bluuebunny/crossref_metadata_2025_split huggingface dataset:
Systematic Review and Meta‐Analysis of Real‐World Studies Evaluating Rivaroxaban for Cancer‐Associated Venous Thrombosis
Authors: Martinez Brandon K. , Sheth Jit , Patel Nishi , Baker William L. , Coleman Craig I. 
Published: March 2018

IntroductionWhile not designated as guideline‐recommended first‐line anticoagulation therapy, about one in five patients in the United States receive rivaroxaban for the treatment of cancer‐associated venous thrombosis (CAT).MethodsA systematic review and meta‐analysis were performed to evaluate the incidences of recurrent venous thromboembolism (VTE), major bleeding, and all‐cause mortality in rivaroxaban patients treated for CAT in routine practice. Literature searches of MEDLINE and SCOPUS were performed through September 2017 to identify real‐world studies of ≥ 20 patients evaluating the incidence of recurrent VTE, major bleeding, or all‐cause mortality in CAT patients anticoagulated with rivaroxaban. Using a Hartung‐Knapp random‐effects model, the pooled incidence estimates and 95% confidence intervals (CIs) were calculated for each end point.ResultsSix studies evaluating rivaroxaban for CAT were identified. Of these, three were prospective and three were retrospective. Study sample sizes ranged from 41 to 949 patients, and duration of follow‐up ranged from 164 to 496 days. The most frequent active cancer sites reported in studies were gastrointestinal (range: 12.0–56.0%), genitourinary (range: 8.6–26.0%), and breast (range: 9.3–25.5%). The weighted average incidences of recurrent VTE, major bleeding, and all‐cause mortality were 4.2% (95% CI = 2.6–6.6%; I2 = 31%), 2.9% (95% CI = 1.6–5.0%; I2 = 59%), and 16.1% (95% CI = 6.0–36.6%; I2 = 96%).ConclusionsThis meta‐analysis suggests that incidences of recurrent VTE and major bleeding among rivaroxaban‐managed patients are not dissimilar to those seen in recent randomized trials of anticoagulation in CAT. The pooled incidence for mortality was lower than reported in many anticoagulation CAT trials. This may suggest that rivaroxaban is being used in CAT patients who have less severe cancer.
Characterization of thermally crosslinkable polyester films by thermomechanical analysis: a versatile and very sensitive technique for the evaluation of low crosslinking degree in polymers
Authors: Prataviera Rogério , Pessan Luiz Antonio , Carvalho Antonio José Felix 
Published: March 2018

AbstractThermomechanical analysis (TMA) is an effective technique for the characterization of small samples such as thin films of micrometric thickness, allowing the determination of thermal events such as glass transition, softening temperature and thermal expansion. Here we describe use of the TMA technique to investigate the drying and curing properties of polyester thin films ranging from 40 to 70 μm thick. The main purpose of this study was to investigate the effects of residual solvent and crosslinking on the glass transition and softening temperatures of the polyester films subjected to thermal cycling. Despite the fact that the analysed films were thinner than 100 μm, TMA proved to be very sensitive to small changes in residual solvent content and to the effects of the degree of crosslinking on the glass transition and softening temperatures of the polymer films. The most important finding is the possibility of detecting very small degrees of crosslinking in an easy, fast and quantitative way. Other methods such as swelling were not sensitive enough to differentiate the crosslinked samples and data for thicker films are not comparable to the data for thin films. © 2018 Society of Chemical Industry
Sulfonated poly(butylene succinate) as a pseudo‐random copolymer: effect of sulfonate groups on microstructure and thermal behavior
Authors: Kaykha Yasin , Rafizadeh Mehdi 
Published: March 2018

