bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrophilic Cyanation of Boron Enolates: Efficient Access to Various β‐Ketonitrile Derivatives
Authors: Kiyokawa Kensuke , Nagata Takaya , Minakata Satoshi 
Published: July 2016

AbstractThe highly efficient electrophilic cyanation of boron enolates using readily available cyanating reagents, N‐cyano‐N‐phenyl‐p‐toluenesulfonamide (NCTS) and p‐toluenesulfonyl cyanide (TsCN), is reported. Various β‐ketonitriles were prepared by this new protocol, which has a remarkably broad substrate scope compared to existing methods. The present method also allowed efficient synthesis of β‐ketonitriles containing a quaternary α‐carbon center. In addition, a preliminary result with the use of a chiral boron enolate for the enantioselective cyanation reaction is described.
Method for the synthesis of para‐aramid nanofibers
Authors: Yeager Matthew P. , Hoffman Christopher M. , Xia Zhiyong , Trexler Morgana M. 
Published: July 2016

ABSTRACTThe synthesis and electrospinning of novel N‐substituted aramid nanofibers (ANFs) prepared from basic dispersions of commercial microscale Kevlar fibers are herein reported. The functionalized ANFs were characterized via Fourier transform infrared spectroscopy, 13C solid‐state nuclear magnetic resonance spectroscopy, and X‐ray diffraction to confirm proper N‐substitution of the side groups and to determine changes to the polymer crystallinity and stability. These analyses suggested that the electrospun ANFs consisted of numerous crystalline domains in the transverse fiber direction with large amorphous regions that were void of defects commonly found in commercial Kevlar fibers. A semi‐empirical study of the variations in the solubility parameter due to various side chain moieties was conducted to facilitate solvent selection and to elucidate the enhanced solubility effects with selected organic solvents. These initial findings suggest a promising route for obtaining a new class of nanofibers with ultrahigh strength and stiffness. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44082.
Boundary Control for A Flexible Inverted Pendulum System Based on A Pde Model
Authors: Peng Yawei , Liu Jinkun , He Wei 
Published: July 2016

AbstractA partial differential equation (PDE) model for a flexible inverted pendulum system (FIPS) is derived by the use of the Hamilton principle. To solve the coupling system model, a singular perturbation method was adopted. The PDE model was divided into a fast subsystem and a slow subsystem using the singular perturbation method. To stabilize the fast subsystem, a boundary control force was applied at the free end of the beam. It then was proven that the closed‐loop subsystem is appropriate and exponentially stable. For the slow subsystem, a sliding mode control method was employed to design a controller and the Linear Matrix Inequality (LMI) method was used to design the sliding surface. It then was shown that the slow subsystem is exponentially stable.
A Family of Robust Simultaneous Controllers With Tuning Parameters Design for a Set of Port‐Controlled Hamiltonian Systems
Authors: Cao Zhong , Hou Xiaorong , Zhao Wenjing 
Published: July 2016

AbstractThis paper investigates the robust simultaneous stabilization (RSS) and robust adaptive simultaneous stabilization (RASS) problem for a set of port‐controlled Hamiltonian (PCH) systems. Some results for designing a family of robust simultaneous controllers with tuning parameters for such systems are proposed. Firstly, using the dissipative Hamiltonian structural properties, these systems are combined to generate an augmented PCH system, and two simultaneous stabilization controllers with parameters are designed for the systems: one is a robust controller and the other is adaptive. Secondly, an algorithm for solving the tuning parameters’ ranges of controller is proposed with symbolic computation. Finally, a numerical example is studied by applying the method obtained in this paper to a set of PCH systems with external disturbance. The effectiveness of the proposed control method is verified by simulations. Compared with conventional simultaneous stabilization control, the controller obtained in this paper not only has strong robustness for a set of systems, but also can optimize the robustness for the systems by adjusting the parameters’ values.
Cover Image, Volume 10, Issue 4
Authors: Ahmad Farah B , Zhang Zhanying , Doherty William OS , O'Hara Ian M 
Published: July 2016

The cover image, by Farah Binti Ahmad et al., is based on the Modeling and Analysis Evaluation of oil production from oil palm empty fruit bunch by oleaginous microorganisms, DOI: 10.1002/bbb.1645. Photo Credit: Farah Binti Ahmad.
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In vivo individual variations in pharmacokinetics of efavirenz in cynomolgus monkeys genotyped for cytochrome P450 2C9
Authors: Iwasaki Kazuhide , Kitsugi Yusuke , Ikeda Kanami , Yoshikawa Takahiro , Hosaka Shinya , Uehara Shotaro , Uno Yasuhiro , Utoh Masahiro , Yamazaki Hiroshi 
Published: July 2016

