bluuebunny/crossref_metadata_2025_split huggingface dataset:
Immobilizing Systems Biocatalysis for the Selective Oxidation of Glycerol Coupled to In Situ Cofactor Recycling and Hydrogen Peroxide Elimination
Authors: Rocha‐Martin Javier , Acosta Andreína , Guisan Jose M. , López‐Gallego Fernando 
Published: July 2015

AbstractThe front cover artwork for Issue 13/2015 is provided by the groups of Prof. Jose M. Guisan, Instituto de Catálisis y Petroleoquímica (Spain) and Dr. Fernando López‐Gallego, CIC BiomaGUNE and Basque Foundation for Science (Spain). The image shows a co‐immobilized trienzyme system catalyzing a one‐pot cascade reaction to oxidize glycerol from the biodiesel industry to dihydroxyacetone, which is a valuable chemical for industry. See the Full Paper itself at http://dx.doi.org/10.1002/cctc.201500210.
Polymer‐Based Spherical Activated Carbons in Combination with TS‐1 as Efficient Epoxidation Catalysts
Authors: With Patrick C. , Wilde Nicole , Modrow Antje , Fichtner Sven , Böhringer Bertram , Gläser Roger 
Published: July 2015

AbstractThe heterogeneously catalyzed epoxidation of commercially available biodiesel with aqueous H2O2 as an oxidant was studied over composite catalysts consisting of microporous titanium silicalite‐1 (TS‐1) as reactive and polymer‐based spherical activated carbon (PBSAC) as sorptive component. The results are compared to that of a commercial TS‐1 catalyst. The polymer‐based spherical activated carbon was applied either as a support or as an exotemplate. In the composite catalyst, the active titanium sites are utilized four times more efficiently than in the commercial TS‐1.
Evidence of Local pH Changes during Ethanol Oxidation at Pt Electrodes in Alkaline Media
Authors: Figueiredo Marta C. , Arán‐Ais Rosa M. , Climent Víctor , Kallio Tanja , Feliu Juan M. 
Published: July 2015

AbstractLocal changes of the interfacial pH can significantly affect the rate and mechanism during the course of an electrodic reaction. For instance, different pH values will have a significant effect on the equilibrium properties of both solution and surface species, altering the reactions kinetics. Ethanol oxidation at platinum electrodes in alkaline media involves the fast consumption of OH− species that will change the local pH at the electrode surface, decreasing the reaction rate. In this study, the local pH change during ethanol oxidation in alkaline media is accomplished by using rotating ring‐disc electrode (RRDE) experiments. The current at the ring when polarized at the onset of hydrogen evolution serves as a measure of the local pH in the vicinity of the electrode. The results show that the current at the ring at 0.1 V (vs. RHE) becomes more negative during ethanol oxidation, owing to a change in the equilibrium potential of the hydrogen evolution reaction caused by a change in the local pH.
Rotaxanes Capped with Host Molecules: Supramolecular Behavior of Adamantylated Bisimidazolium Salts Containing a Biphenyl Centerpiece
Authors: Branná Petra , Rouchal Michal , Prucková Zdeňka , Dastychová Lenka , Lenobel René , Pospíšil Tomáš , Maláč Kamil , Vícha Robert 
Published: July 2015

AbstractBisimidazolium salts with one central biphenyl binding site and two terminal adamantyl binding sites form water‐soluble binary or ternary aggregates with cucurbit[7]uril (CB7) and β‐cyclodextrin (β‐CD) with rotaxane and pseudorotaxane architectures. The observed arrangements result from cooperation of the supramolecular stopper binding strength and steric barriers against free slippage of the CB7 and β‐CD host molecules over the bisimidazolium guest axle.
Unprecedented Transformation of a Directing Group Generated In Situ and Its Application in the One‐Pot Synthesis of 2‐Alkenyl Benzonitriles
Authors: Kumar Ravi , Arigela Rajesh K. , Kundu Bijoy 
Published: July 2015

