bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conformational space exploration of met‐ and Leu‐enkephalin using the mols method, molecular dynamics, and Monte Carlo simulation—a comparative study
Authors: Ramya L. , Gautham N. 
Published: September 2011

AbstractWe report here a comparative study of the molecular conformational energy landscape generated using the mutually orthogonal Latin squares (MOLS) method, molecular dynamics (MD), and Monte Carlo (MC) simulation. The MOLS method, as described earlier from our laboratory, uses an experimental design technique to rapidly and exhaustively sample the low energy conformations of a molecule. MD and MC simulations have been used to perform similar tasks. In the comparison reported here, the three methods were applied to a pair of neuropeptides, namely Met‐ and Leu‐enkephalin. A set of 1500 conformations of these enkephalins were generated using these methods with CHARMM22 force field, and the resulting samples were analyzed to determine the extent and nature of coverage of the conformational space. The results indicate that the MOLS method samples a larger number of possible conformations and identifies conformations closer to the experimental structures than the MD and MC simulations. © 2011 Wiley Periodicals, Inc. Biopolymers 97: 165–176, 2012.
A dynamic mathematical model for monoclonal antibody N‐linked glycosylation and nucleotide sugar donor transport within a maturing Golgi apparatus
Authors: Jimenez del Val Ioscani , Nagy Judit M. , Kontoravdi Cleo 
Published: September 2011

AbstractMonoclonal antibodies (mAbs) are one of the most important products of the biopharmaceutical industry. Their therapeutic efficacy depends on the post‐translational process of glycosylation, which is influenced by manufacturing process conditions. Herein, we present a dynamic mathematical model for mAb glycosylation that considers cisternal maturation by approximating the Golgi apparatus to a plug flow reactor and by including recycling of Golgi‐resident proteins (glycosylation enzymes and transport proteins [TPs]). The glycosylation reaction rate expressions were derived based on the reported kinetic mechanisms for each enzyme, and transport of nucleotide sugar donors [NSDs] from the cytosol to the Golgi lumen was modeled to serve as a link between glycosylation and cellular metabolism. Optimization‐based methodologies were developed for estimating unknown enzyme and TP concentration profile parameters. The resulting model is capable of reproducing glycosylation profiles of commercial mAbs. It can further reproduce the effect gene silencing of the FucT glycosylation enzyme and cytosolic NSD depletion have on the mAb oligosaccharide profile. All novel elements of our model are based on biological evidence and generate more accurate results than previous reports. We therefore believe that the improvements contribute to a more detailed representation of the N‐linked glycosylation process. The overall results show the potential of our model toward evaluating cell engineering strategies that yield desired glycosylation profiles. Additionally, when coupled to cellular metabolism, this model could be used to assess the effect of process conditions on glycosylation and aid in the design, control, and optimization of biopharmaceutical manufacturing processes. © 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2011
Issues in Safeguarding Refugee and Asylum‐seeking Children and Young People: Research and Practice
Authors: Cox Pat 
Published: September 2011

In this paper, the author describes and analyses undertaking a pilot study in which refugee or asylum‐seeking parents who have been drawn into social work safeguarding children procedures reflect upon their experiences. This study is located within the context of political, policy and social work safeguarding practice developments in the UK which are relevant to refugee and asylum‐seeking families. Interviews were undertaken with five refugee and asylum‐seeking parents and one carer, three support workers and one social worker, and three conference chairs. Although the sample is small, the findings from the pilot study reveal some significant commonalities between comments from all three groupings, as well as significant differences. These findings will be of interest to refugee and asylum‐seeking peoples, support workers, social workers, managers and policymakers and all who are concerned for the wellbeing of refugee and asylum‐seeking parents, children and young people. Copyright © 2011 John Wiley & Sons, Ltd.‘Significant commonalities between comments from all three groupings, as well as significant differences’
Adaptive lattice‐based light rendering of participating media
Authors: Wang Changbo , Li Chenhui , Dai Jinqiu , Li Yang 
Published: September 2011

ABSTRACTThe visual world around us displays a rich set of light effects because of translucent and participating media. It is hard and time consuming to render these effects with scattering, caustic, and shaft because of the complex interaction between light and different media. This paper presents a new rendering method based on adaptive lattice for lighting participating media of translucent materials such as marble, wax, and shaft light. Firstly, on the basis of the lattice‐based photon tracing model, multi‐scale hierarchical lattice was constructed by mixed lattice types sampling combined cubic Cartesian and face‐centered cubic with view‐dependent adaptive resolution. Then, an adaptive method to trace diffuse photons and marked specular photons with different phase functions was suggested. Multiple lights and heterogeneous materials were also considered here. Further, the mixed rendering method and GPU accelerate technology were introduced to render different light effects under different participating media. Copyright © 2011 John Wiley & Sons, Ltd.
Fluorescence of 1,2‐Diaminoanthraquinone and its Nitric Oxide Reaction Product within Macrophage Cells
Authors: Marín María J. , Thomas Paul , Fabregat Víctor , Luis Santiago V. , Russell David A. , Galindo Francisco 
Published: September 2011