AbstractCynomolgus monkeys are used frequently in preclinical studies for new drug development due to their evolutionary closeness to humans. An antiretroviral drug, efavirenz, is a typical probe substrate for human cytochrome P450 (P450) 2B6, but is mainly metabolized by cynomolgus monkey P450 2C9. In this study, plasma concentrations of efavirenz were assessed in six cynomolgus monkeys genotyped for P450 2C9 c.334 A > C (I112L) (three wild‐type, one heterozygote and two homozygotes) by high performance liquid chromatography with tandem mass spectrometry. After intravenous administration at a dose of 1.0 mg/kg, biphasic plasma elimination curves of efavirenz were seen in these cynomolgus monkeys. The mean plasma concentration of the primary metabolite 8‐hydroxyefavirenz (1 h after treatment, with hydrolysis by β‐glucuronidase) in the wild‐type group was significantly higher (4.0‐fold) than the combined heterozygous and homozygous group mean. The area under the plasma concentration–time curve value of efavirenz in the homozygous group after oral administration at a dose of 2.0 mg/kg was significantly higher (2.0‐fold) than the combined wild‐type and heterozygous group. These results collectively indicated that P450 2C9 c.334 A > C (I112L) variation was associated with efavirenz metabolic clearance in vivo. Cynomolgus P450 2C9 polymorphism might account for interindividual variations of efavirenz metabolism in cynomolgus monkeys. Copyright © 2016 John Wiley & Sons, Ltd.
A 2015 global update on folic acid‐preventable spina bifida and anencephaly
Authors: Arth Annelise , Kancherla Vijaya , Pachón Helena , Zimmerman Sarah , Johnson Quentin , Oakley Godfrey P. 
Published: July 2016

BackgroundSpina bifida and anencephaly are two major neural tube defects. They contribute substantially to perinatal, neonatal, infant, and under‐five mortality and life‐long disability. To monitor the progress toward the total prevention of folic acid‐preventable spina bifida and anencephaly (FAP SBA), we examined their global status in 2015.MethodsBased on existing data, we modeled the proportion of FAP SBA that are prevented in the year 2015 through mandatory folic acid fortification globally. We included only those countries with mandatory fortification that added at least 1.0 ppm folic acid as a fortificant to wheat and maize flour, and had complete information on coverage. Our model assumed mandatory folic acid fortification at 200 μg/day is fully protective against FAP SBA, and reduces the rate of spina bifida and anencephaly to a minimum of 0.5 per 1000 births.RESULTSOur estimates show that, in 2015, 13.2% (35,500 of approximately 268,700 global cases) of FAP SBA were prevented in 58 countries through mandatory folic acid fortification of wheat and maize flour. Most countries in Europe, Africa, and Asia were not implementing mandatory fortification with folic acid.ConclusionKnowledge that folic acid prevents spina bifida and anencephaly has existed for 25 years, yet only a small fraction of FAP SBA is being prevented worldwide. Several countries still have 5‐ to 20‐fold epidemics of FAP SBA. Implementation of mandatory fortification with folic acid offers governments a proven and rapid way to prevent FAP SBA‐associated disability and mortality, and to help achieve health‐related Sustainable Development Goals. Birth Defects Research (Part A) 106:520–529, 2016. © 2016 Wiley Periodicals, Inc.
Nanostructured luminescently labeled nucleic acids
Authors: Kricka Larry J. , Fortina Paolo , Park Jason Y. 
Published: July 2016

AbstractImportant and emerging trends at the interface of luminescence, nucleic acids and nanotechnology are: (i) the conventional luminescence labeling of nucleic acid nanostructures (e.g. DNA tetrahedron); (ii) the labeling of bulk nucleic acids (e.g. single‐stranded DNA, double‐stranded DNA) with nanostructured luminescent labels (e.g. copper nanoclusters); and (iii) the labeling of nucleic acid nanostructures (e.g. origami DNA) with nanostructured luminescent labels (e.g. silver nanoclusters). This review surveys recent advances in these three different approaches to the generation of nanostructured luminescently labeled nucleic acids, and includes both direct and indirect labeling methods.
Fluorescence colocalization microscopy analysis can be improved by combining object‐recognition with pixel‐intensity‐correlation
Authors: Moser Bernhard , Hochreiter Bernhard , Herbst Ruth , Schmid Johannes A. 
Published: July 2016