AbstractAn unprecedented protocol for the transformation of benzoyl azides into benzonitrile derivatives via iminophosphoranes generated in situ is described. The strategy was successfully applied to the de‐novo synthesis of 2‐alkenylated benzonitrile derivatives from benzoyl azides through ortho CH activation/alkenylation followed by subsequent rearrangement. The salient features of this protocol involve incorporation of two important functionalities through cyanation and olefination in one pot under mild reaction conditions by using a less expensive Ru catalyst. The mechanism was established by isolating and characterising (using 31P NMR) an intermediate with two ortho functionalities, iminophosphorane and olefin, under specific reaction conditions.
A Versatile Approach to CF3‐Containing 2‐Pyrrolidones by Tandem Michael Addition–Cyclization: Exemplification in the Synthesis of Amidine Class BACE1 Inhibitors
Authors: Mateu Natalia , Ciordia Myriam , Delgado Oscar , Sánchez‐Roselló María , Trabanco Andrés A. , Van Gool Michiel , Tresadern Gary , Pérez‐Benito Laura , Fustero Santos 
Published: July 2015

AbstractThe synthesis of new fluorinated pyrrolidones starting from unprotected amino esters and amino nitriles through a Michael addition–lactamization sequence is described. The resulting CF3‐containing building blocks, bearing a quaternary stereogenic center adjacent to the fluorinated group, have been converted into amino pyrrolidines that display potent β‐secretase 1 (BACE1) inhibitory activity. This work constitutes an example of selective fluorination as a valid strategy for the modulation of physicochemical and biological properties of lead compounds in drug discovery.
Antivitamins B12—A Structure‐ and Reactivity‐Based Concept
Authors: Kräutler Bernhard 
Published: July 2015

AbstractB12‐antimetabolites are compounds that counteract the physiological effects of vitamin B12 and related natural cobalamins. Presented here is a structure‐ and reactivity‐based concept of the specific ′antivitamins B12′: it refers to analogues of vitamin B12 that display high structural similarity to the vitamin and are ′locked chemically′ to prevent their metabolic conversion into the crucial organometallic B12‐cofactors. Application of antivitamins B12 to healthy laboratory animals is, thus, expected to induce symptoms of B12‐deficiency. Antivitamins B12 may, hence, be helpful in elucidating still largely puzzling pathophysiological phenomena associated with B12‐deficiency, and also in recognizing physiological roles of B12 that probably still remain to be discovered.
Heterofunctional Magnetic Metal‐Chelate‐Epoxy Supports for the Purification and Covalent Immobilization of Benzoylformate Decarboxylase From Pseudomonas Putida and Its Carboligation Reactivity
Authors: Tural Servet , Tural Bilsen , Demir Ayhan S. 
Published: July 2015

AbstractIn this study, the combined use of the selectivity of metal chelate affinity chromatography with the capacity of epoxy supports to immobilize poly‐His‐tagged recombinant benzoylformate decarboxylase from Pseudomonas putida (BFD, E.C. 4.1.1.7) via covalent attachment is shown. This was achieved by designing tailor‐made magnetic chelate–epoxy supports. In order to selectively adsorb and then covalently immobilize the poly‐His‐tagged BFD, the epoxy groups (300 µmol epoxy groups/g support) and a very small density of Co2+‐chelate groups (38 µmol Co2+/g support) was introduced onto magnetic supports. That is, it was possible to accomplish, in a simple manner, the purification and covalent immobilization of a histidine‐tagged recombinant BFD. The magnetically responsive biocatalyst was tested to catalyze the carboligation reactions. The benzoin condensation reactions were performed with this simple and convenient heterogeneous biocatalyst and were comparable to that of a free‐enzyme‐catalyzed reaction. The enantiomeric excess (ee) of (R)‐benzoin was obtained at 99 ± 2% for the free enzyme and 96 ± 3% for the immobilized enzyme. To test the stability of the covalently immobilized enzyme, the immobilized enzyme was reused in five reaction cycles for the formation of chiral 2‐hydroxypropiophenone (2‐HPP) from benzaldehyde and acetaldehyde, and it retained 96% of its original activity after five reaction cycles. Chirality 27:635–642, 2015. © 2015 Wiley Periodicals, Inc.
Investigation of Drug–Drug Interactions Between Ritobegron, a Selective β3‐Adrenoceptor Agonist, With Probenecid in Healthy Men
Authors: Abe Yoshikazu , Nakano Yuki , Kanazawa Toru , Furihata Takao , Endo Takuro , Kobayashi Mamoru 
Published: July 2015

