bluuebunny/crossref_metadata_2025 huggingface dataset:
Funnel plots for comparing performance of PCI performing hospitals and cardiologists: Demonstration of utility using the New York hospital mortality data
Authors: Kunadian Babu , Dunning Joel , Roberts Anthony P. , Morley Robert , de Belder Mark A.
Published: November 2008

Background:

The New York State Department of Health collects and reports outcome data on the hospitals and cardiologists who perform percutaneous coronary intervention (PCI) to allow them to examine their quality of care. Results are provided in tabular form. However funnel plots are the display method of choice for comparison of institutions and operators, using the principles of statistical process control (SPC). We aimed to demonstrate that funnel plots, which aid a meaningful interpretation of the results, can be derived from the New York PCI dataset.

Methods:

The risk‐adjusted mortality rates for 48 hospitals and cardiologists performing PCI were used for this analysis. Funnel plots (with control limits at 3 and 2 σ) of all hospitals and operators performing PCI procedures were generated. Separate plots for emergency and nonemergency PCI procedures were derived.

Results:

149,888 patients underwent PCI procedures between January 1, 2002 and December 31, 2004. The 3‐year risk‐adjusted mortality rates for all PCI patients ranged from 0.00 to 1.37%. The funnel plots show risk‐adjusted mortality rates against the denominator for that percentage (number of cases), displayed as a scatter plot and compared with the binomial funnel plot calculated around the mean for all cases reported. The risk‐adjusted mortality rates of all hospitals were within 3 σ (99.8%) upper control limits. The risk‐adjusted mortality rates for three hospitals were above or on the upper warning limit (2 σ control limit, equating to the 95% confidence interval) and three hospitals had risk‐adjusted mortality rates below the 2 and 3 σ control limits.

Conclusion:

The SPC funnel plot is an easy‐to‐interpret, risk‐adjusted means of identifying units whose performance, in terms of mortality, diverges significantly from the population mean. Funnel plots may be applied to a complex dataset and allow a visual comparison of data derived from multiple healthcare units. Variation is readily identified permitting hospitals and cardiologists to appraise their practices so that effective quality improvement may take place. © 2009 Wiley‐Liss, Inc.
Aspiration of embolized thrombus during primary percutaneous coronary intervention
Authors: Stoel Martin G. , von Birgelen Clemens , Zijlstra Felix
Published: November 2008

During percutaneous coronary intervention for acute myocardial infarction, distal embolization of thrombus and plaque material often occurs, despite the use of thrombectomy and aspiration catheters. Large embolized thrombi can cause occlusion of distal coronary vessels for which angioplasty most often leads to no more than poor results. We describe the successful use of an aspiration catheter to treat distally embolized thrombus, to optimize coronary reperfusion therapy, and to improve salvage of myocardial tissue. We discuss the manifestation and incidence of distal embolization and show its clinical relevance. © 2009 Wiley‐Liss, Inc.
The valve‐in‐valve technique: Transcatheter treatment of aortic bioprothesis malposition
Authors: Ussia Gian Paolo , Mulè Massimiliano , Tamburino Corrado
Published: November 2008

Percutaneous aortic valve replacement is an emerging alternative to palliative medical therapy for nonsurgical patients with severe aortic valve stenosis. The impossibility of repositioning of the current transcatheter prosthesis in case of suboptimal placement is the main limit of these devices. Here, we report on a case of an 84‐year‐old woman successfully treated with implantation of two 18‐Fr CoreValve® prosthesis (CoreValve®, Irvine, California), because of the suboptimal deployment of the first one, analyzing the procedural technique and the immediate and short‐term clinical and hemodynamic results. © 2009 Wiley‐Liss, Inc.
cis/trans Isomerism of Hydroalumination and Hydrogallation Products—Reflections on Stability and Rearrangement Mechanism
Authors: Uhl Werner , Bock Henrik Rene , Claesener Michael , Layh Marcus , Tiesmeyer Ines , Würthwein Ernst‐Ulrich
Published: November 2008

Treatment of (silylalkynyl)benzenes with (Me3C)2GaH afforded stable cis‐addition products, for example, (Me3C)2GaC(SiMe3)C(H)C6H5 (1), while spontaneous cis/trans rearrangement was observed for sterically less shielded gallium hydrides. The corresponding trans‐di(tert‐butyl)gallium compounds (13, 14) were obtained by the reaction of C6H6−n[C(H)C(SiMe3)GaCl2]n (11, 12) with LiCMe3. In contrast, spontaneous isomerization took place upon reaction of (Me3C)2AlH with phenyltrimethylsilylethyne. In this case the cis isomer (17) was detected only at low temperature, while the trans product (18) formed quantitatively above 0 °C. Quantum‐chemical calculations showed that the trans forms are thermodynamically favored, essentially caused by a better mesomeric interaction of the CC double bonds with the phenyl groups, a smaller steric stress in the molecules, and a short bonding contact of the coordinatively unsaturated Al or Ga atoms to CH bonds of the aromatic rings. The rotation about the CC double bonds follows a zwitterionic mechanism, and the relatively small rotational barrier is further lowered by an interaction to a Lewis acidic lithium cation.
New 3π‐2Spiro Ladder‐Type Phenylene Materials: Synthesis, Physicochemical Properties and Applications in OLEDs
Authors: Cocherel Nicolas , Poriel Cyril , Rault‐Berthelot Joëlle , Barrière Frédéric , Audebrand Nathalie , Slawin Alexandra M. Z. , Vignau Laurence
Published: November 2008

