bluuebunny/crossref_metadata_2025_split huggingface dataset:
Early upper digestive tract side effects of zidovudine with tenofovir plus emtricitabine in West African adults with high CD4 counts
Authors: Ouattara Eric , Danel Christine , Moh Raoul , Gabillard Delphine , Peytavin Gilles , Konan Romuald , Carrou Jérome Le , Bohoussou Franck , Eholie Serge P , Anglaret Xavier 
Published: April 2013

IntroductionTenofovir (TDF) with emtricitabine (FTC) and zidovudine (ZDV) is a recognized alternate first‐line antiretroviral (ART) regimen for patients who cannot start treatment with non‐nucleoside reverse transcriptase inhibitors (NNRTIs). Clinical studies comparing TDF+FTC+ZDV to other regimens are lacking.MethodsParticipants in a trial of early ART in Côte d'Ivoire (Temprano ANRS 12136) started treatment with TDF/FTC plus either efavirenz (EFV) or ZDV (HIV‐1+2 dually infected patients and women refusing contraception or previously treated with nevirapine). We compared rates of upper digestive serious adverse events (sAEs) between TDF/FTC+EFV and TDF/FTC+ZDV patients during the first six months of treatment. sAEs were defined as either grade 3–4 AEs or persistent grade 1–2 AEs leading to drug discontinuation.ResultsA total of 197 patients (76% women, median CD4 count 395/mm3) started therapy with TDF/FTC, 126 with EFV and 71 with ZDV. During the first six months of ART, 94 patients had digestive AEs (nausea/vomiting) of any grade (EFV 36/126, 29%; ZDV 58/71, 82%, p<0.0001), including 20 sAEs (EFV 3/126, 5%; ZDV 17/71, 24%, p<0.0001). In‐patients on TDF/FTC+ZDV with digestive AEs, the median time to the first symptom was two days (IQR: 1–4). Plasma ZDV (Cmax) distributions and pill ZDV dosages were normal. Patients with digestive AEs had higher haemoglobin levels and tended to have higher body mass indices and more frequent past histories of cotrimoxazole (CTX) prophylaxis.ConclusionsWe observed an unexpectedly high rate of digestive sAEs in West African adults, mostly women, who started a 3‐nuc ART with TDF/FTC+ZDV in Côte d'Ivoire. These adults were participating in a trial of early ART and had much higher CD4 counts than those who currently routinely start ART in sub‐Saharan Africa. They all received CTX concomitantly with ZDV. We suggest that further early prescriptions of TDF+XTC+ZDV should be carefully monitored and that whenever possible, the rate of early upper digestive adverse events should be compared to that occurring in‐patients taking other drug regimens.Clinical Trial Number: NCT00495651.
Intended and Unintended Reverberation of Traditional and Pro‐age Commercials as a Function of Viewer Age
Authors: Bluemke Matthias , Degner Juliane , Lotz Julia , Ritzenhöfer Lisa , Shelliem Lisa 
Published: April 2013

SummaryPro‐age advertising campaigns feature mature models, at least in part to reduce the depiction of unrealistic body ideals associated with the use of young models. The introduction of mature models into advertising campaigns may have hitherto unexamined effects on viewers' self‐esteem. We therefore compared the impact of mature and young models on women's levels of self‐esteem. Young adult and middle‐aged women were subtly exposed to young or pro‐age female models before completing an affective priming task designed to measure self‐esteem. As predicted, exposure influenced only appearance‐based self‐esteem, but not global self‐esteem. Furthermore, age congruency led to decreased self‐esteem, whereas age incongruency led to increased self‐esteem. Specifically, exposure to young models decreased young women's self‐esteem, just as exposure to mature models decreased middle‐aged women's self‐esteem. By contrast, exposure to mature models increased young women's self‐esteem, and exposure to young models increased middle‐aged women's self‐esteem. The implications for marketing campaigns are discussed. Copyright © 2013 John Wiley & Sons, Ltd.
Acute seizures predict epilepsy after childhood stroke
Authors: Fox Christine K. , Glass Hannah C. , Sidney Stephen , Lowenstein Daniel H. , Fullerton Heather J. 
Published: April 2013

