the 2,8‐Positions by Formyl and Triphenylamine Units: Synthesis, Optical, and Electrochemical Properties
Authors: Balandier Jean‐Yves , Sebaihi Noham , Boudard Pol , Lemaur Vincent , Quist Florence , Niebel Claude , Stas Sara , Tylleman Benoît , Lazzaroni Roberto , Cornil Jérôme , Geerts Yves Henri
Published: May 2011

The synthesis and characterization of two new anthradithiophene (ADT) derivatives substituted by thiophenyl or 2‐octylthiophenyl units at the 5,11‐positions and donor (triphenylamine) or acceptor (aldehyde functions) moieties at the 2,8‐positions of their backbone are described. Optical measurements were performed to evaluate the effect of electron‐rich/‐poor substituents on their stability towards photo‐oxidation and were supported by quantum chemical calculations and cyclic voltammetry experiments.
Anodic Stripping Voltammetric Determination of Iron(II) at a Carbon Paste Electrode Modified with Dithiodianiline (DTDA) and Gold Nanoparticles (GNP)
Authors: Gholivand Mohammad Bagher , Geravandi Behrooz , Parvin Mohammad Hadi
Published: May 2011

A differential pulse anodic stripping voltammetric procedure was developed for the determination of trace amounts of iron(II) in the presence of iron(III) at a carbon paste electrode (CPE) modified with dithiodianiline and gold nanoparticle. At the pH working of 3.0, a wide concentration range from 0.1 nM to 100 nM was observed with the detection limit of 0.05 nM. The relative standard deviation for a solution containing 50 nM of iron(II) was found to be 3.11 % (n=9). Possible interferences from the coexisting ions were also investigated. The validity of the method and applicability of the sensor were successfully tested by determining of iron(II) in lentil, wheat seed and barley seed samples.
Comparison of Multi‐walled Carbon Nanotubes and Poly(3‐octylthiophene) as Ion‐to‐Electron Transducers in All‐Solid‐State Potassium Ion‐Selective Electrodes
Authors: Mousavi Zekra , Teter Agnieszka , Lewenstam Andrzej , Maj‐Zurawska Magdalena , Ivaska Ari , Bobacka Johan
Published: May 2011

Multi‐walled carbon nanotubes (MWCNTs) were compared with poly(3‐octylthiophene) (POT) as ion‐to‐electron transducer in all‐solid‐state potassium ion‐selective electrodes with valinomycin‐based ion‐selective membranes. MWCNTs and POT were mixed with the other components of the potassium ion‐selective membrane cocktail (valinomycin, KTpClPB, o‐NPOE, PVC, THF) which was then applied on a glassy carbon (GC) substrate to prepare single‐piece ion‐selective electrodes (SPISEs). Results from potentiometric and impedance measurements showed that the MWCNT‐based electrodes have a more reproducuible standard potential and a lower overall impedance than the electrodes based on POT. Both types of electrodes showed similar sensitivity to potassium ions and no redox sensitivity.
Application of Square Wave Anodic Stripping Voltammetry for Determination of Traces of Ti(I) at Carbon Electrodes In Situ Modified with Bi Films
Authors: Caldeira Alexandra , Gouveia‐Caridade Carla , Pauliukaite Rasa , Brett Christopher M. A.
Published: May 2011

Bismuth films deposited in situ at glassy carbon and carbon film electrodes were tested for the determination of traces of Tl(I) separately and together with Zn(II) and Pb (II), in acetate buffer solution pH 3.7, using square wave anodic stripping voltammetry. Electrochemical impedance spectra in the presence of Tl(I) showed differences between the electrode substrates. The sensitivity to Tl does not depend on the presence of other ions, and was better at carbon film electrodes, although the 2 nmol L−1 detection limit was independent of electrode substrate. Application to the measurement of Tl(I) in commercial berry juice is demonstrated.
Carbon Nanoparticle Surface Electrochemistry: High‐Density Covalent Immobilisation and Pore‐Reactivity of 9,10‐Anthraquinone
Authors: Watkins John D. , Lawrence Katherine , Taylor James E. , James Tony D. , Bull Steven D. , Marken Frank
Published: May 2011

