bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development and validation of a high‐performance liquid chromatography method for the quantification of talazoparib in rat plasma: Application to plasma protein binding studies
Authors: Hidau Mahendra Kumar , Kolluru Srikanth , Palakurthi Srinath 
Published: July 2017

AbstractA sensitive and selective RP‐HPLC method has been developed and validated for the quantification of a highly potent poly ADP ribose polymerase inhibitor talazoparib (TZP) in rat plasma. Chromatographic separation was performed with isocratic elution method. Absorbance for TZP was measured with a UV detector (SPD‐20A UV–vis) at a λmax of 227 nm. Protein precipitation was used to extract the drug from plasma samples using methanol–acetonitrile (65:35) as the precipitating solvent. The method proved to be sensitive and reproducible over a 100–2000 ng/mL linearity range with a lower limit of quantification (LLQC) of 100 ng/mL. TZP recovery was found to be >85%. Following analytical method development and validation, it was successfully employed to determine the plasma protein binding of TZP. TZP has a high level of protein binding in rat plasma (95.76 ± 0.38%) as determined by dialysis method.
Effect of the Polyphenol Rich Ethyl Acetate Fraction from the Leaves of Lycium chinenseMill. on Oxidative Stress, Dyslipidemia, and Diabetes Mellitus in Streptozotocin‐Nicotinamide Induced Diabetic Rats
Authors: Olatunji Opeyemi J. , Chen Hongxia , Zhou Yifeng 
Published: July 2017

Lycium chinenseMill., popularly known as boxthorn, is a plant that is traditionally used for treating night sweat, cough, inflammation and diabetes mellitus. However, the leaves have received little or no attention despite their potentials as a potent therapeutic agent. This study was aimed at investigating the hypoglycemic and hypolipidemic effects of the polyphenols‐rich ethyl acetate fraction from the leaves of Lycium chinenseMill. on streptozotocin‐nicotinamide induced diabetic rats. The ethyl acetate fraction (LFE) was selected and orally gavaged at 100, 200, and 400 mg/kg dose to streptozotocin (STZ)‐nicotinamide induced diabetic rats. The rats’ body weight, fasting blood glucose (FBG), lipid profile and oxidative stress markers were evaluated after the treatment period. Treatment with LFE resulted in a significant decrease in the FBG level, altered lipid profiles, and reduced the activities of the enzymes alkaline phosphatase (ALP), aspartate transaminase (AST), alanine transaminase (ALT) in the treated diabetic rats. Furthermore, LFE significantly elevated the antioxidant status (superoxide dismutase (SOD), catalase (CAT) and glutathione peroxidase (GSH‐Px) activities) and reducing malondialdehyde (MDA) levels in the treated rats. The present study has revealed that L. chinenseMill. possess anti‐hyperglycemic and anti‐hyperlipidemic properties which is mediated through modulation of oxidative stress and polyphenolics might be responsible for the action.
Chemical Compositions and Antioxidant Activities of Essential Oils Extracted from the Petals of Three Wild Tree Peony Species and Eleven Cultivars
Authors: Zhang Xiao‐Xiao , Sun Jia‐Yi , Niu Li‐Xin , Zhang Yan‐Long 
Published: July 2017

The aim of this study was to investigate the essential oil (EO) compositions and antioxidant activities from petals of three wild tree peony species (Paeonia delavayi, P. lutea, and P. rockii) and eleven P. suffruticosa cultivars from different cultivar groups. The EOs yields varied from 0.63% to 1.25% (v/v) among samples when using supercritical CO2 extraction. One hundred and sixty‐three components were detected by GC/MS; and among them, linalool oxide, (Z)‐5‐dodecen‐1‐yl acetate, nonadecane, (Z)‐5‐nonadecene, heneicosane, phytol, and linoleic acid ethyl ester were dominant. According to hierarchical cluster analysis, principal component analysis and correspondence analysis, P. lutea, P. delavayi, and ‘High Noon’ were clustered in a group described as having a refreshing herbal‐like note due to high rates of phytol and linalool oxide. Notably, P. lutea and P. delavayi also had strong DPPH and ABTS radical scavenging activities. These results suggest that P. lutea and P. delavayi are the most promising candidates as useful sources of fragrances and natural antioxidants.
Processes of change in an offender personality disorder pathway prison progression unit
Authors: McMurran Mary , Delight Steve 
Published: July 2017