New routes to ladder‐type phenylene materials 1 and 2 are described. The oligomers 1 and 2, which possess a “3π‐2spiro” architecture, have been synthesized by using extended diketone derivatives 3 and 10 as key intermediates. The physicochemical properties of the new blue‐light emitter 2 were studied in detail and compared with those of the less‐extended 1. Owing to the recent development of fluorenone derivatives and their corresponding more conjugated analogues as potential electron‐transport materials in organic light‐emitting diodes (OLEDs) and as n‐type materials for photovoltaic applications, we also report herein the thermal, optical and electrochemical behavior of the key intermediates, diketones 3 and 10. Finally, the application of dispiro 2 as a new light‐emitting material in OLEDs is reported.
Stereoselective analysis of labetalol in human plasma by LC‐MS/MS: Application to pharmacokinetics
Authors: De Jesus Ponte Carvalho Teresa Maria , De Carvalho Cavalli Ricardo , Marques Maria Paula , Da Cunha Sérgio Pereira , De Oliveira Baraldi Claúdia , Lanchote Vera Lúcia
Published: November 2008

Labetalol is clinically available as a mixture of two racemates (four stereoisomers). The stereoisomer (R,R) has as main activity the β1‐antagonism and the stereoisomer (S,R) is highly selective for the α1adrenoceptor and is responsible for most of the α‐blocker activity. In the present investigation, a method for the analysis of labetalol stereoisomers in human plasma was developed and applied to pharmacokinetic studies. Plasma samples (0.5 ml) were extracted with methyl tert‐butyl ether at pH 9.5. The four labetalol stereoisomers were analyzed by LC‐MS/MS on a Chirobiotic® V column using a mobile phase consisting of methanol, acetic acid, and diethylamine, with a recovery of more than 90% for all four. The quantitation limit was 0.5 ng/ml and linearity was observed at 250 ng/ml plasma for each stereoisomer. Studies of precision and accuracy presented coefficients of variation and percentage inaccuracy of less than 15%, indicating that the method is precise and accurate. The method was applied to the study of the kinetic disposition of labetalol over a period of 12 h after oral administration of a single 100 mg dose to a hypertensive pregnant woman. The clinical study revealed stereoselectivity in the pharmacokinetics of labetalol, with a lower plasma proportion for the active stereoisomers (R,R)‐labetalol and (S,R)‐labetalol. The stereoselectivity observed after oral administration is due to the hepatic metabolism and the first pass effect, with an AUC(R,R)/AUC(S,S)ratio of 0.5. Chirality, 2009. © 2008 Wiley‐Liss, Inc.
Comparative studies between covalently immobilized and coated chiral stationary phases based on polysaccharide derivatives for enantiomer separation of N‐protected α‐amino acids and their ester derivatives
Authors: Jin Jing Yu , Bae Su Kyoung , Lee Wonjae
Published: November 2008

Liquid chromatographic enantiomer separation of several N‐benzyloxycarbonyl (CBZ) and N‐tert‐butoxycarbonyl (BOC) α‐amino acids and their corresponding ethyl esters was performed on covalently immobilized chiral stationary phases (CSPs) (Chiralpak IA and Chiralpak IB) and coated‐type CSPs (Chiralpak AD and Chiralcel OD) based on polysaccharide derivatives. The solvent versatility of the covalently immobilized CSPs in enantiomer separation of N‐CBZ and BOC‐α‐amino acids and their ester derivatives was shown and the chromatographic parameters of their enantioselectivities and resolution factors were greatly influenced by the nature of the mobile phase. In general, standard mobile phases using 2‐propanol and hexane on Chiralpak IA showed fairly good enantioselectivities for resolution of N‐CBZ and BOC‐α‐amino acids and their esters. However, 50% MTBE/hexane (v/v) for resolution of N‐CBZ‐α‐amino acids ethyl esters and 20% THF/hexane (v/v) for resolution of N‐BOC‐α‐amino acids ethyl esters afforded the greatest enantioselectivities on Chiralpak IA. Also, liquid chromatographic comparisons of the enantiomer resolution of these analytes were made on amylose tris(3,5‐dimethylphenylcarbamate)‐derived CSPs (Chiralpak IA and Chiralpak AD) and cellulose tris(3,5‐dimethylphenylcarbamate)‐derived CSPs (Chiralpak IB and Chiralcel OD). Chiralpak AD and/or Chiralcel OD showed the highest enantioselectivities for resolution of N‐CBZ‐α‐amino acids and esters, while Chiralpak AD or Chiralpak IA showed the highest resolution of N‐BOC‐α‐amino acids and esters. Chirality 2009. © 2008 Wiley‐Liss, Inc.
Prognosis of Large, Symptomatic Pericardial Effusion Treated by Echo‐guided Percutaneous Pericardiocentesis
Authors: Kil Uk Hyun , Jung Hae Ok , Koh Yoon Seok , Park Hun Jun , Park Chan Seok , Kim Pum Joon , Baek Sang‐Hong , Seung Ki‐Bae , Choi Kyu‐Bo
Published: November 2008

Backgrounds

The causes and prognosis of pericardial effusion (PE) may be different according to time, region, economy, and hospital. This study was performed to evaluate the etiology, clinical outcome, and prognosis of patients with large, symptomatic PE treated by echo‐guided pericardiocentesis at Kangnam St. Mary's Hopital (the Catholic University of Korea, Seoul, Korea).

Hypothesis

According to etiologies of large, symptomatic PE, the prognosis of patients may be different.

Methods

We reviewed 116 consecutive patients who underwent echo‐guided pericardiocentesis due to large, symptomatic PE over the last 12 y. The Kaplan‐Meier survival curve with log‐rank method was applied for the survival analysis.