AbstractThe question whether two proteins interact with each other or whether a protein localizes to a certain region of the cell is often addressed with fluorescence microscopy and analysis of a potential colocalization of fluorescence markers. Since a mere visual estimation does not allow quantification of the degree of colocalization, different statistical methods of pixel‐intensity correlation are commonly used to score it. We observed that these correlation coefficients are prone to false positive results and tend to show high values even for molecules that reside in different organelles. Our aim was to improve this type of analysis and we developed a novel method combining object‐recognition based colocalization analysis with pixel‐intensity correlation to calculate an object‐corrected Pearson coefficient. We designed a macro for the Fiji‐version of the software ImageJ and tested the performance systematically with various organelle markers revealing an improved robustness of our approach over classical methods. In order to prove that colocalization does not necessarily mean a physical interaction, we performed FRET (fluorescence resonance energy transfer) microscopy. This confirmed that non‐interacting molecules can exhibit a nearly complete colocalization, but that they do not show any significant FRET signal in contrast to proteins that are bound to each other.
Simultaneous determination of four antiepileptic drugs in human plasma samples using an ultra‐high‐performance liquid chromatography tandem mass spectrometry method and its application in therapeutic drug monitoring
Authors: Dupouey Julien , Doudka Natalia , Belo Séphora , Blin Olivier , Guilhaumou Romain 
Published: July 2016

AbstractTherapeutic drug monitoring of antiepileptic drugs is widely practiced to achieve optimal efficacy and avoid adverse side effects. We describe an ultra‐high‐performance liquid chromatography tandem mass spectrometry (UHPLC/MS/MS) method developed for the monitoring of four frequently prescribed antiepileptic drugs – lamotrigine, levetiracetam, oxcarbazepine and topiramate. The main pharmacologically active metabolite of oxcarbazepine (mono‐hydroxy‐derivative metabolite, MHD) was also quantified. After addition of internal standards and a simple stage of protein precipitation, plasmatic samples were analyzed on a C18 column. All antiepileptic drugs were separated and quantified in 6 min, without interference. A good linearity was observed all over the calibration range (r2 > 0.99), up to 20 μg/mL (40 μg/mL for MHD). The limit of quantification was 0.20 μg/mL (0.40 μg/mL for MHD) with precision and accuracy ranging from 1.0 to 2.1% and from 96.7 to 110.8%, respectively. Intra‐ and inter‐day precision and accuracy values were within 15%. No significant matrix effect was observed for all analytes. Clinical application was successfully evaluated in 259 samples from patients treated for epilepsy or bipolar disorders. In conclusion, a rapid, specific and sensitive UHPLC/MS/MS method was developed and validated for simultaneous quantification of antiepileptic drugs, suitable for therapeutic drug monitoring in neurology and psychiatry.
Adherence to the World Cancer Research Fund/American Institute for Cancer Research lifestyle recommendations in colorectal cancer survivors: results of the PROFILES registry
Authors: Winkels Renate M. , van Lee Linde , Beijer Sandra , Bours Martijn J. , van Duijnhoven Fränzel J. B. , Geelen Anouk , Hoedjes Meeke , Mols Floortje , de Vries Jeanne , Weijenberg Matty P. , Kampman Ellen 
Published: July 2016

AbstractWe examined adherence to the eight The World Cancer Research Foundation/American Institute for Cancer Research (WCRF/AICR) recommendations on diet, physical activity, and body weight among colorectal cancer survivors, and whether adherence was associated with intention to eat healthy and with the need for dietary advice. Adherence to these recommendations may putatively reduce the risk of recurrence and death. Studies on adherence to these recommendations in colorectal cancer (CRC) survivors are lacking. Adherence was assessed in a cross‐sectional study among 1196 CRC survivors and could range between 0 (no adherence) and 8 points (complete adherence). Participants completed questionnaires on dietary intake, physical activity, and body weight. Prevalence Ratios were calculated to assess whether adherence to recommendations were associated with dietary intentions and needs. Twelve percentage of the survivors adhered to 6 or more recommendations; 65% had a score between >4 and 6 points; 23% scored no more than 4 points. The recommendation for to be modest with consumption of meat showed lowest adherence: 8% adhered; whereas the recommendation not to use dietary supplements showed highest adherence (75%). 18% reported a need for dietary advice, but this was not associated with adherence to recommendations. Survivors with higher adherence reported less often that they had received dietary advice, were less likely to have the intention to eat healthier, but reported more often that they had changed their diet since diagnosis. There is ample room for improvement of lifestyle recommendations in virtually all CRC survivors. A minor part of CRC survivors expressed a need for dietary advice which was not associated with adherence to the recommendations.
Impact of treatment time‐related factors on prognoses and radiation proctitis after definitive chemoradiotherapy for cervical cancer
Authors: Huang Eng‐Yen , Lin Hao , Wang Chong‐Jong , Chanchien Chan‐Chao , Ou Yu‐Che 
Published: July 2016