AbstractNitric oxide (NO) is involved in many biological processes. Aromatic ortho‐diamine derivatives are commonly used in the fluorescence imaging of NO in living cells. ortho‐diamino (o‐diamino) compounds are believed to react with NO in an oxygenated medium leading to the formation of a triazole derivative. One such o‐diamino compound, 1,2‐diaminoanthraquinone (DAA), is a nontoxic probe for the detection of NO in living tissues and cells. The formation of the DAA triazole derivative (DAA‐TZ) upon reaction of DAA with NO/O2 within cells has not been demonstrated previously. The aim of this study was to confirm that DAA‐TZ is the species formed intracellularly when DAA reacts with NO in the presence of oxygen. The chemical synthesis and characterisation of DAA‐TZ was performed together with intracellular studies of DAA and DAA‐TZ. Raw 264.7 macrophages were loaded with the DAA or DAA‐TZ under conditions of no‐stimulation or stimulation with interferon‐γ and lipopolysaccharide to produce NO. Confocal microscopy was used to image the DAA‐loaded macrophage cells. Analysis of the emission spectra allowed precise discrimination of the fluorescence of each species in the macrophage cells, and confirmed the identity of DAA‐TZ as the intracellular reaction product between DAA and NO in the presence of oxygen.
The Chemistry and Biology of Trypanosomal trans‐Sialidases: Virulence Factors in Chagas Disease and Sleeping Sickness
Authors: Schauer Roland , Kamerling Johannis P. 
Published: September 2011

Abstracttrans‐Sialidases constitute a special group of the sialidase family. They occur in some trypanosome species and, in a unique reversible reaction, transfer sialic acids from one glycosidic linkage with galactose (donor) to another galactose (acceptor), to form (α2–3)‐sialyl linkages. Trypanosomes cause such devastating human diseases as Chagas disease in South America (Trypanosoma cruzi) or sleeping sickness in Africa (Trypanosoma brucei). The trans‐sialidases strongly contribute to the pathogenicity of the trypanosomes by scavenging sialic acids from the host or blood meal to coat the parasite surface; this aids their survival strategy in the insect′s intestine, and in the blood circulation or cells of the host, and serves to compromise the immune system of the human or animal host. American and African trypanosomes express trans‐sialidases at different stages of their vector/host development. They are transmitted to humans by insect vectors (tsetse fly or other insect “bug” species). trans‐Sialidase activity with varying linkage specificity has also been found in a few bacteria species and in human serum. trans‐Sialidases are of increasing practical importance for the chemo‐enzymatic synthesis of sialylated glycans. The search for appropriate inhibitors of trans‐sialidases and vaccination strategies is intensifying, as less toxic medicaments for the treatment of these widespread and often chronic tropical diseases are required.
The Binding Mode of Cladocoran A to the Human Group IIA Phospholipase A2
Authors: Monti Maria Chiara , Chini Maria Giovanna , Margarucci Luigi , Riccio Raffaele , Bifulco Giuseppe , Casapullo Agostino 
Published: September 2011

AbstractThe molecular basis for human group IIA phospholipase A2 inactivation by the marine natural product cladocoran A (CLD A) has been studied in order to elucidate its relevant anti‐inflammatory properties. Indeed, secretory phospholipases A2 are well‐known to be implicated in the pathogenesis of inflammation, such as rheumatoid arthritis, septic shock, psoriasis and asthma, thus the understanding of their inactivation mechanism could be useful for the development of new chemical classes of selective inhibitors. Our results, collected by a combination of biochemical approaches, advanced mass spectrometry and molecular modeling, suggest a competitive inhibition mechanism guided by a noncovalent molecular recognition event, and disclose the key role of the CLD A γ‐hydroxybutenolide ring in the chelation of the catalytic calcium ion inside the enzyme active site. Moreover, CLD A is able to react selectively with Ser82, although this covalent event seems to play a secondary role in terms of enzyme inhibition.
Two Pathways for Pyrrole Formation in Coumermycin A1 Biosynthesis: The Central Pyrrole Moiety Is Formed From L‐Threonine
Authors: Siebenberg Stefanie , Burkard Nadja , Knuplesch Anna , Gust Bertolt , Grond Stephanie , Heide Lutz 
Published: September 2011