AbstractThe positional effect of sulfonate groups on poly(butylene succinate) (PBS) microstructure was investigated. In this regard, unsaturated poly(butylene fumarate) (PBF) and poly(butylene succinate‐ran‐fumarate) copolymers, synthesized via esterification/polycondensation reactions, were modified through post‐polymerization modification. The progress of the PBF sulfonation reaction was analyzed via 1H NMR, dynamic light scattering and field emission SEM. The microstructure and thermal behavior of the functional polyesters were studied through DSC, TGA, elemental analysis and 1H NMR. Based on the results, the sulfonation reaction of unsaturated polymer chains, which are not experiencing a phase separation, is instantaneous, but sulfonation of the chains that have formed colloidal particles is a time‐consuming process. Surprisingly, the outcomes of 1H NMR analysis revealed a kind of heterogeneity along the fully sulfonated PBS backbone, similar to what is usually observed for copolymers. This is due to the ability of sulfonate groups to locate in different sites and create various block types. Due to the attraction between sulfonate groups, they tend to attach to the chain such that they provide the greatest number of second type blocks (containing two sulfonate groups). The randomness of sulfonated polymers after the sulfonation reaction was increased compared to that of the corresponding unsaturated copolymers. Increasing the content of sulfonate groups also led to a significant decrease in the thermal resistance (ca 120 °C) and crystallinity, along with a dramatic increase in ash content and Tg (up to 156 °C). © 2018 Society of Chemical Industry
Polymers beyond standard optical fibres – fabrication of microstructured polymer optical fibres
Authors: Arrospide Eneko , Durana Gaizka , Azkune Mikel , Aldabaldetreku Gotzon , Bikandi Iñaki , Ruiz‐Rubio Leire , Zubia Joseba 
Published: March 2018

ABSTRACTThis paper reports the overall fabrication process of microstructured polymer optical fibres (mPOFs). mPOF fabrication involves a two‐step process: on the one hand, the design and creation of a preform containing a large‐scale version of the desired fibre and, on the other, the precise heating and drawing of the preform to the final fibre. The preforms are produced either by an improved drilling technique or by capillary stacking. For a correct and accurate drawing of the fibre, a controlled and precise heating unit has to be designed, an issue that will be explained in detail in this work. The quality and optical performance of the final mPOF depends strongly on key factors such as the preform annealing, the accuracy of the technique selected for the creation of the preform structure, the heating stage, as well as on the drawing parameters. All of them are analysed in detail and some drawn mPOFs of interest are reported as well. © 2018 Society of Chemical Industry
Fabrication and analysis of side‐emitting poly(methyl methacrylate) fibres with non‐circular cross‐sections
Authors: Bunge Christian‐Alexander , Mohr Benjamin , Vad Thomas , Beckers Markus , Gries Thomas 
Published: March 2018

ABSTRACTWe present a novel type of side‐light‐emitting fibre with trilobal cross‐section. The fibre is especially designed for indirect illumination applications and the special shape of the filament cross‐section permits the formation of a distinct asymmetric radiation pattern. These fibres can focus the radially emitted light on particular locations, e.g. in order to cure resins or polymers at well‐defined positions, or may be used as indirect illumination sources in car interiors. The polymer material is commercial optical‐grade poly(methyl methacrylate) (PMMA) that is compounded with different concentrations of a TiO2‐nanofiller‐modified PMMA. © 2018 Society of Chemical Industry
Structural and thermochemical properties of methyl ethyl sulfide alcohols: HOCH2SCH2CH3, CH3SCH(OH)CH3, CH3SCH2CH2OH, and radicals corresponding to loss of H atom
Authors: Song Guanghui , Bozzelli Joseph W. 
Published: March 2018

AbstractSulfide alkoxy radicals are important intermediates during the partial oxidation of alkyl sulfides in atmospheric chemistry and in combustion. The atmospheric reaction sequence to formation of the alkoxy radicals includes (1) initial reaction with OH to create a radical on a carbon site, (2) the carbon radical then associates with 3O2 to form a peroxy radical, and (3) an NO radical reacts with the peroxy radical to form an alkoxy radical (RO•) plus NO2. This study determines structural parameters, internal rotor potentials, bond dissociation energies, and thermochemical properties (ΔfH°, S°, and Cp(T)) of 3 corresponding alcohols HOCH2SCH2CH3, CH3SCH(OH)CH3, and CH3SCH2CH2OH of methyl ethyl sulfides studied in order to characterize the thermochemistry of the respective alkoxy radicals. The lowest energy molecular structures were calculated using the B3LYP density functional level of theory with the 6‐311G(2d,d,p) basis set. Standard enthalpies of formation (ΔfH°298) for the radicals and their parent molecules were calculated using B3LYP/6‐31 + G(2d,p), CBS‐QB3, M062x/6‐311 + g(2d,p), and G3MP2B3 methods. Isodesmic reactions were used to determine ∆fH° values. Internal rotation potential energy diagrams and rotation barriers were investigated using the B3LYP/6‐31 + G(d,p) level theory. The contributions for S°298 and Cp(T) were calculated using the rigid rotor harmonic oscillator approximation based on the structures and vibrational frequencies obtained by CBS‐QB3 calculations, with contributions from torsion frequencies replaced by internal rotor contributions. Group additivity and hydrogen bond increment values were developed for estimating properties of structurally similar and larger sulfur‐containing peroxide molecules and their radicals.
A highly selective fluorescent chemosensor for Cu2+ based on a diarylethene with a 2,1,3‐benzoxadiazole unit
Authors: Zhang Zhihui , Liu Hongliang , Pu Shouzhi 
Published: March 2018