Results

Procedural success rate of echo‐guided pericardiocentesis was 99.1%. Common causes of PE requiring pericardiocentesis were lung cancer (27.6%), tuberculosis (TB) (13.8%), and uremia (6.9%). The mortality rate of 6 mo after the pericardiocentesis was 80.3% in malignant PE, whereas the over‐all mortality rate was 18.2% in nonmalignant PE (p < 0.0001). Among the malignant PE, lung cancer (27.6%) and breast cancers (6.9%) were the most common causes. The mean cytologic detection rate and mean life expectancy of malignant PE were 44% and 5‐7 mo. Patients with breast cancer and lymphoma had relatively better life expectancy (11.4 and 7.7 mo), whereas those with stomach cancer and metastases of unknown origin (MUO) had poorer prognosis (1.2 and 2.3 mo). The most common causes of nonmalignant PE were TB, uremia, and iatrogenic, and their mean life expectancy was approximately 54 mo.

Conclusions

Malignancy, especially lung cancer and TB, were the most common causes of large symptomatic PE. The prognosis of large symptomatic PE was related to the underlying disease. Malignant PE was associated with the poorest prognosis. Copyright © 2008 Wiley Periodicals, Inc.
Axospinous synaptic subtype‐specific differences in structure, size, ionotropic receptor expression, and connectivity in apical dendritic regions of rat hippocampal CA1 pyramidal neurons
Authors: Nicholson Daniel A. , Geinisman Yuri
Published: November 2008

The morphology of axospinous synapses and their parent spines varies widely. Additionally, many of these synapses are contacted by multiple synapse boutons (MSBs) and show substantial variability in receptor expression. The two major axospinous synaptic subtypes are perforated and nonperforated, but there are several subcategories within these two classes. The present study used serial section electron microscopy to determine whether perforated and nonperforated synaptic subtypes differed with regard to their distribution, size, receptor expression, and connectivity to MSBs in three apical dendritic regions of rat hippocampal area CA1: the proximal and distal thirds of stratum radiatum, and the stratum lacunosum‐moleculare. All synaptic subtypes were present throughout the apical dendritic regions, but there were several subclass‐specific differences. First, segmented, completely partitioned synapses changed in number, proportion, and α‐amino‐3‐hydroxy‐5‐methyl‐4‐isoxazolepropionate (AMPA) receptor expression with distance from the soma beyond that found within other perforated synaptic subtypes. Second, atypically large, nonperforated synapses showed N‐methyl‐D‐aspartate (NMDA) receptor immunoreactivity identical to that of perforated synapses, levels of AMPA receptor expression intermediate to that of nonperforated and perforated synapses, and perforated synapse‐like changes in structure with distance from the soma. Finally, MSB connectivity was highest in the proximal stratum radiatum, but only for those MSBs composed of nonperforated synapses. The immunogold data suggest that most MSBs would not generate simultaneous depolarizations in multiple neurons or spines, however, because the vast majority of MSBs are comprised of two synapses with abnormally low levels of receptor expression, or involve one synapse with a high level of receptor expression and another with only a low level. J. Comp. Neurol. 512:399–418, 2009. © 2008 Wiley‐Liss, Inc.
An opportunistic cross‐layer architecture for voice in multi‐hop wireless LANs
Authors: Obeidat Suhaib A. , Syrotiuk Violet R.
Published: November 2008

We propose an opportunistic cross‐layer architecture for adaptive support of Voice over IP in multi‐hop wireless LANs. As opposed to providing high call quality, we target emergencies where it is important to communicate, even if at low quality, no matter the harshness of the network conditions.

With the importance of delay on voice quality in mind, we select adaptation parameters that control the ratio of real‐time traffic load to available bandwidth. This is achieved in two ways: minimizing the load and maximizing the bandwidth. The PHY/MAC interaction improves the use of the spectral resources by opportunistically exploiting rate‐control and packet bursts, while the MAC/application interaction controls the demand per source through voice compression. The objective is to maximize the number of calls admitted that satisfy the end‐to‐end delay budget.

The performance of the protocol is studied extensively in the ns‐2 network simulator. Results indicate that call quality degrades as load increases and overlonger paths, and a larger packet size improves performance. For long paths having low‐quality channels, forward error correction, header compression, and relaxing the delay budget of the system are required to maintain call admission and quality. The proposed adaptive protocol achieves high performance improvements over the traditional, non‐adaptive approach. Copyright © 2008 John Wiley & Sons, Ltd.
TLR3 modulates immunopathology during a Schistosoma mansoni egg‐driven Th2 response in the lung
Authors: Joshi Amrita D. , Schaller Matthew A. , Lukacs Nicholas W. , Kunkel Steven L. , Hogaboam Cory M.
Published: November 2008

We examined the role of TLR3 in Th2‐driven pulmonary granulomatous disease, using wildtype (TLR3+/+) and TLR3 gene‐deficient (TLR3−/−) mice in a well‐established model of Schistosoma mansoni egg‐induced pulmonary granuloma. The intravenous bolus injection of S. mansoni eggs into S. mansoni‐sensitized TLR3+/+ mice was associated with an increase in TLR3 transcript expression in alveolar macrophages and ex vivo spleen and lung cultures at day 8 after egg injection. Lungs from TLR3−/− mice showed an increase in granuloma size, greater collagen deposition around the granuloma, and increased Th2 cytokine and chemokine levels compared with similarly sensitized and challenged TLR3+/+ mice. Macrophages from TLR3−/− mice exhibited an M2 phenotype characterized by increased arginase and CCL2 expression. Significantly greater numbers of CD4+CD25+ T cells were present in the lungs of TLR3−/− mice compared with TLR3+/+ mice at day 8 after egg embolization. Cells derived from granulomatous lung and lung draining lymph nodes of TLR3−/− mice released significantly higher levels of IL‐17 levels relative to TLR3+/+ cells. Thus, our data suggest that TLR3 has a major regulatory role during a Th2‐driven granulomatous response as its absence enhanced immunopathology.
Photocatalytic activity of Nd‐doped ZnO for the degradation of C.I. Reactive Blue 4 in aqueous suspension
Authors: Zhou Y. , Lu S.X. , Xu W.G.
Published: November 2008