ObjectiveTo determine incidence rates and predictors of epilepsy after childhood stroke and compare these to published estimates of 3 to 5% cumulative epilepsy incidence by 5 years poststroke in adults.MethodsIn a retrospective population‐based study of children with stroke (29 days–19 years) in an integrated health care system (1993–2007), poststroke seizures were identified through electronic searches and confirmed by chart review. Stroke and seizure characteristics were abstracted from medical records. Survival analysis was used to determine rates and predictors of remote seizures and active epilepsy (anticonvulsant treatment for remote seizure within prior 6 months) at last follow‐up.ResultsFrom a population of 2.5 million children, we identified 305 stroke cases. Over a median follow‐up of 4.1 years (interquartile range = 1.8–6.8), 49 children had a first unprovoked remote seizure. The average annual incidence rate of first remote seizure was 4.4% (95% confidence interval [CI] = 3.3–5.8) with a cumulative risk of 16% (95% CI = 12–21) at 5 years and 33% (95% CI = 23–46) at 10 years poststroke. The cumulative risk of active epilepsy was 13% (95% CI = 9–18) at 5 years and 30% (95% CI = 20–44) at 10 years. Acute seizures at the time of stroke predicted development of active epilepsy (hazard ratio = 4.2, 95% CI = 2.2–8.1). At last follow‐up, ⅓ of the children with active epilepsy had a recent breakthrough seizure despite anticonvulsant usage.InterpretationUnlike adults, children are uniquely vulnerable to epilepsy after stroke. Children with acute seizures at the time of stroke are at particularly high risk. Ann Neurol 2013;74:249–256
Solid‐State Form Screen of Cardiosulfa and Its Analogues
Authors: Kumar S. Sudalai , Rana Soumendra , Nangia Ashwini 
Published: April 2013

AbstractCardiosulfa is a biologically active sulfonamide molecule that was recently shown to induce abnormal heart development in zebrafish embryos through activation of the aryl hydrocarbon receptor (AhR). The present report is a systematic study of solid‐state forms of cardiosulfa and its biologically active analogues that belong to the N‐(9‐ethyl‐9H‐carbazol‐3‐yl)benzene sulfonamide skeleton. Cardiosulfa (molecule 1; R1=NO2, R2=H, R3=CF3), molecule 2 (H, H, CF3), molecule 3 (CF3, H, H), molecule 4 (NO2, H, H), molecule 5 (H, CF3, H), and molecule 6 (H, H, H) were synthesized and subjected to a polymorph search and solid‐state form characterization by X‐ray diffraction, differential scanning calorimetry (DSC), variable‐temperature powder X‐ray diffraction (VT‐PXRD), FTIR, and solid‐state (ss) NMR spectroscopy. Molecule 1 was obtained in a single‐crystalline modification that is sustained by NH⋅⋅⋅π and CH⋅⋅⋅O interactions but devoid of strong intermolecular NH⋅⋅⋅O hydrogen bonds. Molecule 2 displayed a NH⋅⋅⋅O catemer C(4) chain in form I, whereas a second polymorph was characterized by PXRD. The dimorphs of molecule 3 contain NH⋅⋅⋅π and CH⋅⋅⋅O interactions but no NH⋅⋅⋅O bonds. Molecule 4 is trimorphic with NH⋅⋅⋅O catemer in form I, and NH⋅⋅⋅π and CH⋅⋅⋅O interactions in form II, and a third polymorph was characterized by PXRD. Both polymorphs of molecule 5 contain the NH⋅⋅⋅O catemer C(4) chain, whereas the sulfonamide NH⋅⋅⋅O dimer synthon R22(8) was observed in polymorphs of 6. Differences in the strong and weak hydrogen‐bond motifs were correlated with the substituent groups, and the solubility and dissolution rates were correlated with the conformation in the crystal structure of 1, 2, 3, 4, 5, 6. Higher solubility compounds, such as 2 (10.5 mg mL−1) and 5 (4.4 mg mL−1), adopt a twisted confirmation, whereas less‐soluble 1 (0.9 mg mL−1) is nearly planar. This study provides practical guides for functional‐group modification of drug lead compounds for solubility optimization.
One‐Pot Solvothermal Synthesis of Highly Water‐Dispersible Size‐Tunable Functionalized Magnetite Nanocrystal Clusters for Lipase Immobilization
Authors: Zhu Hao , Hou Chen , Li Yijing , Zhao Guanghui , Liu Xiao , Hou Ke , Li Yanfeng 
Published: April 2013