AbstractA novel photochromic diarylethene containing a 2,1,3‐benzoxadiazole structure has been synthesized and its multicontrollable fluorescence properties have been systematically studied by the stimulation of light and metal ions. The compound exhibited favorable photochromism and fluorescent switching properties. Furthermore, it can serve as a fluorescent chemosensor for highly selective recognition of Cu2+ in aqueous acetonitrile. When triggered by Cu2+, it displayed a remarkable blue shift from 594 to 524 nm (70 nm) with a significant fluorescence color change from yellow to bright green. As a result, a logic circuit has also been constructed on the basis of light and chemical stimulation.
Dichloromethane as solvent and reagent: a case study of photoinduced reactions in mixed phosphonium‐iodonium ylide
Authors: Levina Irina I. , Klimovich Olga N. , Vinogradov Dmitrii S. , Podrugina Tatyana A. , Bormotov Denis S. , Kononikhin Alexey S. , Dement'eva Olga V. , Senchikhin Ivan N. , Nikolaev Evgeny N. , Kuzmin Vladimir A. , Nekipelova Tatiana D. 
Published: March 2018

AbstractSeveral years ago the photoinduced reaction of mixed phosphonium‐iodonium ylides (1) with acetylenes (2) to give λ5‐phosphinolines (3) and substituted furans (4) was described. This reaction is one‐pot, metal‐free synthesis of heterocycles 3 and 4 with the yields of 40% to 80%. The reaction proceeds only in dichloromethane (DCM) at the high ylide concentrations (>0.01 mol/L). The product analysis by 31P NMR, electrospray ionization mass spectrometry, UV‐vis spectrophotometry, and the dynamic light scattering study of the self‐aggregation of the ylide in DCM showed a dual role of the solvent in the photoinduced reactions of mixed phosphonium‐iodonium ylide: (i) at the low ylide concentrations (<0.01 mol/L), the conjugated photoinitiation of the chain reaction in DCM results in the formation of chlorine‐containing products and (ii) at the high ylide concentrations (>0.01 mol/L), the photolysis mechanism is determined by self‐organization of the ylide molecules to give large stable aggregates in DCM, in which the target heterocycles are synthesized. Two important issues follow from the study. First, the annulation reaction between mixed phosphonium‐iodonium ylide and acetylenes occurs only when the reactive intermediates are in close proximity to one other, and, second, DCM is not inert reagent in reactions occurring with participation of radicals and in one form or another can participate in photoinduced radical reactions of various solutes.
An emerging post‐polymerization modification technique: The promise of thiol‐para‐fluoro click reaction
Authors: Agar Soykan , Baysak Elif , Hizal Gurkan , Tunca Umit , Durmaz Hakan 
Published: March 2018

ABSTRACTPost‐polymerization modification (PPM) of polymers is extremely beneficial in terms of designing brand new synthetic pathways toward functional complex polymers. Fortunately, the new developments in the field of organic chemistry along with controlled/living radical polymerization (CLRP) techniques have enabled scientists to readily design and synthesize the functionalized‐polymers for wide range of applications via the PPM. In this regard, the reactivity of para‐fluorine atom in the fluorinated aromatic structures toward the nucleophilic substitution reactions has made the polymers possessing this group to become a very strong candidate that can undergo efficient PPM. Besides, it has been proven that the thiol‐functionalized compounds react with the para‐fluorine atom of the pentafluorophenyl group more rapidly and efficiently than the amine‐ and the hydroxyl‐functionalized compounds. Furthermore, the milder experimental conditions to achieve quantitative conversions have led to the reaction between the thiol and the structures possessing pentafluorophenyl groups to be referred to as a click‐type reaction. Given this information, this review article aims to present the scientific developments regarding the thiol‐para‐fluoro “click” (TPF‐click) chemistry, and its impact on PPM to construct novel polymeric structures. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1181–1198
A computational structure–property relationship study of glass transition temperatures for a diverse set of polymers
Authors: Chen Min , Jabeen Farukh , Rasulev Bakhtiyor , Ossowski Martin , Boudjouk Philip 
Published: March 2018