AbstractThis study aimed to investigate the impact of treatment time‐related factors on outcomes and radiation proctitis in patients undergoing concurrent chemoradiotherapy (CCRT) for cervical cancer. From September 2001 to December 2012, 146 patients with stage IIB cervical squamous cell carcinoma treated with CCRT were reviewed from a prospective cohort. Patients who received the same dose (45 Gy) of external beam radiation therapy (EBRT) were included in the analysis (n = 125). The same equivalent dose of 2 Gy (EQD2) of high‐dose‐rate intracavitary brachytherapy (HDR‐ICBT) was delivered at either 4 fractions of 6 Gy or 6 fractions of 4.5 Gy. The effects of the overall treatment time (OTT) and interval between EBRT and HDR‐ICBT on the cancer‐specific survival (CSS), local recurrence (LR), and incidence of proctitis were compared. The treatment time‐related factors did not adversely affect the CSS and LR rates. The multivariate analyses did not identify the OTT as an independent factor of CSS (P = 0.839) and LR (P = 0.856). However, OTT ≤56 days (P = 0.026) was identified as the only independent factor of overall proctitis. The 5‐year Grade 2 or greater proctitis rates were 14.9% and 0% (P = 0.001) in patients with the EBRT to ICBT interval ≤5 days and >5 days, respectively. To reduce rectal damage without compromising prognosis, the gap between EBRT and HDR‐ICBT should exceed 5 days in cervical cancer patients undergoing CCRT. Strictly limiting the OTT to 56 days may result in radiation proctitis without improvements in prognosis.
Multilevel Changes in Protein Dynamics upon Complex Formation of the Calcium‐Loaded S100A4 with a Nonmuscle Myosin IIA Tail Fragment
Authors: Pálfy Gyula , Kiss Bence , Nyitray László , Bodor Andrea 
Published: July 2016

AbstractDysregulation of Ca2+‐binding S100 proteins plays important role in various diseases. The asymmetric complex of Ca2+‐bound S100A4 with nonmuscle myosin IIA has high stability and highly increased Ca2+ affinity. Here we investigated the possible causes of this allosteric effect by NMR spectroscopy. Chemical shift‐based secondary‐structure analysis did not show substantial changes for the complex. Backbone dynamics revealed slow‐timescale local motions in the H1 helices of homodimeric S100A4; these were less pronounced in the complex form and might be accompanied by an increase in dimer stability. Different mobilities in the Ca2+‐coordinating EF‐hand sites indicate that they communicate by an allosteric mechanism operating through changes in protein dynamics; this must be responsible for the elevated Ca2+ affinity. These multilevel changes in protein dynamics as conformational adaptation allow S100A4 fine‐tuning of its protein–protein interactions inside the cell during Ca2+ signaling.
Influence of Linker Length on Conformational Preferences of Glycosylated Sugar Amino Acid Foldamers
Authors: Sunkari Yashoda Krishna , Alam Faiyaz , Kandiyal Pancham Singh , Aloysius Siriwardena , Ampapathi Ravi Sankar , Chakraborty Tushar Kanti 
Published: July 2016

AbstractGlycosylation of foldamers derived from furanoid sugar amino acids with mannose and a propyltriazole linker results in an unprecedented 16/10 mixed‐turn structure in the glycopeptides in water, with a preference for the higher‐order structure irrespective of the stereochemistry of the starting foldamer. This is in stark contrast to the structures displayed by the same oligomers in water when mannosylated with a two‐carbon‐shorter methyltriazole linker: 16‐membered turn structure in the cis‐foldamer and 10‐membered in its trans congener. This demonstrates the defining influence of the linker length on the structural preference of these novel glycopeptide mimics.
Topsy‐turvy by the Belly Dancer
Authors: Maud Alberto , Qureshi Ihtesham A. , Cruz‐Flores Salvador , Rodriguez Gustavo J. 
Published: July 2016

Key Clinical MessageIn our patient presenting with abdominal myoclonus, it is important to understand its pathophysiology. Various etiologies need to be taken into consideration before coming to a conclusion. The finding on Magnetic resonance imaging (MRI)‐Spine disclosing cervical lesion may just be an incidental finding.
Aorto‐esophageal fistula: the multi‐disciplinary team approach to management
Authors: Wormald Justin C. R. , Dindyal Shiva , Thomas Robert , Peters Christopher John , Sritharan Kaji 
Published: July 2016