2‐Bromomethyl‐9,10‐anthraquinone is covalently bound to carbon nanoparticle surfaces (Emperor 2000, Cabot Corp., with sulphonamide groups, ca. 9 to 18 nm diameter) with a coverage of ca. 250 anthraquinone molecules per particle (ca. 180 Å2 per anthraquinone). The resulting hydrophobic carbon particles are dispersed in ethanol and coated onto glassy carbon electrodes. Electrochemical experiments are reported demonstrating the effect of surface coverage, scan rate, and pH. A linear shift in reversible potential of ca. 59 mV per pH unit from pH 2 to 12 is observed consistent with the reversible 2‐electron 2‐proton reduction of anthraquinone. High density of anthraquinone in carbon nanoparticle aggregates causes buffer capacity effects. Binding of hydrophobic tetraphenylborate anions into carbon nanoparticle aggregate pores is demonstrated. Applications in buffer characterisation and pH‐sensing are discussed.
Forward likelihood‐based predictive approach for space–time point processes
Authors: Chiodi Marcello , Adelfio Giada
Published: May 2011

Dealing with data from a space–time point process, the estimation of the conditional intensity function is a crucial issue even if a complete definition of a parametric model is not available. In particular, in case of exploratory contexts or if we want to assess the adequacy of a specific parametric model, some kind of nonparametric estimation procedure could be useful.

Often, for these purposes kernel estimators are used and the estimation of the intensity function depends on the estimation of bandwidth parameters. In some fields, like for instance the seismological one, predictive properties of the estimated intensity function are pursued. Since a direct ML approach cannot be used, we propose an estimation procedure based on the subsequent increments of likelihood obtained adding an observation one at a time. Simulated results and some applications to statistical seismology are provided. Copyright © 2011 John Wiley & Sons, Ltd.
Quantifying local and background contributions to PM10 concentrations in Haute‐Normandie, using random forests
Authors: Bobbia Michel , Jollois François‐Xavier , Poggi Jean‐Michel , Portier Bruno
Published: May 2011

The problem is to quantify local and background contributions to PM10 concentrations in Haute‐Normandie region. We use measures of pollution variables on a network of 11 monitoring sites, completed by meteorological variables, during 2004–2009. Random forests (RFs), a recent statistical method, are used to put in evidence the marginal effects of explanatory variables, and to classify parameters of influence on PM10 pollution in different situations: roadside, urban background, industrial, and rural. The local pollution is the most important source and is marked by the classic tracers NO and NO2 as urban activity pollution, and SO2 as industrial one. The entire process of statistical quantification of local and background contributions, without neither direct information nor measurements about sources, can be divided in three main steps. The first one is to classify the explanatory variables (pollutants and meteorological parameters) into five groups: pollutants from urban activity, pollutants from industrial activity, and three groups of meteorological variables. The second step is to handle the specificity of a rural and coastal station for which there is a priori no local pollution sources, to use it as a marker of the background pollution. The final step consists of quantifying the local and background contributions to the PM10 pollution, using only markers of urban and industrial activities and PM10 background. As a synthetic conclusion, it appears as often seen in publications about other geographical locations, that the local part contributes half of the total pollution. Copyright © 2011 John Wiley & Sons, Ltd.
Global optimization of wastewater integration networks for processes with multiple contaminants
Authors: Nápoles‐Rivera Fabricio , Ponce‐Ortega José María , El‐Halwagi Mahmoud M. , Jiménez‐Gutiérrez Arturo
Published: May 2011

A formulation for the global optimization of recycle and reuse mass integration networks is presented. In addition to direct recycle, the model includes adding in‐plant interceptors and terminal treatment systems. The model also considers wastewater streams with multiple contaminants. Because of the nonlinear and nonconvex nature of the optimization model, a two‐tier approach is proposed along with a simplifying superstructure. First, a presynthesis problem is solved to identify the performance and cost of interceptors with specific tasks. Next, a representation that avoids the mixing of different streams in the treatment system is formulated. As a result, linear relationships on the mass balances are obtained, which implies that the model can be solved for global optimality. An application to a real case study of a refinery system is carried out. When compared to the original system and to the results provided by an integration based on a simple direct recycle strategy, the results show that significant reductions in fresh sources consumption and waste generated can be achieved with the application of the proposed integration framework. © 2011 American Institute of Chemical Engineers Environ Prog, 2011
Acid blue 92 photocatalytic degradation in the presence of scavengers by two types photocatalyst
Authors: Elahifard Mohammad Reza , Gholami Mohammad Reza
Published: May 2011