ABSTRACTThe glass transition temperature (Tg) is one of the most important properties affecting the stability of a polymeric material. A cheminformatics‐based approach has been employed to investigate the glass transition temperatures for a set of polymers. Specifically, a set of 80 polymers was used to build a quantitative structure–property relationship (QSAR). By applying a combination of cheminformatics methods, several predictive models were developed consisting of 1–10 physicochemical variables. The best predictive model, which is based on seven descriptors, successfully predicts the glass transition temperatures for the investigated polymers. Furthermore, the best developed model identified several significant descriptors responsible for glass transition temperatures of the investigated polymers with a correlation coefficient of r2 = 0.77. The computational model derived from this study may serve as a powerful tool to predict glass transition temperatures for various polymers. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 877–885
Deep insights into the hydrolysis of N,N‐dialkylaminoethyl methacrylates in aqueous solution with 1H NMR spectroscopy
Authors: Zheng Pengfei , Su Xin , Fei Chenhong , Shi Xiaohuo , Yin Hongyao , Feng Yujun 
Published: March 2018

ABSTRACTN,N‐dialkylaminoethyl methacrylate (DAEA) monomers are extensively used to prepare multi‐responsive polymers. However, these monomers face high risk of hydrolysis in their ester groups when being polymerized in water‐containing medias. Here, NMR spectroscopy was employed to continuously track the hydrolysis and solubility of four widely used DAEA monomers [CH2CH2R1COO(CH2)2N(R2)2; R1 = H or CH3; R2 = CH3, CH2CH3 or CH(CH3)2] under typical polymerization conditions. With this technique, the hydrolysis reactivity and absolute hydrolysis amount of these monomers are separately examined, and then their kinetic correlations with solubility, molecular structure, pH, and temperature are established, so that the hydrolysis of DAEA monomers and even other esters with similar cyclic structure can be predicted. The present efforts are expected to provide a general understanding for the hydrolysis of all the DAEA monomers, benefitting to the optimization of polymerization toward well‐defined DAEA copolymers, as well as the design of smart soft matter for specific applications. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 914–923
Explosive Properties of a High Explosive Composition Based on Cis‐1,3,4,6‐tetranitrooctahydroimidazo‐[4,5‐d]imidazole and 1,1‐Diamino‐2,2‐dinitroethene (BCHMX/FOX‐7)
Authors: Hussein Ahmed K. , Elbeih Ahmed , Jungova Marcela , Zeman Svatopluk 
Published: March 2018

AbstractIn this work, preparation and characterization of a plastic bonded explosive (PBX) based on a mixture of cis‐1,3,4,6‐tetranitrooctahydroimidazo‐[4,5‐d]imidazole (BCHMX) and 1,1‐diamino‐2,2‐dinitroethene (DADNE or FOX‐7) bonded by poly‐dimethyl siloxane binder (PDMS) were investigated. Impact and friction sensitivities were determined. Detonation velocity was measured and the detonation characteristics were determined by the EXPLO 5 thermodynamic code. Relative explosive strength was determined using the ballistic mortar test. For comparison, four individual cyclic nitramines, RDX (1,3,5‐trinitro‐1,3,5‐triazinane), β‐HMX (β‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocane), BCHMX and ϵ‐CL20 (ϵ‐2,4,6,8,10,12‐hexanitro‐2,4,6,8,10,12‐hexaazaisowurtzitane, ϵ‐HNIW) in addition to their PBXs bonded by the same polymeric matrix were studied. Also traditional plastic explosives such as Czech plastic explosive (SEMTEX 10) and Egyptian Plastic Explosive (EPX‐1) were included in the study. The results confirmed that BCHMX/FOX7‐Sil has the lowest impact and friction sensitivity of all the studied samples and its detonation velocity and pressure are higher than the traditional PETN plastic explosives.
Experimental Determination of Acceleration of Explosively Driven Metal by Photonic Doppler Velocimetry in the Process of Explosive Welding
Authors: Kucera Jindrich , Anastacio Aline Cardoso , Nesvadba Petr , Kunzel Martin , Selesovsky Jakub , Pachman Jiri 
Published: March 2018