Nd‐doped ZnO nanoparticles with different Nd contents were synthesized and characterized by X‐ray power diffraction, UV–vis, X‐ray photoelectron spectroscopy, infrared spectra, and high‐resolution transmission electron microscope. The results revealed that the particle size of Nd‐doped ZnO is much smaller than that of pure ZnO, which is critical for enhancing the photocatalytic activity. The photocatalytic activity of Nd‐doped ZnO with different Nd loading was compared with pure ZnO, and the effects of the solution pH in the degradation of C.I. Reactive Blue 4 were studied. It was observed that the rate of degradation of C.I. Reactive Blue 4 over Nd‐doped ZnO increases with increasing Nd loading up to 2.5 mol % and then decreases. The rate of degradation reaches a maximum value approximately at pH = 11 and then decreases. Among the catalyst studied, the 2.5 mol % Nd‐doped ZnO was the most active, and the degradation rate of C.I. Reactive Blue 4 could reach 91.25% in 90 min when the concentration of the catalyst was 0.1 g/L. © 2008 American Institute of Chemical Engineers Environ Prog, 2009
Longitudinal distributions of river flood power: the combined automated flood, elevation and stream power (CAFES) methodology
Authors: Barker Douglas M. , Lawler Damian M. , Knight Donald W. , Morris David G. , Davies Helen N. , Stewart Elizabeth J.
Published: November 2008

Stream power can be an extremely useful index of fluvial sediment transport, channel pattern, river channel erosion and riparian habitat development. However, most previous studies of downstream changes in stream power have relied on field measurements at selected cross‐sections, which are time consuming, and typically based on limited data, which cannot fully represent important spatial variations in stream power. We present here, therefore, a novel methodology we call CAFES (combined automated flood, elevation and stream power), to quantify downstream change in river flood power, based on integrating in a GIS framework Flood Estimation Handbook systems with the 5 m grid NEXTMap Britain digital elevation model derived from IFSAR (interferometric synthetic aperture radar). This provides a useful modelling platform to quantify at unprecedented resolution longitudinal distributions of flood discharge, elevation, floodplain slope and flood power at reach and basin scales. Values can be resolved to a 50 m grid. CAFES approaches have distinct advantages over current methodologies for reach‐ and basin‐scale stream power assessments and therefore for the interpretation and prediction of fluvial processes. The methodology has significant international applicability for understanding basin‐scale hydraulics, sediment transport, erosion and sedimentation processes and river basin management. Copyright © 2008 John Wiley & Sons, Ltd.
A food security approach to analyse irrigation efficiency improvement demands at the country level
Authors: Mu Jianxin , Khan Shahbaz , Hanjra Munir A. , Wang Hao
Published: November 2008

This paper used a food security approach in an attempt to analyse how much food will be needed in China in 2030 and 2050; to produce that amount of food, at what scale should the irrigation area expand; to realize the development of that irrigation area, how much should the irrigation efficiency improve with the total irrigation water use kept within the range of the goals set up by the Chinese government; and what water management options should be adopted to improve the irrigation efficiency? The results show that there was US$3.1 billion worth of grain deficit in the year 2000 and there will be US$10.8 billion and US$3.2 billion of grain deficits in 2030 and 2050 respectively at the medium population growth and irrigation area development scenarios. To meet the total food demand in 2030 and 2050, 138 and 109 million ha of gross irrigated area are needed, which required 69 and 85% of surface water and groundwater irrigation efficiencies in 2030 and 63 and 83% of surface water and groundwater irrigation efficiencies in 2050 provided the total irrigation diversion is kept around 420 and 400 billion m3 respectively. Copyright © 2008 John Wiley & Sons, Ltd.
Ultrasound increased BMP‐2 expression via PI3K, Akt, c‐Fos/c‐Jun, and AP‐1 pathways in cultured osteoblasts
Authors: Hou Chun‐Han , Hou Sheng‐Mou , Tang Chih‐Hsin
Published: November 2008

It has been shown that ultrasound (US) stimulation accelerates fracture healing in the animal models and in clinical studies. Bone morphogenetic protein (BMP) is a crucial mediator in bone formation during fracture healing. Here we found that US stimulation increased BMP‐2 expression but not other BMPs. US induced BMP‐2 transcription is mediated by AP‐1 element but not estrogen receptor response element and GC‐rich Sp1 response element. Pretreatment of osteoblasts with phosphatidylinositol 3‐kinase (PI3K) inhibitor (Ly294002) and Akt inhibitor inhibited the potentiating action of US; these results were further substantiated by transfecting with the dominant negative mutants of p85 and Akt. US stimulation increased the phosphorylation of p85 subunit of PI3K and serine 473 of Akt. Transfection of osteoblasts with c‐Fos and c‐Jun antisense oligonucleotide also reduced US‐increased BMP‐2 expression. US‐increased the binding of c‐Fos and c‐Jun to the AP‐1 element on the BMP‐2 promoter and the enhancement of AP‐1 luciferase activity was inhibited by Ly294002 and Akt inhibitor. Our results suggest that US increased BMP‐2 expression in osteoblasts via the PI3K, Akt, c‐Fos/c‐Jun, and AP‐1 signaling pathway. J. Cell. Biochem. 106: 7–15, 2009. © 2008 Wiley‐Liss, Inc.
Upregulation of Fas and FasL in Taiwan cobra phospholipase A2‐treated human neuroblastoma SK‐N‐SH cells through ROS‐ and Ca2+‐mediated p38 MAPK activation
Authors: Chen Ku‐Chung , Kao Pei‐Hsiu , Lin Shinne‐Ren , Chang Long‐Sen
Published: November 2008