Two types of nanosized photocatalyst, TiO2 P‐25 and ap/Ag/AgBr/TiO2, were used for decolorization of Acid Blue 92 (AB92) in dark, visible light (V‐L), and UV media. Under UV and V‐L, the effect of three possible photodegradation processes of AB92 including photocatalytic degradation, self‐photosensitization, and direct photolysis were studied. Results showed that in UV/photocatalysts, photocatalytic degradation is the major process for photodecolorization. However, in the presence of TiO2, self‐photosensitization has the major role under V‐L. Because of the presence of AgBr as photoactive center in ap/Ag/AgBr/TiO2, the main process is the photocatalytic degradation in V‐L. By using isopropanol and catalase as •OH and H2O2 scavenger, the results showed that in ap/Ag/AgBr/TiO2, •OH and hole act as AB92 oxidizer, respectively, while in TiO2, •OH, hole, and also H2O2 play that role. Meanwhile, AB92 showed a different regular behavior with KI in photodegradation processes. This phenomena is assisted by the formation of I2 in photocatalytic process. By direct oxidation, I2 increases the reaction rate and shifts the maximum wavelength absorption of AB92. © 2011 American Institute of Chemical Engineers Environ Prog, 2011
Spatial and temporal controls on historical channel responses – study of an atypical case: Someşu Mic River, Romania
Authors: Perşoiu Ioana , Rădoane Maria
Published: May 2011

In this paper the spatial and temporal responses of the Someşu Mic River (Romania) to natural and anthropogenic controls over the past 150 years are analysed, based on a series of morphometric parameters extracted from five successive sets of topographic maps and one set of orthophotos. Prior to the intensive hydrotechnical interventions of the last four decades, the river was characterized by a complex alternation of different channel types, resulting in a mixture of alluvial and mixed sinuous – meandering – sinuous anabranched – meandering anabranched reaches, each a few hundred metres to a few kilometres long. The main cause for this spatial behaviour was the local geology. Its effects were intensified by a larger scale slope, slightly higher than along a longitudinal profile with normal concavity, as a consequence of the presence of a 400 m elevation knick‐point located in the catchment area.

A generalized maintenance of river in the floodplain perimeter during the entire interval of study (centennial scale), with local planform adjustments and lack of median scale avulsion in lateral tilting areas and along the anabranched reaches, channel lengthening and meander development during hydrological stable periods and channel shortening and increasing of natural cutoffs during periods with higher incidence of floods (decadal scale), and the incapacity of local morphologic changes resulted from human interventions to completely counterbalance general trends (decadal scale), supports the idea of decreasing the amplitude and frequency of important floods, after the end of the Little Ice Age.

Channel metamorphosis by canalization, diminishing/elimination of overflows and medium‐scale avulsions by changes in flow regimes (dams) and the presence of dykes in the floodplain perimeter, channel narrowing (43%) and incision (at least after 1945) downstream from dams, and probably because of in‐channel gravel mining are the main anthropically induced changes along the Someşu Mic River. Even if human impact is important, both at the drainage basin scale and along the Someşu Mic River, it has only local impacts, subordinated to climate. The low level of human impact on this river could be the consequence of the higher general slope downstream from 400 m elevation knick‐point, which probably forces the positioning of its effects under an important internal threshold of the fluvial system. This boundary condition defines Someşu Mic River as an atypical river. This study supports the idea that climate has a more important role in the post‐Little Ice Age (LIA) rivers' behaviour than currently accepted. Copyright © 2011 John Wiley & Sons, Ltd.
Performance Assessment of a Combined PEM Fuel Cell and Triple‐Effect Absorption Cooling System for Cogeneration Applications
Authors: Ratlamwala T. A. H. , Gadalla M. A. , Dincer I.
Published: May 2011

In this paper, a parametric study of a combined proton exchange membrane (PEM) fuel cell and triple‐effect absorption cooling system (TEACS) is undertaken to investigate the effect of different operating conditions and system parameters on the COPs, efficiency of the fuel cell and the integrated system's overall utilisation factor. It is found that the fuel cell efficiency increases from 40% to 44.5% as the operating temperature of the fuel cell increases. However, as the fuel cell's temperature and current density increase, the COPs decrease from 2.4 to 0.9 as a result of the increase in the energy output of the fuel cell ranging from 7.4 to 10.7 kW. The efficiency of the fuel cell decreases from 41% to 32% with an increase in both fuel cell's current density and membrane thickness. The overall utilisation factor of the integrated system decreases from 84% to 35% with an increase in the current density and molar flow rate. Finally, this study reveals that the present integrated PEM fuel cell unit with a TEACS can be considered as an attractive and environmentally benign option for cogeneration purposes in sustainable buildings.
Thermal Behaviours and Single Cell Performance of PBI‐OO/PFSA Blend Membranes Composited with Lewis Acid Nanoparticles for Intermediate Temperature DMFC Application
Authors: Hu J. , Luo J. , Wagner P. , Agert C. , Conrad O.
Published: May 2011