AbstractWe evaluated the effects of probenecid, a potent organic anion transporter 1 (OAT1) and OAT3 inhibitor, on the pharmacokinetics and safety of ritobegron, a selective β3‐adrenoceptor agonist, in healthy men. Twelve healthy men were administered a single oral dose of ritobegron (20 mg) alone or in combination with probenecid 2 hours before administration of ritobegron. In the combination sequence, additional doses of probenecid were administered 4 and 10 hours after the administration of ritobegron. Probenecid increased the Cmax of KUC‐7322, an active form of ritobegron, and the AUC0–48 h by 1.39 and 2.93 times, respectively. Probenecid prolonged the t1/2 of KUC‐7322 from 1.6 to 3.4 hours and decreased the renal clearance and cumulative fraction of KUC‐7322 excreted in urine from 18.5 to 4.9 L/h and from 64.7% to 49.7%, respectively. Coadministration of probenecid did not influence adverse events, blood pressure, pulse rate, or heart rate relative to ritobegron alone. Although probenecid inhibited renal tubule secretion of KUC‐7322 via OAT3 and increased KUC‐7322 exposure, it did not influence adverse effects or vital signs. Therefore, clinically significant drug–drug interactions are unlikely to occur when probenecid is administered in combination with OAT3 inhibitors or substrates.
Effects of Chemical Composition, Film Thickness, and Morphology on the Electrochromic Properties of Donor–Acceptor Conjugated Copolymers Based on Diketopyrrolopyrrole
Authors: Neo Wei Teng , Shi Zugui , Cho Ching Mui , Chua Soo‐Jin , Xu Jianwei 
Published: July 2015

AbstractA series of diketopyrrolopyrrole (DPP) and propylenedioxythiophene (ProDOT)‐containing random copolymers with different donor‐to‐acceptor ratios is synthesized through Stille coupling polymerizations. The low‐bandgap polymers display dark tones with colors ranging from magenta to blue, and reveal reversible colored‐to‐transmissive electrochromism in absorption/transmission‐type devices with high optical contrasts (up to 48 and 77 % in the visible and near‐infrared regions, respectively), modest switching speeds (a few to tens of seconds) and coloration efficiencies (267–574 cm2 C−1), as well as good long‐term ambient redox stabilities. The structure–performance relationship of the polymers, in particular, the role of donor‐to‐acceptor ratio, is investigated, and it is shown that an increase in the amount of acceptor in the polymers leads to slower oxidative but faster reductive switching, accompanied with enhancement of the redox stability. In addition, further study on the influence of film thickness and film morphology reveals that devices with higher optical contrasts are attainable from thicker polymer films at the expense of switching speeds; films with high uniformity and connectedness together with open, loose structures at submicron to micron scale are favorable for achieving good electrochromic performance.
Automatic single cell segmentation on highly multiplexed tissue images
Authors: Schüffler Peter J. , Schapiro Denis , Giesen Charlotte , Wang Hao A. O. , Bodenmiller Bernd , Buhmann Joachim M. 
Published: July 2015

AbstractThe combination of mass cytometry and immunohistochemistry (IHC) enables new histopathological imaging methods in which dozens of proteins and protein modifications can be visualized simultaneously in a single tissue section. The power of multiplexing combined with spatial information and quantification was recently illustrated on breast cancer tissue and was described as next‐generation IHC. Robust, accurate, and high‐throughput cell segmentation is crucial for the analysis of this new generation of IHC data. To this end, we propose a watershed‐based cell segmentation, which uses a nuclear marker and multiple membrane markers, the latter automatically selected based on their correlation. In comparison with the state‐of‐the‐art segmentation pipelines, which are only using a single marker for object detection, we could show that the use of multiple markers can significantly increase the segmentation power, and thus, multiplexed information should be used and not ignored during the segmentation. Furthermore, we provide a novel, user‐friendly open‐source toolbox for the automatic segmentation of multiplexed histopathological images. © 2015 International Society for Advancement of Cytometry
Peritoneal cytology as prognostic factor in cervical cancer
Authors: Ditto Antonino , Martinelli Fabio , Carcangiu Marialuisa , Lorusso Domenica , Raspagliesi Francesco 
Published: July 2015