AbstractBackgroundIn England, the National Offender Management Service and the NHS have come together to try and improve management and treatment of offenders with personality disorder by developing a pathways approach to assist high‐risk male offenders with severe personality disorder.AimThe aim of the study is to investigate service user and staff perceptions of change in this pathway.MethodsSemi‐structured interviews were conducted with 16 prisoners and 16 staff in one unit in a London‐based personality disorder pathway. The four core questions were as follows: (1) what changes do you think have occurred?; (2) what do you think helped make these changes?; (3) how do you think this helped change?; and (4) what hindered positive change? Thematic analysis was applied to the narratives.ResultsPrisoners and staff separately reported similar changes, each observing that prisoners became less anti‐authority, improved their self‐understanding, developed feelings of self‐worth and increased their optimism about change. There was similar consensus on what they thought had brought about change – primarily development of trusting relationships. These allowed a psychological perspective on understanding prisoners' behaviour. Maintenance of this approach was seen as demanding, with barriers including ‘security restrictions’ curtailing purposeful activities, visits and community contact and ‘stigmatising beliefs about personality disorder’ in the wider prison.Implications for PracticeFindings suggest that shared goals and progress are achievable. Difficulties in sustaining these will require a range of solutions, but wider support from the prison is essential to containing hostility to such prisoners and specialised work and ensuring the provision of purposeful activity. Copyright © 2017 John Wiley & Sons, Ltd.
Examining the effect of social bonds on the relationship between ADHD and past arrest in a representative sample of adults
Authors: van der Maas Mark , Kolla Nathan J. , Erickson Patricia G. , Wickens Christine M. , Mann Robert E. , Vingilis Evelyn 
Published: July 2017

AbstractBackgroundSeveral studies have found a connection between attentional deficit hyperactivity disorder (ADHD) and criminal behaviour in clinical and prison samples of adults, but there is a lack of representative general population data on this.AimTo test relationships between histories of ADHD and arrest. Our main research question was whether any such relationship is direct or best explained by co‐occurring variables, especially indicators of social bonds.MethodData were from a sample of 5,376 adults (18+) representative of the general population of Ontario, Canada. Logistic regression analysis was used to explore the relationship between self‐reported arrest on criminal charges and ADHD as measured by the Adult Self Report Scale (ASRS‐v1.1). Indicators of strong social bonds (post secondary education, household size) and weak bonds (drug use, antisocial behaviours, alcohol dependence) were also obtained at interview and included in the statistical models.ResultsIn a main effects model, screening positive for ADHD was twice as likely (OR 2.05 CI 1.30, 3.14) and past use of medications for ADHD three times as likely (OR 3.94 CI 2.46, 6.22) to be associated with ever having been arrested. These associations were no longer significant after controls for weak and strong social bonds were added to the models. In the best fitting statistical model, ever having been arrested was not associated with ADHD, but it was significantly associated with indicators of strong and weak social bonds.ConclusionsThe observed connection between ADHD and criminality may be better understood through their shared relationships with indicators of poor social bonds. These include antisocial behaviour more generally, but also drug use and failure to progress to any form of tertiary education, including vocational training. Copyright © 2017 John Wiley & Sons, Ltd.
High Durability and Performance of a Platinum Electrocatalyst Supported on Sulfonated Macromolecules Coated Carbon Nanotubes
Authors: Yang Zehui , Li Jing , Zhang Quan , Ling Ying , Yu Xinxin , Cai Weiwei 
Published: July 2017

AbstractLow durability and fuel cell performance block the widespread application of polymer electrolyte fuel cells (PEFCs). Here, we deposit platinum nanoparticles on carbon nanotubes (CNTs) before coating by end‐capped hyperbranched sulfonated macromolecules (E‐HBM), which could provide sufficient proton conductivity in catalyst layer thanks to the presence of −SO3H groups. The fabricated electrocatalyst loses 43 % of initial electrochemical surface area (ECSA) after 200 000 potential cycles from 1.0 V to 1.5 V vs. RHE, which is 3 and 20 times higher than that of noncoated and commercial electrocatalysts, respectively. The mass and specific activities of newly fabricated electrocatalyst measured before and after durability test are 1.4 times higher than that of commercial carbon black/Pt. Nafion ionomer‐free membrane electrode assembly is fabricated from the newly designed electrocatalyst, and its fuel‐cell performance reaches 668 mW cm−2 with Pt loading of 0.1 mg cm−2, which is twice higher than that of commercial CB/Pt thanks to the homogeneous conductive macromolecules (E‐HBM) layers on CNTs acting as ionomer and facilitating the proton delivery in the catalyst layer.
Monodispersed Mesoporous Silica Spheres Supported Co3O4 as Robust Catalyst for Oxygen Evolution Reaction
Authors: Deng Xiaohui , Rin Ritsu , Tseng Jo‐Chi , Weidenthaler Claudia , Apfel Ulf‐Peter , Tüysüz Harun 
Published: July 2017