Building on the improved proton conductivity at intermediate temperatures under anhydrous conditions using a ‘proton donor–proton acceptor' concept demonstrated for the first time in the composite membrane made of inorganic lewis acid (boron‐based electron‐deficient nanoparticles) and a poly‐[(1‐(4,4′‐diphenylether)‐5‐oxybenzimidazole)‐benzimidazole] (PBI‐OO)/perfluorosulfonic acid (PFSA) blend, we report here the thermal behaviours and direct methanol fuel cell (DMFC) single cell performance of these membranes at intermediate temperatures (90–120 °C). It is found that the PFSA/PBI‐OO blends and PFSA/PBI‐OO/nano‐BN composites show decreased thermal stability compared to pristine PFSA. We attribute this to a proton transfer reaction between the sulfonic acid and imidazole moieties of the constituent polymers inducing a decreased stability of the resulting sulfonate group. When operated with dry oxygen and methanol/water vapour, the single cell performance of PFSA/PBI‐OO blends is slightly improved compared to that of pristine PFSA. The PFSA/PBI‐OO/nano‐BN composite membranes exhibit much better single cell performance at intermediate temperatures, which could be mainly attributed to its higher anhydrous proton conductivity.
Preliminary Study on Direct Operation of LT‐SOFCs Based on GDC Electrolyte Film With DME Fuel
Authors: Ding J. , Liu J. , Feng Y. , Yin G.
Published: May 2011

Direct operation of anode‐supported cone‐shaped tubular low temperature solid oxide fuel cells (LT‐SOFCs) based on gadolinia‐doped ceria (GDC) electrolyte film with dimethyl ether (DME) fuel was preliminarily investigated in this study. The single cell exhibited maximum power densities of 500 and 350 mW cm–2 at 600 °C using moist hydrogen and DME as fuel, respectively. A durability test of the single NiO‐GDC/GDC/LSCF‐GDC cell was performed at a constant current of 0.1 A directly fuelled with DME for about 200 min at 600 °C. The results indicate that the single cell coking easily directly operated in DME fuel. EDX result shows a clear evidence of carbon deposition in the anode. Further studies are needed to develop the novel anti‐carbon anode materials, relate the carbon deposition with anode microstructure and cell‐operating condition.
Drosophila melanogaster as a model system for human brain cancers
Authors: Read Renee D.
Published: May 2011

Glioblastomas (GBM), the most common primary brain tumors, infiltrate the brain, grow rapidly, and are refractory to current therapies. Signature genetic lesions in glioblastomas include mutation of the epidermal growth factor receptor tyrosine kinase (EGFR) receptor tyrosine kinase and activating mutations in components of the PI‐3 kinase (PI3K) pathway. Despite years of study, how these pathways specifically regulate glial pathogenesis is unclear. To address the genetic and cellular origins of this disease, a novel Drosophila GBM model has been developed in which glial progenitor cells give rise to proliferative and invasive neoplastic cells that create transplantable tumors in response to constitutive co‐activation of the EGFR‐Ras and PI3K pathways. Standing with a rich literature demonstrating the direct relevance of Drosophila to studies on human cancer, neurological disease, and neurodevelopment, this model represents a robust cell‐type specific Drosophila neurological disease model in which malignant cells are created by mutations in genetic pathways thought to be driving forces in a homologous human disease. Using lineage analysis and cell‐type specific markers, neoplastic glial cells were found to originate from committed glial progenitor cells, rather than from multipotent neuroblasts. Genetic analyses demonstrated that EGFR‐Ras and PI3K induce fly glial neoplasia through activation of a combinatorial genetic network composed, in part, of other genetic pathways also commonly mutated in human glioblastomas. In the future, large‐scale forward genetic screens with this model may reveal new insights into the origins and treatments of human glioblastoma. © 2011 Wiley‐Liss, Inc.