AbstractA facile one‐pot synthesis of highly water‐dispersible size‐tunable magnetite (Fe3O4) nanocrystal clusters (MNCs) end‐functionalized with amino or carboxyl groups by a modified solvothermal reduction reaction has been developed. Dopamine and 3,4‐dihydroxyhydroxycinnamic acid were used for the first time as both a surfactant and interparticle linker in a polylol process for economical and environment‐friendly purposes. Morphology, chemical composition, and magnetic properties of the prepared particles were investigated by several methods, including FESEM, TEM, XRD, XPS, Raman, FTIR, TGA, zeta potential, and VSM. The sizes of the particles could be easily tuned over a wide range from 175 to 500 nm by varying the surfactant concentration. Moreover, ethylene glycol/diethylene glycol (EG/DEG) solvent mixtures with different ratios could be used as reductants to obtain the particles with smaller sizes. The XRD data demonstrated that the surfactants restrained the crystal growth of the grains. The nanoparticles showed superior magnetic properties and high colloidal stability in water. The cytotoxicity results indicated the feasibility of using the synthesized nanocrystals in biology‐related fields. To estimate the applicability of the obtained MNCs in biotechnology, Candida rugosa lipase was selected for the enzyme immobilization process. The immobilized lipase exhibited excellent thermal stability and reusability in comparison with the free enzyme. This novel strategy would simplify the reaction protocol and improve the efficiency of materials functionalization, thus offering new potential applications in biotechnology and organocatalysis.
Genome‐scale modeling of human metabolism – a systems biology approach
Authors: Mardinoglu Adil , Gatto Francesco , Nielsen Jens 
Published: April 2013

AbstractAltered metabolism is linked to the appearance of various human diseases and a better understanding of disease‐associated metabolic changes may lead to the identification of novel prognostic biomarkers and the development of new therapies. Genome‐scale metabolic models (GEMs) have been employed for studying human metabolism in a systematic manner, as well as for understanding complex human diseases. In the past decade, such metabolic models – one of the fundamental aspects of systems biology – have started contributing to the understanding of the mechanistic relationship between genotype and phenotype. In this review, we focus on the construction of the Human Metabolic Reaction database, the generation of healthy cell type‐ and cancer‐specific GEMs using different procedures, and the potential applications of these developments in the study of human metabolism and in the identification of metabolic changes associated with various disorders. We further examine how in silico genome‐scale reconstructions can be employed to simulate metabolic flux distributions and how high‐throughput omics data can be analyzed in a context‐dependent fashion. Insights yielded from this mechanistic modeling approach can be used for identifying new therapeutic agents and drug targets as well as for the discovery of novel biomarkers. Finally, recent advancements in genome‐scale modeling and the future challenge of developing a model of whole‐body metabolism are presented. The emergent contribution of GEMs to personalized and translational medicine is also discussed.
A potential new enriching trial design for selecting non‐small‐cell lung cancer patients with no predictive biomarker for trials based on both histology and early tumor response: further analysis of a thalidomide trial
Authors: Lee Siow Ming , Hackshaw Allan 
Published: April 2013