AbstractMonodispersed mesoporous silica spheres (MSS) with fibrous nanostructure and highly open porosity were fabricated by a facile one‐pot synthetic route and loaded with Co3O4 nanoclusters for catalyzing the oxygen evolution reaction with Ru(bpy)32+–S2O82− photosensitizer and sacrificial reagent system. The effect of the loading amount on the morphology and microstructure of Co3O4 was investigated and it was found that lower Co3O4 content in the composite materials results in smaller crystallite size, which in turn leads to significantly enhanced oxygen evolution activity. Furthermore, owing to the monodispersity of the spheres and good accessibility of active species offered by the fibrous pore structure, the material shows a clear advantage over nonsupported Co3O4 nanoparticles and the commonly used ordered mesoporous silica supports such as KIT‐6 and SBA‐15.
Computational Elucidation of a Role That Brønsted Acidification of the Lewis Acid‐Bound Water Might Play in the Hydrogenation of Carbonyl Compounds with H2 in Lewis Basic Solvents
Authors: Heshmat Mojgan , Privalov Timofei 
Published: July 2017

AbstractBrønsted acidification of water by Lewis acid (LA) complexation is one of the fundamental principles in chemistry. Using transition‐state calculations (TS), herein we investigate the role that Brønsted acidification of the LA‐bound water might play in the mechanism of the hydrogenation of carbonyl compounds in Lewis basic solvents under non‐anhydrous conditions. The potential energy scans and TS calculations were carried out with a series of eight borane LAs as well as the commonly known strong LA AlCl3 in 1,4‐dioxane or THF as Lewis basic solvents. Our molecular model consists of the dative LA‐water adduct with hydrogen bonds to acetone and a solvent molecule plus one additional solvent molecule that participates is the TS structure describing the cleavage of H2 at acetone's carbonyl carbon atom. In all the molecular models applied here, acetone (O=CMe2) is the archetypical carbonyl substrate. We demonstrate that Brønsted acidification of the LA‐bound water can indeed lower the barrier height of the solvent‐involving H2‐cleavage at the acetone's carbonyl carbon atom. This is significant because at present it is believed that the mechanism of the herein considered reaction is described by the same mechanism regardless of whether the reaction conditions are strictly anhydrous or non‐anhydrous. Our results offer an alternative to this belief that warrants consideration and further study.
Structural Study of a New HIV‐1 Entry Inhibitor and Interaction with the HIV‐1 Fusion Peptide in Dodecylphosphocholine Micelles
Authors: Pérez Yolanda , Gómara Maria José , Yuste Eloísa , Gómez‐Gutierrez Patricia , Pérez Juan Jesús , Haro Isabel 
Published: July 2017

AbstractPrevious studies support the hypothesis that the envelope GB virus C (GBV‐C) E1 protein interferes the HIV‐1 entry and that a peptide, derived from the region 139–156 of this protein, has been defined as a novel HIV‐1 entry inhibitor. In this work, we firstly focus on the characterization of the structural features of this peptide, which are determinant for its anti‐HIV‐1 activity and secondly, on the study of its interaction with the proposed viral target (i.e., the HIV‐1 fusion peptide). We report the structure of the peptide determined by NMR spectroscopy in dodecylphosphocholine (DPC) micelles solved by using restrained molecular dynamics calculations. The acquisition of different NMR experiments in DPC micelles (i.e., peptide–peptide titration, diffusion NMR spectroscopy, and addition of paramagnetic relaxation agents) allows a proposal of an inhibition mechanism. We conclude that a 18‐mer peptide from the non‐pathogenic E1 GBV‐C protein, with a helix–turn–helix structure inhibits HIV‐1 by binding to the HIV‐1 fusion peptide at the membrane level, thereby interfering with those domains in the HIV‐1, which are critical for stabilizing the six‐helix bundle formation in a membranous environment.
Ketone Formation from Carboxylic Acids by Ketonic Decarboxylation: The Exceptional Case of the Tertiary Carboxylic Acids
Authors: Oliver‐Tomas Borja , Renz Michael , Corma Avelino 
Published: July 2017