The aim of the present study is to elucidate the signaling pathway involved in death of human neuroblastoma SK‐N‐SH cells induced by Naja naja atra phospholipase A2 (PLA2). Upon exposure to PLA2, p38 MAPK activation, ERK inactivation, ROS generation, increase in intracellular Ca2+ concentration, and upregulation of Fas and FasL were found in SK‐N‐SH cells. SB202190 (p38MAPK inhibitor) suppressed upregulation of Fas and FasL. N‐Acetylcysteine (ROS scavenger) and BAPTA‐AM (Ca2+ chelator) abrogated p38 MAPK activation and upregulation of Fas and FasL expression, but restored phosphorylation of ERK. Activated ERK was found to attenuate p38 MAPK‐mediated upregulation of Fas and FasL. Deprivation of catalytic activity could not diminish PLA2‐induced cell death and Fas/FasL upregulation. Moreover, the cytotoxicity of arachidonic acid and lysophosphatidylcholine was not related to the expression of Fas and FasL. Taken together, our results indicate that PLA2‐induced cell death is, in part, elicited by upregulation of Fas and FasL, which is regulated by Ca2+‐ and ROS‐evoked p38 MAPK activation, and suggest that non‐catalytic PLA2 plays a role for the signaling pathway. J. Cell. Biochem. 106: 93–102, 2009. © 2008 Wiley‐Liss, Inc.
Feline herpesvirus‐1 down‐regulates MHC class I expression in an homologous cell system
Authors: Montagnaro S. , Longo M. , Pacilio M. , Indovina P. , Roberti A. , De Martino L. , Iovane G. , Pagnini U.
Published: November 2008

Cytotoxic T lymphocytes (CTLs) are an essential component of the immune defense against many virus infections. CTLs recognize viral peptides in the context of the major histocompatibility complex (MHC) class I molecules on the surface of infected cells. Many viruses have evolved mechanisms to interfere with MHC class I expression as a means of evading the host immune response. In the present research we have studied the effect of in vitro Feline Herpesvirus 1 (FeHV‐1) infection on MHC class I expression. The results of this study demonstrate that FeHV‐1 down regulates surface expression of MHC class I molecules on infected cells, presumably to evade cytotoxic T‐cell recognition and, perhaps, attenuate induction of immunity. Sensitivity to UV irradiation and insensitivity to a viral DNA synthesis inhibitor, like phosphonacetic acid, revealed that immediate early or early viral gene(s) are responsible. Use of the protein translation inhibitor cycloheximide confirmed that an early gene is primarily responsible. J. Cell. Biochem. 106: 179–185, 2009. © 2008 Wiley‐Liss, Inc.
A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein
Authors: Kiyota Yasuomi , Hasegawa Jun‐Ya , Fujimoto Kazuhiro , Swerts Ben , Nakatsuji Hiroshi
Published: November 2008

In this article, we present the multicore (mc) QM/MM method, a QM/MM method that can optimize the structure of chromophore aggregate in protein. A QM region is composed of the sum of the QM subregions that are small enough to apply practical electronic structure calculations. QM/MM energy gradient calculations are performed for each QM subregion. Several benchmark examinations were carried out to figure out availabilities and limitations. In the interregion distances of more than 3.5–4.0 Å, the mcQM/MM energy gradient is very close to that obtained by the ordinary QM/MM method in which all the QM subregions were treated together as a single QM region. In van der Waals complex, the error exponentially drops with the distance, while the error decreases slowly in a hydrogen bonding complex. On the other hand, the optimized structures were reproduced with reasonable accuracy in both cases. The computational efficiency is the best advantage in the mcQM/MM approach, especially when the QM region is significantly large and the QM method used is computationally demanding. With this approach, we could optimize the structures of a bacterial photosynthetic reaction center protein in the ground and excited states, which consists of more than 14,000 atoms. © 2008 Wiley Periodicals, Inc. J Comput Chem 2009
Evaluation of electroosmotic drag coefficient of water in hydrated sodium perfluorosulfonate electrolyte polymer
Authors: Yan Liuming , Shao Changle , Ji Xiaobo
Published: November 2008

The electroosmotic drag coefficient of water molecules in hydrated sodium perfluorosulfonate electrolyte polymer is evaluated on the basis of the velocity distribution functions of the sodium cations and water molecules with an electric field applied using molecular dynamics simulations. The simulation results indicate that both velocity distribution functions of water molecules and of sodium cations agree well with the classic Maxwellian velocity distribution functions when there is no electric field applied. If an electric field is applied, the distribution functions of velocity component in directions perpendicular to the applied electric field still agree with the Maxwellian velocity distribution functions but with different temperature parameters. In the direction of the applied electric field, the electric drag causes the velocity distribution function to deviate from the Maxwellian velocity distribution function; however, to obey the peak shifted Maxwellian distribution function. The peak shifting velocities coincide with the average transport velocities induced by the electric field, and could be applied to the evaluation of the electroosmotic drag coefficient of water. By evaluation of the transport velocities of water molecules in the first coordination shells of sodium cations, sulfonate anion groups, and in the bulk, it is clearly shown that the water molecules in the first coordination shell of sodium cations are the major contribution to the electroosmotic drag and momentum transfer from water molecules within the first coordination shell to the other water molecules also contributes to the electroosmotic drag. © 2008 Wiley Periodicals, Inc. J Comput Chem 2009
The use of platelets to affect functional healing of an anterior cruciate ligament (ACL) autograft in a caprine ACL reconstruction model
Authors: Spindler Kurt P. , Murray Martha M. , Carey James L. , Zurakowski David , Fleming Braden C.
Published: November 2008