AbstractThere are few predictive biomarkers for antiangiogenic trials in lung cancer. We examine a potential treatment strategy in which a patient group is enriched using both histology and an early assessment of response during standard chemotherapy, and where a new agent is given for the remainder of chemotherapy and as maintenance. We performed a retrospective analysis of 722 stage IIIB/IV non‐small‐cell lung cancer patients from a double‐blind placebo‐controlled trial of thalidomide or placebo 100–200 mg/day, combined with gemcitabine/carboplatin (for up to four cycles), then given as single agent maintenance therapy. There was a significant statistical interaction between treatment and histology, with a possible benefit among squamous cell cancer (SCC) patients. We examined 150 SCC patients who were “nonprogressors” (stable disease or complete/partial response) after completing the second chemotherapy cycle. Endpoints were progression‐free survival (PFS) and overall survival (OS). Among the 150 patients nonprogressors after cycle 2 (thalidomide, n = 72; placebo, n = 78; baseline characteristics were similar), the hazard ratios (HRs) were: OS = 0.76 (95% CI: 0.54–1.07) and PFS = 0.69 (95% CI: 0.50–0.97). In 57 patients who had a complete/partial response, the HRs were: OS = 0.63 (95% CI: 0.34–1.15) and PFS = 0.50 (95% CI: 0.28–0.88). SCC patients who were nonprogressors after 2 cycles of standard chemotherapy showed evidence of a benefit from thalidomide when taken for the remainder of chemotherapy and as maintenance. This strategy based on histology and, importantly, early assessment of tumor response, as a means of patient enrichment, could be examined in other lung cancer studies. Such an approach might be suitable for trials where there are no predictive biomarkers.
Transcatheter aortic valve implantation in patients of small body size
Authors: Watanabe Yusuke , Hayashida Kentaro , Lefèvre Thierry , Chevalier Bernard , Hovasse Thomas , Romano Mauro , Garot Philippe , Farge Arnaud , Donzeau‐Gouge Patrick , Bouvier Erik , Cormier Bertrand , Morice Marie‐Claude 
Published: April 2013

AimsThe aim of this study was to evaluate the efficacy and safety of transcatheter aortic valve implantation (TAVI) in patients of small body size (SB).Methods and ResultsBetween October 2006 and November 2011, 424 patients undergoing TAVI were evaluated. Patients with a small body surface area (BSA; <1.75 m2) were defined as the “SB group” (n = 215) and the remaining large BSA patients as the “LB group” (n = 209). In the SB group, mean annulus diameter measured by CT and minimal femoral artery diameter were significantly smaller (23.1 ± 1.92 vs. 24.3 ± 1.91 mm, P < 0.01; 7.59 ± 1.06 vs. 8.29 ± 1.34 mm, P < 0.01, respectively). The logistic EuroSCORE was similar between groups (22.5 ± 10.4 vs. 23.4 ± 12.0; P = 0.43). Equivalent device success (91.2% vs. 91.4%; P = 0.94) and 30‐day survival rates (85.1% vs. 87.6%; P = 0.46) were achieved in both groups. Vascular complications and the 30‐day combined safety end point rate were significantly higher in the SB group (13.0% vs. 4.3%, P < 0.01; 27.4% vs. 18.3%, P = 0.03, respectively). Similar post‐procedural mean pressure gradient was achieved in both groups (10.2 ± 4.3 vs. 11.0 ± 4.6 mmHg; P = 0.12). Multivariate analysis showed that BSA was one of the independent predictors of 30‐day combined safety end point (Odds ratio: 0.20; 95% confidence interval (CI): 0.05–0.88; P = 0.03). However, Kaplan–Meier analysis revealed no significant difference in mid‐term survival rate between groups (log‐rank P = 0.64).ConclusionsTAVI in SB patients resulted in similar clinical outcomes with effective post‐procedural hemodynamics compared with LB patients. Care should be taken to avoid vascular complications in SB patients. © 2013 Wiley Periodicals, Inc.
Synthesis of 2,5‐Diarylpyrroles by Ligand‐Free Palladium‐Catalyzed CH Activation of Pyrroles in Ionic Liquids
Authors: Ehlers Peter , Petrosyan Andranik , Baumgard Jens , Jopp Stefan , Steinfeld Norbert , Ghochikyan Tariel V. , Saghyan Ashot S. , Fischer Christine , Langer Peter 
Published: April 2013