AbstractFor the reaction mechanism of the ketonic decarboxylation of two carboxylic acids, a β‐keto acid is favored as key intermediate in many experimental and theoretical studies. Hydrogen atoms in the α‐position are an indispensable requirement for the substrates to react by following this mechanism. However, isolated observations with tertiary carboxylic acids are not consistent with it and these are revisited and discussed herein. The experimental results obtained with pivalic acid indicate that the ketonic decarboxylation does not occur with this substrate. Instead, it is consumed in alternative reactions such as disintegration into isobutene, carbon monoxide, and water (retro‐Koch reaction). In addition, the carboxylic acid is isomerized or loses carbon atoms, which converts the tertiary carboxylic acid into carboxylic acids bearing α‐proton atoms. Hence, the latter are suitable to react through the β‐keto acid pathway. A second substrate, 2,2,5,5‐tetramethyladipic acid, reacted by following the same retro‐Koch pathway. The primary product was the monocarboxylic acid 2,2,5‐trimethyl‐4‐hexenoic acid (and its double bond isomer), which might be further transformed into a cyclic enone or a lactone. The ketonic decarboxylation product, 2,2,5,5‐tetramethylcyclopentanone was observed in traces (<0.2 % yield). Therefore, it can be concluded that the observed experimental results further support the proposed mechanism for the ketonic decarboxylation via the β‐keto acid intermediate.
Diverse Chiral Scaffolds from Diethynylspiranes: All‐Carbon Double Helices and Flexible Shape‐Persistent Macrocycles
Authors: Castro‐Fernández Silvia , Yang Ren , García A. Patricio , Garzón Ignacio L. , Xu Hai , Petrovic Ana G. , Alonso‐Gómez J. Lorenzo 
Published: July 2017

AbstractState‐of‐the‐art chiroptical spectroscopies are valuable tools for structural elucidation. However, the potential of these spectroscopies for everyday applications has not been exploited to date partially due to the lack of sufficiently stable and efficient chiroptical systems. To this end, the development of suitable chiroptical structures is essential. Herein, we present the synthesis of spiro‐compounds (P2)‐1 and (P4)‐2 as well as (M2)‐1 and (M4)‐2 exhibiting remarkable chiroptical responses. Theoretical simulations show that (P2)‐1, constituted by two (P)‐configured spiranic chiral axes, presents an all‐carbon double helix structure with (M)‐helicity. On the other hand, molecular dynamic simulations reveal (P4)‐2 to have a single path for geometry‐modification along its flat conformational space, certifying it as a chiral flexible shape‐persistent macrocycle. Geometric quantification of chirality has been used to compare the spiranic derivatives presented herein.
Enantioselective analysis of ibuprofen enantiomers in mice plasma and tissues by high‐performance liquid chromatography with fluorescence detection: Application to a pharmacokinetic study
Authors: Przejczowska‐Pomierny Katarzyna , Włodyka Monika , Cios Agnieszka , Wyska Elżbieta 
Published: July 2017

AbstractA direct fluorometric high‐performance liquid chromatography (HPLC) method was developed and validated for the analysis of ibuprofen enantiomers in mouse plasma (100 μl) and tissues (brain, liver, kidneys) using liquid–liquid extraction and 4‐tertbutylphenoxyacetic acid as an internal standard. Separation of enantiomers was accomplished in a Chiracel OJ‐H chiral column based on cellulose tris(4‐methylbenzoate) coated on 5 μm silica‐gel, 250 x 4.6 mm at 22 °C with a mobile phase composed of n‐hexane, 2‐propanol, and trifluoroacetic acid that were delivered in gradient elution at a flow rate of 1 ml min−1. A fluorometric detector was set at: λexcit. = 220 nm and λemis. = 290 nm. Method validation included the evaluation of the selectivity, linearity, lower limit of quantification (LLOQ), within‐run and between‐run precision and accuracy. The LLOQ for the two enantiomers was 0.125 μg ml−1 in plasma, 0.09 μg g−1 in brain, and 0.25 μg g−1 in for liver and kidney homogenates. The calibration curves showed good linearity in the ranges of each enantiomers: from 0.125 to 35 μg ml−1 for plasma, 0.09–1.44 μg g−1 for brain, and 0.25–20 μg g−1 for liver and kidney homogenates. The method was successfully applied to a pharmacokinetic study of ibuprofen enantiomers in mice treated i.v. with 10 mg kg−1 of racemate.
Enantioresolution and stereochemical characterization of two chiral sulfoxides endowed with COX‐2 inhibitory activity
Authors: Sardella Roccaldo , Ianni Federica , Di Michele Alessandro , Di Capua Angela , Carotti Andrea , Anzini Maurizio , Natalini Benedetto 
Published: July 2017