Many anterior cruciate ligament (ACL) reconstructions have increased laxity postoperatively. We hypothesized that enhancing an ACL graft with a collagen‐platelet composite (CPC) would improve knee laxity and graft structural properties. We also hypothesized the platelet concentration in the CPC would affect these parameters. Twelve goats underwent ACL reconstruction with autologous patellar tendon graft. In six goats, a collagen‐platelet composite was placed around the graft (CPC group). In the remaining six goats, the collagen scaffold only was used (COLL group). Three goats were excluded due to complications. After 6 weeks in vivo, anterior–posterior (AP) laxity and tensile properties of the ACL reconstructed knees were measured and normalized against the contralateral intact knee. At a knee flexion angle of 30°, the average increase in AP laxity was 40% less in the CPC group than the COLL group (p = 0.045). At 60°, the AP laxity was 30% less in the CPC group, a difference that was close to statistical significance (p = 0.080). No differences were found between treatment groups with respect to the structural properties (p > 0.30). However, there were significant correlations between serum platelet concentration and AP laxity (R2 = 0.643; p = 0.009), maximum load (R2 = 0.691; p = 0.006), and graft stiffness (R2 = 0.840; p < 0.001). In conclusion, use of a CPC to enhance healing of an allograft ACL reconstruction inversely correlated with early sagittal plane laxity and the systemic platelet count was highly predictive of ACL reconstruction graft strength and stiffness at 6 weeks. These findings emphasize the importance of further research on delineating the effect of platelets in treating of ACL injuries. © 2008 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 27: 631–638, 2009
Effects of organic and conventional production systems on quality and nutritional parameters of processing tomatoes
Authors: Pieper Joy Rickman , Barrett Diane M
Published: November 2008

BACKGROUND: The impact of organic and conventional production systems on quality and nutritional parameters of fruits and vegetables is still under discussion. The objective of this study is to determine whether the production system has a significant effect on the quality and nutritional content of one variety of processing tomatoes grown on a commercial scale by comparing three different growers for two production years.

RESULTS: Conventional tomatoes appeared to be more mature at time of harvest as determined by visual inspection of color. Total and soluble solids were significantly higher and consistency was greater in organic tomatoes. Differences in nutrient content were not statistically significant between production systems. Glutamate, glutamine, and tyrosine levels were significantly higher in conventional tomatoes, as were total nitrogen and ammonium concentrations.

CONCLUSION: Results from this study show that nutritional and quality parameters vary greatly by grower, production system, and year for the same tomato cultivar. Significantly higher average soluble solids content and consistency in organic tomatoes are especially important to the processing tomato industry. The apparent slower development of organic tomatoes may be responsible for many of the significant findings in this study and may explain some of the conflicting reports in previous literature. Copyright © 2008 Society of Chemical Industry
Distinguishing a protected geographical indication vegetable (Almagro eggplant) from closely related varieties with selected morphological traits and molecular markers
Authors: Muñoz‐Falcón Julio E , Prohens Jaime , Vilanova Santiago , Ribas Francisco , Castro Angel , Nuez Fernando
Published: November 2008

BACKGROUND: Certification of the authenticity of local landraces having a Protected Geographical Indication (PGI) status is essential when fake exotic varieties can be used to replace authentic local varieties. The Almagro eggplant (Solanum melongena) is a landrace used for making pickle products recognized by PGI status. Other pickling varieties from the region of Andalusia that are closely related have been detected in fields of the Almagro region. We have studied the diversity of Almagro and Andalusian accessions with morphological traits and molecular markers (amplified fragment length polymorphisms (AFLPs) and simple sequence repeats (SSRs)) with the aim of obtaining a characteristic fingerprint of the Almagro eggplant.

RESULTS: Almagro eggplants have smaller plant parts and greater prickliness than Andalusian eggplants. No overlap in the ranges of variation was found between Almagro and Andalusian accessions for three traits (fruit pedicel width at the proximal end, fruit calyx length, and fruit calyx prickles). AFLP characterization showed that Almagro and Andalusian accessions are genetically diverse and share a common genetic background. On the other hand, SSR, allowed a clear distinction of Almagro and Andalusian varieties, and for two SSRs we found alleles exclusive of Almagro eggplant and universal to all Almagro accessions.