BackgroundTo investigate the prognostic role of peritoneal cytology (PC) in cervical cancer patients undergoing radical hysterectomy.MethodsWe retrospectively analyzed 120 stage IA1–IIIB patients with cervical cancer who underwent peritoneal fluid collection for cytology during radical hysterectomy. Neoadjuvant chemotherapy and/or radiotherapy was performed in 48% of the cases. All PC specimens were obtained by aspiration of free‐fluid when present or by peritoneal washing. The relationships between cytological diagnosis, histological variables, and prognosis were investigated.ResultsPC was positive in 4 out of 120 (3.3%) cases. All were advanced stage adenocarcinomas. Overall, 4 out of 26 (15.3%) cases with adenocarcinoma were positive, and all presented with free fluid in the pelvis. No positive PC was found among squamous cancers. Histological subtype (P: 0.002) and parametrial (P < 0.001) and vaginal (P: 0.002) involvement presented a statistically significant correlation with PC positivity. The prognostic analysis of histological parameters demonstrated that parametrial (P: 0.007), vaginal (P: 0.04), and lymph node involvements (P: 0.003) were significantly correlated with a shorter disease‐free survival.ConclusionsThe series indicates that PC in squamous cell cervical cancer is not a significant prognostic factor. Its routine collection in squamous cancer should be abandoned in this setting. On the other hand, the unfavorable prognostic profile of PC positive cases in our investigation suggest a possible impact of this variable on outcome. The significant link between PC and locally advanced adenocarcinomas underwent neoadjuvant therapy before surgery warrants a further investigation to assess its real prognostic value and its indication in this particular clinical setting. Diagn. Cytopathol. 2015;43:705–709. © 2015 Wiley Periodicals, Inc.
SmedGD 2.0: The Schmidtea mediterranea genome database
Authors: Robb Sofia M.C. , Gotting Kirsten , Ross Eric , Sánchez Alvarado Alejandro 
Published: July 2015

SummaryPlanarians have emerged as excellent models for the study of key biological processes such as stem cell function and regulation, axial polarity specification, regeneration, and tissue homeostasis among others. The most widely used organism for these studies is the free‐living flatworm Schmidtea mediterranea. In 2007, the Schmidtea mediterranea Genome Database (SmedGD) was first released to provide a much needed resource for the small, but growing planarian community. SmedGD 1.0 has been a depository for genome sequence, a draft assembly, and related experimental data (e.g., RNAi phenotypes, in situ hybridization images, and differential gene expression results). We report here a comprehensive update to SmedGD (SmedGD 2.0) that aims to expand its role as an interactive community resource. The new database includes more recent, and up‐to‐date transcription data, provides tools that enhance interconnectivity between different genome assemblies and transcriptomes, including next‐generation assemblies for both the sexual and asexual biotypes of S. mediterranea. SmedGD 2.0 (http://smedgd.stowers.org) not only provides significantly improved gene annotations, but also tools for data sharing, attributes that will help both the planarian and biomedical communities to more efficiently mine the genomics and transcriptomics of S. mediterranea. genesis 53:535–546, 2015. © 2015 Wiley Periodicals, Inc.
Cost‐effectiveness of natriuretic peptide‐based screening and collaborative care: a report from the STOP‐HF (St Vincent's Screening TO Prevent Heart Failure) study
Authors: Ledwidge Mark T. , O'Connell Eoin , Gallagher Joseph , Tilson Lesley , James Stephanie , Voon Victor , Bermingham Margaret , Tallon Elaine , Watson Chris , O'Hanlon Rory , Barry Michael , McDonald Kenneth 
Published: July 2015

AimsPrevention of cardiovascular disease and heart failure (HF) in a cost‐effective manner is a public health goal. This work aims to assess the cost‐effectiveness of the St Vincent's Screening TO Prevent Heart Failure (STOP‐HF) intervention.Methods and resultsThis is a substudy of 1054 participants with cardiovascular risk factors [median age 65.8 years, interquartile range (IQR) 57.8:72.4, with 4.3 years, IQR 3.4:5.2, follow‐up]. Annual natriuretic peptide‐based screening was performed, with collaborative cardiovascular care between specialist physicians and general practitioners provided to patients with BNP levels >50 pg/mL. Analysis of cost per case prevented and cost‐effectiveness per quality‐adjusted life year (QALY) gained was performed. The primary clinical endpoint of LV dysfunction (LVD) with or without HF was reduced in intervention patients [odds ratio (OR) 0.60; 95% confidence interval (CI) 0.38–0.94; P = 0.026]. There were 157 deaths and/or emergency hospitalizations for major adverse cardiac events (MACE) in the control group vs. 102 in the intervention group (OR 0.68; 95% CI 0.49–0.93; P = 0.01). The cost per case of LVD/HF prevented was €9683 (sensitivity range –€843 to €20 210), whereas the cost per MACE prevented was €3471 (sensitivity range –€302 to €7245). Cardiovascular hospitalization savings offset increased outpatient and primary care costs. The cost per QALY gain was €1104 and the intervention has an 88% probability of being cost‐effective at a willingness to pay threshold of €30 000.ConclusionAmong patients with cardiovascular risk factors, natriuretic peptide‐based screening and collaborative care reduced LVD, HF, and MACE, and has a high probability of being cost‐effective.Trial registrationNCT00921960
Increasing exercise capacity and quality of life of patients with heart failure through Wii gaming: the rationale, design and methodology of the HF‐Wii study; a multicentre randomized controlled trial
Authors: Jaarsma Tiny , Klompstra Leonie , Ben Gal Tuvia , Boyne Josiane , Vellone Ercole , Bäck Maria , Dickstein Kenneth , Fridlund Bengt , Hoes Arno , Piepoli Massimo F. , Chialà Oronzo , Mårtensson Jan , Strömberg Anna 
Published: July 2015