AbstractThe capacity of nonsteroidal antiinflammatory drugs (NSAIDs) to prevent prostanoids biosynthesis through the inhibition of COX‐2 enzyme is related to their structural backbone, based on the fusion of a cis‐stilbene unit with a variety of heterocyclic and carbocyclic rings. By this route, a series of new selective COX‐2 inhibitors was developed, by maintaining the 4‐methylsulfone or 4‐methylsulfonamide substituent on the phenyl moiety, essential for their activity. In this frame, two novel propyl sulfoxide derivatives were synthesized, which proved selective and sufficiently potent COX‐2 inhibition activity when tested as racemates. In the present study, the use of a cellulose tris(3,5‐dichlorophenylcarbamate)‐based chiral stationary phase, in a polar‐organic mode of elution, enabled the successful enantioseparation of the investigated compounds. The developed chromatography method reveals a useful tool of monitoring in view of a proper forthcoming enantioselective synthetic protocol. Moreover, the optimized chromatographic conditions allowed the isolation of appropriate amounts of single enantiomers for the electronic circular dichroism studies that, coupled with in silico simulations, allowed assessing the absolute configuration of each species.
Light Sources for Photochemical Processes – Estimation of Technological Potentials
Authors: Sender Maximilian , Ziegenbalg Dirk 
Published: July 2017

AbstractThis work theoretically evaluates light sources currently commercially available for the suitability to drive photoreactions. Comparative evaluation of different light sources reveals significant advantages of light‐emitting diodes (LEDs) in the near UV and visible region, underlining the general superiority of narrow‐band monochromatic light sources for photochemical processes. A generic analysis based on the average volumetric rate of photon absorption shows the limits resulting from physical fundamentals and the importance of the photon fluence rate for process intensification.
Synthesis of Quinoline and 1,2,3,4‐Tetrahydroquinoline Derivatives from Substituted o‐Nitrotoluenes via Cesium‐promoted [2 + 4] Cycloaddition
Authors: Guo Weijie , Yi Maocong , Wang Jianhui , Liu Guiyan 
Published: July 2017

An atom economical highly efficient method has been developed for the synthesis of quinoline and 1,2,3,4‐tetrahydroquinoline derivatives from o‐nitrotoluenes bearing electron‐withdrawing groups and olefins (acrylic esters, acrylonitriles, and methyl acrylates) via a base‐catalyzed [2 + 4] cycloaddition. This simple, rapid, and environment‐ friendly method provides a practical pathway for the synthesis of quinoline and 1,2,3,4‐tetrahydroquinoline derivatives. The starting materials are readily available and 37 products were obtained in good to excellent yields.
Longitudinal regret after treatment for low‐ and intermediate‐risk prostate cancer
Authors: Hurwitz Lauren M. , Cullen Jennifer , Kim Daniel J. , Elsamanoudi Sally , Hudak Jane , Colston Maryellen , Travis Judith , Kuo Huai‐Ching , Rice Kevin R. , Porter Christopher R. , Rosner Inger L. 
Published: July 2017

BACKGROUNDProstate cancer patients diagnosed with low‐ and intermediate‐risk disease have several treatment options. Decisional regret after treatment is a concern, especially when poor oncologic outcomes or declines in health‐related quality of life (HRQoL) occur. This study assessed determinants of longitudinal decisional regret in prostate cancer patients attending a multidisciplinary clinic and treated with radical prostatectomy (RP), external beam radiation therapy (EBRT), brachytherapy (BT), or active surveillance (AS).METHODSPatients newly diagnosed with prostate cancer at the Walter Reed National Military Medical Center who attended a multidisciplinary clinic were enrolled into a prospective study from 2006 to 2014. The Decision Regret Scale was administered at 6, 12, 24, and 36 months posttreatment. HRQoL was also assessed at regular intervals using the Expanded Prostate Cancer Index Composite and 36‐item RAND Medical Outcomes Study Short Form questionnaires. Adjusted probabilities of reporting regret were estimated via multivariable logistic regression fitted with generalized estimating equations.RESULTSA total of 652 patients met the inclusion criteria (395 RP, 141 EBRT, 41 BT, 75 AS). Decisional regret was consistently low after all of these treatments. In multivariable models, only African American race (odds ratio, 1.67; 95% confidence interval, 1.12‐2.47) was associated with greater regret across time. Age and control preference were marginally associated with regret. Regret scores were similar between RP patients who did and did not experience biochemical recurrence. Declines in HRQoL were weakly correlated with greater decisional regret.CONCLUSIONIn the context of a multidisciplinary clinic, decisional regret did not differ significantly between treatment groups but was greater in African Americans and those reporting poorer HRQoL. Cancer 2017;123:4252–4258. © 2017 American Cancer Society.