CONCLUSION: By using selected morphological descriptors and specific molecular markers we have been able to distinguish the PGI Almagro eggplant from closely related varieties. SSRs have proved useful for detecting differences between the closely related Almagro and Andalusian accessions. The approach followed by us can be used for the protection and enhancement of other PGI vegetable crops. Copyright © 2008 Society of Chemical Industry
Separation and identification of enzymatically prepared dephosphorylated products of myo‐inositolhexakisphosphate using LC‐MS
Authors: Vats Purva , Bhushan Bharat , Chakarborti Asit K. , Banerjee Uttam C.
Published: November 2008

LC‐MS technique described here is a new way for the separation and direct determination of UV–Vis insensitive inositol phosphates (InsP2‐InsP6). This circumvents the need of radioisotopic labeling and post‐column derivatization techniques. The method involves separation of various enzymatically dephosphorylated derivatives of InsP6 on C18‐column using MeOH/H2O (30:70 v/v) and their identification using electron spray ionization MS in positive ion mode (+pESI‐MS). The LC‐MS studies revealed that the purified phytase from Aspergillus niger van Teighem hydrolyzes InsP6 in a sequential manner leading to InsP2 (InsP2·2Na, tR 4.4–4.54 min, base peak m/z 382.9) as the end product.
Enantioseparation of esbiothrin by cyclodextrin‐modified microemulsion and micellar electrokinetic chromatography
Authors: Chu Bao‐Lin , Guo Bao‐Yuan , Wang Zhihua , Lin Jin‐Ming
Published: November 2008

A comparison between chiral cyclodextrin‐modified microemulsion electrokinetic chromatography (CD‐MEEKC) and cyclodextrin‐modified micellar electrokinetic chromatography (CD‐MEKC) for the enantiomeric separation of esbiothrin was carried out. For both methods, the separation conditions were optimized by varying CD types and concentration, running buffer pH and compositions, organic modifiers, and temperature. The optimal CD‐MEEKC conditions were 0.8% n‐heptane, 2.3% SDS, 6.6% n‐butanol, 90.3% 10 mM sodium tetraborate containing 3% (w/v, the ratio of CD mass to microemulsion volume) methyl‐β‐cyclodextrin, pH 10, 25°C. The optimized CD‐MEKC conditions were 3.3% SDS, 96.7% 10 mM sodium tetraborate containing 5% (w/v) β‐CD, pH 10, 25°C. The difference in physicochemical properties of the buffer and CDs resulted in different optimal CD type. The competitive distribution between the microemulsion (or micelle) and chiral CD contributed to the chiral separation. Both methods provided excellent separation (Rs ∼︁ 3) with similar migration time (ca. 15 min). CD‐MEEKC provided higher separation efficiencies (>300000) than CD‐MEKC (>200000). The LODs for CD‐MEEKC and CD‐MEKC were 4.7 μg/mL and 3.2 μg/mL, respectively. The RSDs of migration time and peak area for CD‐MEEKC were slightly higher than for CD‐MEKC. Both the demonstrated CD‐MEEKC and CD‐MEKC methods provided high efficiencies, low LODs, and reproducible enantioseparations of esbiothrin.
Tourism activity, terrorism and political instability within the commonwealth: the cases of Fiji and Kenya
Authors: Fletcher John , Morakabati Yeganeh
Published: November 2008

This paper discusses the effects of terrorism and political unrest on the level of tourism activities in two developing countries that are a part of the Commonwealth, Kenya and Fiji. The paper explores the nature of the attacks and their impacts on the case studies in terms of the effects on the number of tourism arrivals and the volume of receipts. The responses of the governments, the media and the international communities are also examined to see if there are any guidelines to the likely magnitude and duration of the effects. The selection of case studies was limited to developing countries that are also members of the Commonwealth and which have had severe political instability or cases of terrorist attacks, or both. In so doing the paper observes the relationship that exists between the changes in arrivals and the changes in tourism receipts as a result of the occurrence of political/terrorist events. Comparisons are made between the effects on arrivals and receipts and the attempted recovery of both destinations. Although there is some commonality found in the results, the evidence of such a strong stable relationship is by no means conclusive. However, the results do suggest that political events such as a coup and internal political problems have far more severe impacts on the level of tourism activity than a low‐to‐medium, one‐off terrorist attack. Copyright © 2008 John Wiley & Sons, Ltd.
The Energetics of Large Deformations of a Single Polyimide Molecular Chain: DFT and MO Calculations
Authors: Fujinami Akinori , Ogata Shigenobu , Kimizuka Hajime , Shibutani Yoji
Published: November 2008

The large‐deformation energetics of a single molecular chain of the rod‐like polyimide PMDA‐PDA was investigated using DFT, ab initio MO and semi‐empirical MO methods. The force/displacement curves were calculated from tensile testing simulations along the axis of the molecular chain, allowing a discussion of the distribution and change of local strain of the molecular chain. The deformation behavior of a single PMDA‐PDA molecular chain under finite deformations as functions of bending angle and dihedral angle between PMDA and PDA groups are compared. It is found that the semi‐empirical MO calculations provide sufficient accuracy to express the energetics of large deformations except for compressive deformation.

magnified image
Common polymorphisms in the vascular endothelial growth factor gene and colorectal cancer development, prognosis, and survival
Authors: Dassoulas Konstantinos , Gazouli Maria , Rizos Spyros , Theodoropoulos George , Christoni Zoi , Nikiteas Nikolaos , Karakitsos Petros
Published: November 2008

Angiogenesis plays an important role in growth, progression, and metastasis of tumors. The most important regulator of angiogenesis is vascular endothelial growth factor (VEGF). VEGF expression has been associated with advance stage and poor survival of several cancers. In the present study we evaluated the association of functional polymorphisms in the VEGF gene with colorectal cancer development, prognosis, and survival. Three hundred twelve consecutive patients with surgically treated colorectal adenocarcinoma were enrolled in the present study. The genomic DNA was extracted from paraffin‐embedded tissue and five VEGF (−2578C>A, −1154G>A, −634G>C, −460T>C, and +936C>T) gene polymorphisms were determined using a polymerase chain reaction‐restriction fragment length polymorphism assay. VEGF −2578C>A, −1154G>A, −634G>C, −460T>C, and +936C>T genotype and allele frequencies were similar among patients and controls. There was a trend showing carriers of the −2578A and +936T alleles more frequent among patients with CRC, but these differences did not reach statistical significance. Furthermore, no correlation was found between all these variants and tumor characteristics like size, histological grading, positive regional lymph node metastases or tumor stage. However, the −2578AA, −634CC, and +936TT genotypes found to be related with a significantly lower overall survival in our study. In conclusion, VEGF gene polymorphisms were found to be an independent prognostic marker for Greek CRC patients. © 2008 Wiley‐Liss, Inc.
The surprising benefits of a parallel universe
Authors: La Manna Manfredi M.A.
Published: November 2008