AbstractCoumermycin A1 is an aminocoumarin antibiotic produced by Streptomyces rishiriensis. It contains three pyrrole rings, that is, two terminal 5‐methyl‐pyrrole‐2‐carboxyl moieties and a central 3‐methylpyrrole‐2,4‐dicarboxylic acid moiety. The biosynthesis of the terminal pyrrole moieties has been elucidated previously. However, the biosynthetic precursors of the central pyrrole moiety have remained unknown, and none of the genes or enzymes involved in its formation has been identified. We now show that five genes, contained in a contiguous 4.7 kb region within the coumermycin biosynthetic gene cluster, are required for the biosynthesis of this central pyrrole moiety. Each of these genes was deleted individually, resulting in a strong reduction or an abolishment of coumermycin production. External feeding of the central pyrrole moiety restored coumermycin production. One of these genes shows similarity to L‐threonine kinase genes. Feeding of [U‐13C,15N]L‐threonine and 13C NMR analysis of the resulting compound unequivocally proved that threonine was incorporated intact into the central pyrrole (19 % enrichment) to provide the heterocyclic nitrogen as well as four of the seven carbons of this moiety. Therefore, this pyrrole is formed via a new, hitherto unknown biosynthetic pathway. A hypothesis for the reaction sequence leading to the central pyrrole moiety of coumermycin A1 is presented.
Deweyan democratic learning communities and student marginalization
Authors: Harbour Clifford P. , Ebie Gwyn 
Published: September 2011

AbstractCommunity college faculty and staff committed to the eradication of student marginalization may use a variety of contemporary strategies to address this form of oppression. We seek to complement these strategies by showing how the work of John Dewey may be used to justify the creation and development of democratic learning communities fundamentally opposed to student marginalization.
Noncredit to credit transitioning matters for adult ESL learners in a California community college
Authors: Becker Liza A. 
Published: September 2011

AbstractThis chapter raises awareness of the role that educational and socioeconomic background plays in the perceived sense of marginality and the decision‐making process for adult immigrant learners who are preparing to transition from the highest levels of noncredit ESL to credit programs and postsecondary degree pathways.
Angioscopy study from a large patient population comparing sirolimus‐eluting stent with biodegradable versus durable polymer
Authors: Chen Shao‐Liang , Xu Tian , Zhang Jun‐Jie , Ye Fei , Hu Zuo‐Ying , Tian Nai‐Liang , Zhang Yao‐Jun , Kotani Junichi , Zhang Jun‐Xia 
Published: September 2011

AbstractAims: This study aimed to compare the neointimal coverage (NIC), subclinical thrombus, color of plaque underneath the stent at 9‐month after implantation of sirolimus‐eluting stent (SES) either with durable or with biodegradable polymer (BDPM). Methods: A total of 175 patients were assigned as Cypher (n = 81, 97 stents with durable polymer) and Excel (n = 94, 112 stents with BDPM) stent at 9‐month after indexed procedure. NIC was classified from grade 0–3. Color of plaque was divided into white, light‐yellow, yellow, and dark yellow. Thrombus was diagnosed as white or red material with cotton‐like or ragged appearance. Incomplete NIC (grade 0/1) circled by a blush was termed by “inflaming.” Results: There were significant differences in unstable angina (90.5 vs. 52.4%, P = 0.015), previous myocardial infarction (33.3 vs. 4.0%, P = 0.045) and left ventricular eject fraction (55.2 ± 7.8 vs. 62.6 ± 6.3%, P = 0.021) between the Excel and Cypher groups. The minimal‐ and maximal‐NIC grades in the Cypher group were 0.67 ± 0.58 and 2.29 ± 0.46, respectively, when compared with 1.45 ± 0.67 (P < 0.001) and 2.64 ± 0.49 (P = 0.023) in the Excel group. The percentage of yellow plaque, thrombus, “inflaming” and NIC grade of 0 in the Excel and Cypher groups, respectively, were as follows: 8.0 vs. 26.8% (P = 0.031), 9.8 vs. 32.9% (P = 0.024), 8.0 vs. 38.1% (P = 0.017), and 38.1 vs. 0% (P < 0.001). Of the stents with “inflaming,” 63.6% had thrombus when compared with 20.1% of the non‐erosion stents (P < 0.001). Overlapping segments had the lowest NIC grades and more “inflaming” demonstrating a significant difference between Cypher vs. Excel stents. NIC grade was positively correlated with thrombus. Conclusions: SES with BDPM has improved NIC resulting in less yellow plaque, thrombus, and “inflaming.” Overlapping segments had the lowest NIC grade and more “inflaming.” © 2012 Wiley Periodicals, Inc.
Predictors of reintervention in neonates with critical pulmonary stenosis or pulmonary atresia with intact ventricular septum
Authors: Shaath Ghassan , Al Mutairi Mansour , Tamimi Omar , Alakhfash Ali , Abolfotouh Mostafa , Alhabshan Fahad 
Published: September 2011