Key Clinical MessageAorto‐esophageal fistula is often a terminal event in many patients. The commonest causes are thoracic aortic aneurysm and esophageal malignancy. To achieve a good outcome in this condition, a MDT approach is required that combines the expertize of vascular surgeons, radiologists, and emergency physicians.
Primary malignant myelomatous pleural effusion
Authors: Mangla Ankit , Agarwal Nikki , Kim George J. , Catchatourian Rosalind 
Published: July 2016

Key Clinical MessagePrimary malignant myelomatous pleural effusion (PMMPE) occurs in less than 1% of patients with multiple myeloma and is diagnosed either by visualization of plasma cells on cytology or by positive flow cytometry. The presence of immature plasma cells characterized by high nucleus to cytoplasm ratio, visible nucleolus and presence of Mott cells and Russell bodies are independent poor prognostic factors. The clinician should differentiate PMMPE from secondary pleural effusion as it is associated with a significantly worse prognosis and poor overall survival.
Solvent‐Switchable Regioselective Synthesis of Aurones and Flavones Using Palladium‐Supported Amine‐Functionalized Montmorillonite as a Heterogeneous Catalyst
Authors: Chavan Sujit P. , Bishwa Bidita Varadwaj G. , Parida Kulamani M. , Bhanage Bhalchandra M. 
Published: July 2016

AbstractWe report the use of Pd0APTES@K10 (APTES=(3‐aminopropyl)triethoxysilane) as a heterogeneous catalyst for the regioselective synthesis of aurones and flavones from the carbonylative cyclization of 2‐iodophenol with terminal alkynes. This work emphasizes the role of the solvent on the mode of cyclization, that is, 5‐exo or 6‐endo. The 5‐exo products (aurones) were predominant over the 6‐endo products (flavones) in 1,2‐dimethoxyethane (DME), and a reversal of regioselectivity was observed in DMF to favor the 6‐endo product. This protocol provides a simple one‐pot access to a wide variety of aurone and flavone derivatives under mild reaction conditions. The heterogeneous Pd0APTES@K10 catalyst was characterized using several techniques. Furthermore, the catalyst could be reused in up to four consecutive cycles without a significant loss in catalytic activity.
Electronic Structure Modulation in an Exceptionally Stable Non‐Heme Nitrosyl Iron(II) Spin‐Crossover Complex
Authors: Piñeiro‐López Lucía , Ortega‐Villar Norma , Muñoz M. Carmen , Molnár Gábor , Cirera Jordi , Moreno‐Esparza Rafael , Ugalde‐Saldívar Víctor M. , Bousseksou Azzedine , Ruiz Eliseo , Real José A. 
Published: July 2016

AbstractThe highly stable nitrosyl iron(II) mononuclear complex [Fe(bztpen)(NO)](PF6)2 (bztpen=N‐benzyl‐N,N′,N′‐tris(2‐pyridylmethyl)ethylenediamine) displays an S=1/2↔S=3/2 spin crossover (SCO) behavior (T1/2=370 K, ΔH=12.48 kJ mol−1, ΔS=33 J K−1 mol−1) stemming from strong magnetic coupling between the NO radical (S=1/2) and thermally interconverted (S=0↔S=2) ferrous spin states. The crystal structure of this robust complex has been investigated in the temperature range 120–420 K affording a detailed picture of how the electronic distribution of the t2g–eg orbitals modulates the structure of the {FeNO}7 bond, providing valuable magneto–structural and spectroscopic correlations and DFT analysis.
Analysis of the Electronic Structure of Aqueous Urea and Its Derivatives: A Systematic Soft X‐Ray–TD‐DFT Approach
Authors: Tesch Marc F. , Golnak Ronny , Ehrhard Felix , Schön Daniela , Xiao Jie , Atak Kaan , Bande Annika , Aziz Emad F. 
Published: July 2016

AbstractSoft X‐ray emission (XE), absorption (XA), and resonant inelastic scattering (RIXS) experiments have been conducted at the nitrogen K‐edge of urea and its derivatives in aqueous solution and were compared with density functional theory and time‐dependent density functional theory calculations. This comprehensive study provides detailed information on the occupied and unoccupied molecular orbitals of urea, thiourea, acetamide, dimethylurea, and biuret at valence levels. By identifying the electronic transitions that contribute to the experimental spectral features, the energy gap between the highest occupied and the lowest unoccupied molecular orbital of each molecule is determined. Moreover, a theoretical approach is introduced to simulate resonant inelastic X‐ray scattering spectra by adding an extra electron to the lowest unoccupied molecular orbital, thereby mimicking the real initial state of the core‐electron absorption before the subsequent relaxation process.