AbstractTwo important parameters reflect in the quality of the interface of two explosively welded metal plates – impact velocity and collision angle. Both parameters can be determined from the knowledge of velocity history of the accelerated surface. A suitable measurement methodology that would allow in‐situ determination of the course of acceleration at a technological scale experiments is however not yet available. One of the emerging options enabling such measurements is Photonic Doppler Velocimetry (PDV). This paper focuses on the issues observed during measurement of metal plate acceleration in explosive welding using this technique. A well‐known combination in which copper plate is accelerated by detonation and welded to a steel baseplate was chosen for small scale experiments. The methodology was further employed at a large scale technological tests were two different steel plates were joined by detonation. The PDV proved to be successful in determination of the entire velocity history and provides unprecedented insight into the welding process. The knowledge of the velocity time history enables optimization of the impact velocity and collision angle without having to modify the explosive composition. A methodology of velocity measurement of the entire velocity profile of accelerated plate and its collision velocity during metal welding was developed. In addition, we are proposing a new way of optimizing welding parameters based on the exact velocity and thus a collision angle calculation.
Structural basis for the flexible recognition of α‐glucan substrates by Bacteroides thetaiotaomicron SusG
Authors: Arnal Gregory , Cockburn Darrell W. , Brumer Harry , Koropatkin Nicole M. 
Published: March 2018

AbstractBacteria that reside in the mammalian intestinal tract efficiently hydrolyze dietary carbohydrates, including starch, that escape digestion in the small intestine. Starch is an abundant dietary carbohydrate comprised of α1,4 and α1,6 linked glucose, yet mammalian intestinal glucoamylases cannot effectively hydrolyze starch that has frequent α1,6 branching as these structures hinder recognition and processing by α1,4‐specific amylases. Here we present the structure of the cell surface amylase SusG from Bacteroides thetaiotaomicron complexed with a mixed linkage amylosaccharide generated from transglycosylation during crystallization. Although SusG is specific for α1,4 glucosidic bonds, binding of this new oligosaccharide at the active site demonstrates that SusG can accommodate α1,6 branch points at subsite −3 to −2, and also at subsite+1 adjacent to the site of hydrolysis, explaining how this enzyme may be able to process a wide range of limit dextrins in the intestinal environment. These data suggest that B. thetaiotaomicron and related organisms may have a selective advantage for amylosaccharide scavenging in the gut.
Exploring the role of post‐translational modifications in regulating α‐synuclein interactions by studying the effects of phosphorylation on nanobody binding
Authors: El Turk Farah , De Genst Erwin , Guilliams Tim , Fauvet Bruno , Hejjaoui Mirva , Di Trani Justin , Chiki Anass , Mittermaier Anthony , Vendruscolo Michele , Lashuel Hilal A. , Dobson Christopher M. 
Published: March 2018

AbstractIntracellular deposits of α‐synuclein in the form of Lewy bodies are major hallmarks of Parkinson's disease (PD) and a range of related neurodegenerative disorders. Post‐translational modifications (PTMs) of α‐synuclein are increasingly thought to be major modulators of its structure, function, degradation and toxicity. Among these PTMs, phosphorylation near the C‐terminus at S129 has emerged as a dominant pathogenic modification as it is consistently observed to occur within the brain and cerebrospinal fluid (CSF) of post‐mortem PD patients, and its level appears to correlate with disease progression. Phosphorylation at the neighboring tyrosine residue Y125 has also been shown to protect against α‐synuclein toxicity in a Drosophila model of PD. In the present study we address the potential roles of C‐terminal phosphorylation in modulating the interaction of α‐synuclein with other protein partners, using a single domain antibody fragment (NbSyn87) that binds to the C‐terminal region of α‐synuclein with nanomolar affinity. The results reveal that phosphorylation at S129 has negligible effect on the binding affinity of NbSyn87 to α‐synuclein while phosphorylation at Y125, only four residues away, decreases the binding affinity by a factor of 400. These findings show that, despite the fact that α‐synuclein is intrinsically disordered in solution, selective phosphorylation can modulate significantly its interactions with other molecules and suggest how this particular form of modification could play a key role in regulating the normal and aberrant function of α‐synuclein.