AbstractObjectives: Describe the short and midterm outcome and to determine the predictors of reintervention in neonates with critical pulmonary stenosis (PS) or pulmonary atresia with intact ventricular septum (PA/IVS). Background: The transcatheter intervention for critical PS and PA/IVS resulted in improvement in the patient's survival and the quality of life. The procedure is not free of complications and there is still a significant rate of reintervention. Method: All neonates with critical PS or PA/IVS who underwent interventional cardiac catheterization between November 2004 and January 2009 were reviewed retrospectively. We performed a comparison between those who required reintervention and those who did not, to identify the predictors of reintervention. Results: Forty‐three neonates were included, 23 (53.5%) had critical PS and 20 (46.5%) had PA/IVS. Twenty‐six patients (60%) were males, the mean age was 11 ± 8 days, and the mean weight was 3.2 ± 0.6 kg. Two patients died (4.6%). The mean follow‐up period was 19 ± 13 months for 42 patients. Fifteen patients (36%) required reintervention, 11 of them (73%) had PA/IVS, and 4 (27%) had critical PS. Reintervention was more in patients with PA/IVS than those with critical PS (P = 0.003). Other predictors for reintervention included hospital stay ≥ 7.5 days (P = 0.001) and tricuspid valve regurgitation peak gradient in day one post first intervention (TR1) ≥ 43 mm Hg (P = 0.03). Conclusion: Interventional cardiac catheterization shows favorable outcome for patients with critical PS and PA/IVS. Predictors for reintervention included the diagnosis of PA/IVS, hospital stay ≥7.5 days after first intervention and TR1 gradient ≥ 43 mm Hg. © 2011 Wiley Periodicals, Inc.
Left ventricular noncompaction and aneurysm revealed by left ventriculography
Authors: Ionescu Costin Nicolae , Turcot Diane 
Published: September 2011

AbstractLeft ventriculography (LVG) is sometimes not performed during cardiac catheterization when results of prior noninvasive tests are available. We present a rare case of left ventricular noncompaction coexisting with left ventricular aneurysm diagnosed during cardiac catheterization. LVG could provide additional information in patients with nonobstructive coronary artery disease and decreased ejection fraction on noninvasive tests. © 2011 Wiley Periodicals, Inc.
Aortic valve annulus diameter in chinese patients with severe calcific aortic valve stenosis: Implications for transcatheter aortic valve implantation
Authors: Pan Wenzhi , Zhou Daxin , Pan Cuizhen , Ge Junbo 
Published: September 2011

AbstractObjectives: The objective of the study was to describe the distribution and determine the predictors of aortic valve annulus diameter (AVAD) in Chinese patients with severe calcific aortic valve stenosis (CAS). Background: AVAD in Chinese patients with CAS has not been reported. Predictors of AVAD in patients with CAS are unclear. Methods: One hundred elderly patients (≥60 years) with severe CAS were included in the study. AVAD in all patients was measured by transthoracic echocardiograph (AVAD‐TTE) and in 74 patients of them was measured intra‐operatively (AVAD‐intra). Results: The intraclass correlation coefficient (ICC) between AVAD‐TTE and AVAD‐intra was 0.81 (95% CI: 0.72–0.88). The differences between AVAD‐TTE and AVAD‐intra ranged from −3 to 3 mm and were ≤≤ 2mm in 91.9% (68/74) of patients. The intra‐observer ICC for TTE was 0.87 (95% CI: 0.74–0.94). Mean AVAD in the whole population was 21.80 ± 2.09 (17–27) mm. 11% of cases had an AVAD < 20 mm, 78% had an AVAD between 20 and 24 mm, and 11% had an AVAD between 25 and 27 mm. The correlation between AVAD and height (r = 0.476, P < 0.001) was stronger than that between AVAD and weight (r = 0.215, P = 0.034) or body surface area (BSA) (r = 0.358, P < 0.001). Multivariate regression showed that height, sex, and age but not BSA were independent predictors of AVAD (all P < 0.05). Conclusion: Most of Chinese patients with CAS can be candidates for transcatheter aortic valve implantation procedure in terms of AVAD, whereas more sizes of prosthetic valves need to be developed. Sex, age, and especially height, but not BAS, are independent predictors of AVAD in patients with CAS. © 2011 Wiley Periodicals, Inc.
The role of embolic protection devices during carotid stenting prior to cardiac surgery in asymptomatic patients: Empty filters?
Authors: Van der Heyden Jan , Wolters Frank J. , Garin Nathalie , Blant Snezana Andrejevic , Inglin Marc , Bal E.T. , Suttorp Jan‐Maarten 
Published: September 2011