AbstractThe palladium‐catalyzed CH activation and arylation of N‐methylpyrrole and N‐phenylpyrrole allowed a convenient synthesis of diarylpyrroles. The reactions were performed by using tetrabutylammonium acetate as an ionic solvent, which allowed for the application of a ligand‐free catalytic system by using simple palladium salts or polyvinylpyrrolidone‐stabilized palladium nanoparticles as the catalyst.
Hydrodynamics and Transport Processes during Centrifugal Short‐Path Distillation
Authors: Chen L.‐J. , Dong H.‐B. , Li Q. , Niu C.‐C. , Zeng A.‐W. 
Published: April 2013

AbstractTo simulate the centrifugal short‐path distillation process, both two phases and interfacial transport are taken into account simultaneously for the first time. A new computational fluid dynamics model based on the volume‐of‐fluid and species transport methods is built up to analyze the detailed flow and transfer characteristics. A binary system with dibutyl phthalate‐dibutyl sebacate (DBP‐DBS) is used as an example for the investigation with both numerical and experimental methods. The residence time and the effects of operating parameters such as evaporator temperature and feed flow rate are explored comparatively. The simulation result for the liquid‐film thickness shows a satisfactory agreement with literature data. On the basis of the simulation results, we may also obtain detailed characteristics of the heat and mass transfer such as gradients in temperature and concentration and the liquid overall mass transfer coefficient.
Design and Control of Extraction Distillation for Dehydration of Tetrahydrofuran
Authors: Fan Z. , Zhang X. , Cai W. , Wang F. 
Published: April 2013

AbstractDesign and control of an extractive distillation system for tetrahydrofuran (THF) dehydration with ethylene glycol as entrainer is investigated. The main module is a two‐column system containing an extractive distillation column, whose top stream is the desired product THF, and an entrainer recovery column. Economic analysis with total annual cost as the objective function is developed. Two kinds of control strategies are explored for THF dehydration. The responses reveal that the control structure with fixed reflux ratio cannot maintain the bottom liquid level of the entrainer recovery column, while the control scheme with fixed reboiler heat duty/feed flow ratio exhibits good control performance in spite of large deviations in feed flow rate and feed composition.
Redox‐Controlled Helical Self‐Assembly of a Polyoxometalate Complex
Authors: Zhang Jing , Li Wen , Wu Che , Li Bao , Zhang Jiao , Wu Lixin 
Published: April 2013

AbstractPolyoxometalate (POM) complex (DODA)2[Mo6O19] with a symmetrical linear structure was prepared conveniently by replacing the tetrabutylammonium (TBA) counterions of Lindquist‐type cluster (TBA)2[Mo6O19] with cationic surfactant dioctadecyldimethylammonium (DODA). A helical self‐assembled structure of the complex was formed in dichloromethane/propanol. The dynamically reversible transformation between helical and spherical assemblies on alternate UV irradiation and H2O2 oxidation was characterized by SEM, TEM, and UV/Vis studies. The redox‐controlled morphology change is modulated by variation of the electrostatic interactions between the inorganic polyanion and the organic cation DODA through controlling the redox properties of the POM component, as shown by the XRD, X‐ray photoelectron spectroscopic, and 1H NMR measurements. The strategy applied herein is a unique example of targeted smart and helical assembly of POM complexes.
Visible‐Light‐Induced Photodimerization of a Photoactive Yellow Protein (PYP) Chromophore Model in a Single Crystal
Authors: Nath Naba K. , Manoj Kochunnoonny , Gâz Andrei Şerban , Naumov Panče 
Published: April 2013