AimsExercise is known to be beneficial for patients with heart failure (HF), and these patients should therefore be routinely advised to exercise and to be or to become physically active. Despite the beneficial effects of exercise such as improved functional capacity and favourable clinical outcomes, the level of daily physical activity in most patients with HF is low. Exergaming may be a promising new approach to increase the physical activity of patients with HF at home. The aim of this study is to determine the effectiveness of the structured introduction and access to a Wii game computer in patients with HF to improve exercise capacity and level of daily physical activity, to decrease healthcare resource use, and to improve self‐care and health‐related quality of life.Methods and resultsA multicentre randomized controlled study with two treatment groups will include 600 patients with HF. In each centre, patients will be randomized to either motivational support only (control) or structured access to a Wii game computer (Wii). Patients in the control group will receive advice on physical activity and will be contacted by four telephone calls. Patients in the Wii group also will receive advice on physical activity along with a Wii game computer, with instructions and training. The primary endpoint will be exercise capacity at 3 months as measured by the 6 min walk test. Secondary endpoints include exercise capacity at 6 and 12 months, level of daily physical activity, muscle function, health‐related quality of life, and hospitalization or death during the 12 months follow‐up.ConclusionThe HF‐Wii study is a randomized study that will evaluate the effect of exergaming in patients with HF. The findings can be useful to healthcare professionals and improve our understanding of the potential role of exergaming in the treatment and management of patients with HF.Trial registrationNCT01785121
Seismic behavior of steel buildings with out‐of‐plumb
Authors: Rad Ali A. , MacRae Gregory A. , Yeow Trevor Z. , Bull Desmond K. 
Published: July 2015

SummaryA structure that has a permanent offset from a true vertical line is commonly referred to as being ‘out‐of‐plumb’. Out‐of‐plumb may result from construction tolerances or post‐earthquake permanent deformations in steel buildings. This paper quantifies the displacements of buildings with out‐of‐plumb in subsequent seismic events by means of inelastic dynamic time history analysis. Structures considered have different structural heights, force design reduction factors (R), and target inter‐story drifts. It is shown that buildings with greater out of plumb and force design reduction factor have larger normalized peak inter‐story drift ratio and ratio of residual‐to‐peak drift. Also, the ratio of residual‐to‐peak drift was not strongly dependent on structural height or design drift. A design procedure and example provided, based on the results obtained, show how peak and residual inter‐story drift ratio can be estimated. Copyright © 2015 John Wiley & Sons, Ltd.
Englacial and subglacial water flow at Skálafellsjökull, Iceland derived from ground penetrating radar,in situGlacsweb probe and borehole water level measurements
Authors: Hart Jane K. , Rose Kathryn C. , Clayton Alexander , Martinez Kirk 
Published: July 2015

AbstractWe reconstruct englacial and subglacial drainage at Skálafellsjökull, Iceland, using ground penetrating radar (GPR) common offset surveys, borehole studies and Glacsweb probe data. We find that englacial water is not stored within the glacier (water content ~0–0.3%). Instead, the glacier is mostly impermeable and meltwater is able to pass quickly through the main body of the glacier via crevasses and moulins. Once at the glacier bed, water is stored within a thin (1 m) layer of debris‐rich basal ice (2% water content) and the till. The hydraulic potential mapped across the survey area indicates that when water pressures are high (most of the year), water flows parallel to the margin, and emerges 3 km down glacier at an outlet tongue. GPR data indicates that these flow pathways may have formed a series of braided channels. We show that this glacier has a very low water‐storage capacity, but an efficient englacial drainage network for transferring water to the glacier bed and, therefore, it has the potential to respond rapidly to changes in melt‐water inputs. © 2015 The Authors. Earth Surface Processes and Landforms published by John Wiley & Sons Ltd.