Suppose that the successful completion of a project requires performing n tasks, each of which has a probability of success p. The paper establishes under what conditions it may be profitable to engage in parallel multi‐tasking, i.e. tackling each task by following two independent routes. It is found that for ∀n>1 parallel multi‐tasking is profitable for a wide range of parameters when costs are linear and is always profitable for convex costs. Copyright © 2008 John Wiley & Sons, Ltd.
Clinical pattern and risk factors for dyskinesias following fetal nigral transplantation in Parkinson's disease: A double blind video‐based analysis
Authors: Olanow C. Warren , Gracies Jean‐Michel , Goetz Christopher G. , Stoessl A. Jon , Freeman Thomas , Kordower Jeffrey H. , Godbold James , Obeso Jose A.
Published: November 2008

The objective of this study is to assess dyskinesias in 34 Parkinson's disease patients randomized to receive bilateral fetal nigral transplantation with 4 donors per side (12), 1 donor per side (11), or placebo (11). Videotape recordings were performed at the baseline, 3, 6, 12, 18, and 24 month visits during the “practically defined off” (12 hours after last evening dopaminergic therapy) and “best on” (best response following morning dopaminergic therapy) states. Videotapes were analyzed in random order by a blinded investigator. Dyskinesias during “best on” (on‐medication dyskinesia) were observed in all, but 1 patient at baseline, and in all patients at each subsequent visit. There were no differences between groups. No patient had dyskinesia at baseline in “practically‐defined off” (“off‐medication” dyskinesia). Following transplantation, off‐medication dyskinesia was observed in 13 of 23 patients, but not in any patient in the placebo group (P = 0.019). There was no difference in dyskinesia score between patients in the 1 and 4 donor groups. On‐medication dyskinesias were typically generalized and choreiform, whereas off‐medication dyskinesias were usually repetitive, stereotypic movements in the lower extremities with residual Parkinsonism in other body regions. Off‐medication dyskinesias are common following transplantation and may represent a prolonged form of diphasic dyskinesias. © 2008 Movement Disorder Society
Two‐year follow‐up on the effect of unilateral subthalamic deep brain stimulation in highly asymmetric Parkinson's disease
Authors: Kim Han‐Joon , Paek Sun Ha , Kim Ji‐Young , Lee Jee‐Young , Lim Yong Hoon , Kim Dong Gyu , Jeon Beom S.
Published: November 2008

Although bilateral subthalamic deep brain stimulation (STN DBS) provides greater relief from the symptoms of Parkinson's disease (PD) than unilateral STN DBS, it has been suggested that unilateral STN DBS may be a reasonable treatment option in selected patients, especially those with highly asymmetric PD. In previous studies on the effect of unilateral STN DBS, the asymmetry of PD symptoms was not prominent and the mean follow‐up durations were only 3 to 12 months. In this study, we report our findings in a series of 8 patients with highly asymmetric PD who were treated with unilateral STN DBS and were followed for 24 months. Serial changes in Unified Parkinson's Disease Rating Scale (UPDRS) motor score and subscores in the ipsilateral, contralateral, and axial body parts were analyzed. Unilateral STN DBS improved the UPDRS motor score and the contralateral subscore in the on‐medication state for 5 nonfluctuating patients and in the off‐medication state for 3 fluctuating patients. However, the ipsilateral subscore progressively worsened and reversed asymmetry became difficult to manage, which led to compromised medication and stimulator adjustment. At 24 months, all the patients were considering the second‐side surgery. Our results suggest that bilateral STN DBS should be considered even in highly asymmetric PD. © 2008 Movement Disorder Society
A triple‐mode bandpass filter using a modified circular patch resonator
Authors: Serrano Ariana L. C. , Correra Fatima Salete
Published: November 2008

This article presents a triple‐mode bandpass filter using a modified circular patch resonator. Etched slots in the resonator split the TM degenerate fundamental modes and also perturb the TM mode, approximating their resonant frequencies to form a third‐order bandpass filter. A 2.42 GHz centered filter was designed and fabricated. Experimental results showed a fractional bandwidth of 29%, return loss better than 16 dB, insertion loss of 0.5 dB, and good second harmonic band rejection. The filter exhibited a size reduction of 51% compared with a filter using an unperturbed circular patch resonator at the same frequency. © 2008 Wiley Periodicals, Inc. Microwave Opt Technol Lett 51: 178–182, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/mop.23950
The conversion to radio‐frequency from optical signal by applying optical technology for optical and ubiquitous communications of the future
Authors: Park Ki‐Hwan
Published: November 2008

A 95‐GHz continuous‐wave millimeter‐wave (MMW) was converted from optical signal by using optical technology for future optical and ubiquitous communications. The optical power of 22.5 mW was injected into optical waveguide in this experiment. The absolute power of the MMW signals measured after the MMW amplifier was about 13 dBm at 95 GHz. The spectral linewidth of the MMW signals was less than 1 kHz, and power fluctuation of the MMW was less than 1.3 dBm over the 75–95 GHz range. © 2008 Wiley Periodicals, Inc. Microwave Opt Technol Lett 51: 153–155, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/mop.23951