AbstractThe chromophore of the photoactive yellow protein (PYP), the photoreceptor in the photomotility of the bacterium Halorhodospira halophila, is a deprotonated para‐coumaric thioester linked to the side residue of a cysteine residue. The photophysics of the PYP chromophore is conveniently modeled with para‐hydroxycinnamic thiophenyl esters. Herein, we report the first direct evidence, obtained with X‐ray diffraction, of photodimerization of a para‐hydroxycinnamic thiophenyl ester in single crystalline state. This result represents the first direct observation of [2+2] dimerization of a model PYP chromophore, and demonstrates that even very weak light in the visible region is capable of inducing parallel radical reactions in PYP from the excited state of the chromophore, in addition to the main reaction pathway (trans–cis isomerization). This PYP model system adds an interesting example to the known solid‐state photodimerizations, because unlike the anhydrous crystal (which is not capable of sustaining the stress and disintegrates in the course of photodimerization), a single water molecule “dilutes” the structure to the extent sufficient for single‐crystal‐to‐single‐crystal reaction.
Reconstruction of Coefficients in Scalar Second‐Order Elliptic Equations from Knowledge of Their Solutions
Authors: Bal Guillaume , Uhlmann Gunther 
Published: April 2013

AbstractThis paper concerns the reconstruction of possibly complex‐valued coefficients in a second‐order scalar elliptic equation that is posed on a bounded domain from knowledge of several solutions of that equation. We show that for a sufficiently large number of solutions and for an open set of corresponding boundary conditions, all coefficients can be uniquely and stably reconstructed up to a well‐characterized gauge transformation. We also show that in some specific situations, a minimum number of such available solutions equal to
$I_n = {1 \over 2}n(n + 3)$
is sufficient to uniquely and globally reconstruct the unknown coefficients. This theory finds applications in several coupled‐physics medical imaging modalities including photo‐acoustic tomography, transient elastography, and magnetic resonance elastography. © 2013 Wiley Periodicals, Inc.
Computational Studies on Non‐covalent Interactions of Carbon and Boron Fullerenes with Graphene
Authors: Manna Arun K. , Pati Swapan K. 
Published: April 2013

AbstractFirst‐principles DFT calculations are carried out to study the changes in structures and electronic properties of two‐dimensional single‐layer graphene in the presence of non‐covalent interactions induced by carbon and boron fullerenes (C60, C70, C80 and B80). Our study shows that larger carbon fullerene interacts more strongly than the smaller fullerene, and boron fullerene interacts more strongly than that of its carbon analogue with the same nuclearity. We find that van der Waals interactions play a major role in governing non‐covalent interactions between the adsorbed fullerenes and graphene. Moreover, a greater extent of van der Waals interactions found for the larger fullerenes, C80 and B80, relative to smaller C60, and consequently, results in higher stabilisation. We find a small amount of electron transfer from graphene to fullerene, which gives rise to a hole‐doped material. We also find changes in the graphene electronic band structures in the presence of these surface‐decorated fullerenes. The Dirac cone picture, such as that found in pristine graphene, is significantly modified due to the re‐hybridisation of graphene carbon orbitals with fullerenes orbitals near the Fermi energy. However, all of the composites exhibit perfect conducting behaviour. The simulated absorption spectra for all of the graphene–fullerene hybrids do not exhibit a significant change in the absorption peak positions with respect to the pristine graphene absorption spectrum. Additionally, we find that the hole‐transfer integral between graphene and C60 is larger than the electron‐transfer integrals and the extent of these transfer integrals can be significantly tuned by graphene edge functionalisation with carboxylic acid groups. Our understanding of the non‐covalent functionalisation of graphene with various fullerenes would promote experimentalists to explore these systems, for their possible applications in electronic and opto‐electronic devices.