AbstractObjectives: The purpose of this study was to analyze the debris captured in the distal protection filters used during carotid artery stenting (CAS). Background: CAS is an option available to high‐risk patients requiring revascularization. Filters are suggested for optimal stroke prevention during CAS. Methods: From May 2005 to June 2007, filters from 59 asymptomatic patients who underwent CAS were collected and sent to a specialized laboratory for light‐microscope and histological analysis. Peri‐ and postprocedural outcomes were assessed during 1‐year follow‐up. Results: On the basis of biomedical imaging of the filter debris, the captured material could not be identified as embolized particles from the carotid plaque. On histological analysis the debris consisted mainly of red blood cell aggregates and/ or platelets, occasionally accompanied by granulocytes. We found no consistent histological evidence of embolized particles originating from atherosclerotic plaques. Post‐procedure, three neurological events were reported: two (3.4%) transient ischemic attacks (TIA) and one (1.7%) ipsilateral minor stroke. Conclusion: The filters used during CAS in asymptomatic patients planned for cardiac surgery often remained empty. These findings may be explained by assuming that asymptomatic patients feature a different atherosclerotic plaque composition or stabilization through antiplatelet medication. Larger, randomized trials are clearly warranted, especially in the asymptomatic population. © 2012 Wiley Periodicals, Inc.
Pentadecyl Phenol‐ and Cardanol‐Functionalized Fluorescent, Room‐Temperature Liquid‐Crystalline Perylene Bisimides: Effect of Pendant Chain Unsaturation on Self‐Assembly
Authors: Bhavsar Ghanashyam A. , Asha S. K. 
Published: September 2011

AbstractA new perylene bisimide (PBI) building block based on pentadecyl phenol (PDP) or cardanol was developed, which upon esterification with 3,4,5‐tridodecyloxy gallate resulted in highly emissive, room‐temperature liquid‐crystalline (LC) molecules. The self assembly in solution was studied in detail by NMR spectroscopy, UV/Vis absorption, and fluorescence spectroscopy. In solution both PDP‐ and cardanol‐based PBI exhibited similar behavior. They were molecularly dissolved in chloroform (CHCl3) but formed rotationally displaced H‐type aggregates that emitted at 640 nm in methylcyclohexane (MCH). Surface morphology in dropcast films were characterized using microscopic techniques such as SEM, TEM, and atomic force microscopy (AFM). The liquid‐crystalline properties were studied using differential scanning calorimetry (DSC), polarized light microscopy (PLM), and variable‐temperature X‐ray (small‐angle X‐ray scattering (SAXS) and wide‐angle X‐ray diffraction (WXRD)) studies. Variable‐temperature X‐ray studies in the LC phase indicated strong π–π stacking interaction present in the PDP‐based PBI derivative, whereas the stacking was absent in the LC phase of the cardanol‐based PBI. The latter formed self‐organized structures of extremely short length due to the presence of cis double bonds in the C15 alkyl side chain, whereas the saturated alkyl side chain in PDP could pack efficiently, thereby resulting in nanofibers that were several micrometers in length.
A 1,2,3,4,5‐Pentaphenylferrocene‐Stoppered Rotaxane Capable of Electrochemical Anion Recognition
Authors: Evans Nicholas H. , Serpell Christopher J. , White Nicholas G. , Beer Paul D. 
Published: September 2011

AbstractThe chloride anion templated synthesis of an electrochemical anion sensory interlocked host system, prepared by the integration of redox‐active 1,2,3,4,5‐pentaphenylferrocene stopper groups into the structure of a rotaxane capable of binding anionic guests is described. Extensive 1H NMR and electrochemical titration investigations were used to probe the anion recognition and sensing properties of the rotaxane, compared to the axle and model system components. A characteristic electrochemical response was observed for chloride binding by the rotaxane, which was attributed to the topologically constrained cavity of the interlocked host molecule.