bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Construction of Oxadiazepines via Lewis Acid‐Catalyzed Tandem 1,5‐Hydride Shift/Cyclization.
Authors: Chang Yong‐Zhi , Li Ming‐Lei , Zhao Wen‐Feng , Wen Xiaoan , Sun Hongbin , Xu Qing‐Long 
Published: February 2016

AbstractLewis acid‐promoted reactions of pyrrolidine‐ or tetrahydroisoquinoline‐containing nitrones afford oxadiazepines in good yields.
ChemInform Abstract: A Convenient N‐Arylation Route for Electron‐Deficient Pyridines: The Case of π‐Extended Electrochromic Phosphaviologens.
Authors: Reus Christian , Stolar Monika , Vanderkley Jeffrey , Nebauer Johannes , Baumgartner Thomas 
Published: February 2016

AbstractPhosphaviologens are prepared in one step by N‐arylation with diaryliodonium salts under elevated temperatures.
ChemInform Abstract: Enantioselective Reductive Multicomponent Coupling Reactions Between Isatins and Aldehydes.
Authors: Horwitz Matthew A. , Tanaka Naoya , Yokosaka Takuya , Uraguchi Daisuke , Johnson Jeffrey S. , Ooi Takashi 
Published: February 2016

AbstractA new highly stereoselective and metal‐free multicomponent coupling reaction between isatins and aldehydes with dialkyl phosphite as an economical reductant is reported.
ChemInform Abstract: An Efficient Transformation of Furano‐Hydroxychalcones to Furanoflavones via Base Mediated Intramolecular Tandem O‐Arylation and C—O Bond Cleavage: A New Approach for the Synthesis of Furanoflavones.
Authors: Sharma Rajni , Vishwakarma Ram A. , Bharate Sandip B. 
Published: February 2016

AbstractA new approach for the synthesis of the natural furanoflavones lanceolatin B (IIa) and pongaglabrone (IIb) from corresponding furano‐hydroxychalcones (I) under mild, metal‐free conditions is given.
ChemInform Abstract: State of the Art of Biodiesel Production Processes: A Review of the Heterogeneous Catalyst
Authors: Ruhul A. M. , Kalam M. A. , Masjuki H. H. , Fattah I. M. Rizwanul , Reham S. S. , Rashed M. M. 
Published: February 2016

AbstractReview: 183 refs.
ChemInform Abstract: Effective Parameters on Selective Catalytic Hydrodeoxygenation of Phenolic Compounds of Pyrolysis Bio‐Oil to High‐Value Hydrocarbons
Authors: Shafaghat Hoda , Rezaei Pouya Sirous , Ashri Wan Daud Wan Mohd 
Published: February 2016

AbstractReview: 180 refs.
Chiral separation on various modified amino alcohol‐derived HPLC chiral stationary phases
Authors: Yu Jeongjae , Lee Jung Mi , Ryoo Jae Jeong 
Published: February 2016

Abstract3,5‐Dinitrobenzoyl chloride was previously used for the preparation of (R)‐phenylglycinol‐ and (S)‐leucinol‐derived chiral stationary phases. In this study, 3,5‐bis(trifluoromethyl)benzoyl chloride, 2‐furoyl chloride, 2‐theonyl chloride, 10,11‐dihydro‐5H‐dibenzo[b,f]azepine‐5‐carbonyl chloride, diphenylcarbamoyl chloride, and 1‐adamantanecarbonyl chloride were used to prepare six new phenylglycinol‐derived chiral stationary phases (CSPs) and five new leucinol‐derived CSPs. Using these 11 CSPs, chiral separation of nine π‐acidic amino acid derivatives and five π‐basic compounds was performed, and the separation results were compared. An adamantyl‐derived CSP showed good separation. Chirality 28:276–281, 2016. © 2016 Wiley Periodicals, Inc.
Current Experimental Methods for Characterizing Protein–Protein Interactions
Authors: Zhou Mi , Li Qing , Wang Renxiao 
Published: February 2016

AbstractProtein molecules often interact with other partner protein molecules in order to execute their vital functions in living organisms. Characterization of protein–protein interactions thus plays a central role in understanding the molecular mechanism of relevant protein molecules, elucidating the cellular processes and pathways relevant to health or disease for drug discovery, and charting large‐scale interaction networks in systems biology research. A whole spectrum of methods, based on biophysical, biochemical, or genetic principles, have been developed to detect the time, space, and functional relevance of protein–protein interactions at various degrees of affinity and specificity. This article presents an overview of these experimental methods, outlining the principles, strengths and limitations, and recent developments of each type of method.
Randomized trial of a physical activity intervention in women with metastatic breast cancer
Authors: Ligibel Jennifer A. , Giobbie‐Hurder Anita , Shockro Laura , Campbell Nancy , Partridge Ann H. , Tolaney Sara M. , Lin Nancy U. , Winer Eric P. 
Published: February 2016

BACKGROUNDExercise interventions improve fitness, functional capacity, and quality of life in patients with early‐stage breast cancer, but to the authors' knowledge there are few data regarding the feasibility or potential benefits of exercise in women with metastatic breast cancer.METHODSIndividuals with metastatic breast cancer were randomized 1:1 to a 16‐week moderate‐intensity exercise intervention or wait‐list control group. Intervention goals included 150 minutes of moderate‐intensity aerobic exercise per week. The baseline and 16‐week evaluations included a modified Bruce Ramp treadmill test, 7‐day Physical Activity Recall interview, and European Organization for Research and Treatment of Cancer Quality of Life Questionnaire Core 30 (EORTC QLQ C‐30) questionnaire.RESULTSA total of 101 participants were randomized (48 to the intervention group and 53 to the control group). The median age of the participants was 49 years, the median time since the diagnosis of metastatic breast cancer was 1.1 years, and approximately 42% of participants were undergoing chemotherapy at the time of enrollment. Study attrition was higher in the intervention arm (14 participants vs 8 participants; P = .15). Women randomized to the exercise intervention experienced a nonsignificant increase with regard to minutes of weekly exercise (62.4 minutes vs 46.0 minutes; P = .17) and physical functioning (EORTC QLQ C30: 4.79 vs 0.93 [P = .23] and Bruce Ramp Treadmill test: 0.61 minutes vs 0.37 minutes [P = .35]) compared with control participants.CONCLUSIONSParticipation in an exercise intervention did not appear to result in significant improvements in physical functioning in a heterogeneous group of women living with advanced breast cancer. Given the significant benefits of exercise in women with early‐stage breast cancer, more work is needed to explore alternative interventions to determine whether exercise could help women with metastatic disease live more fully with fewer symptoms from disease and treatment. Cancer 2016;122:1169–77. © 2016 American Cancer Society.
Dynamical Dimension to the Hofmeister Series: Insights from First‐Principles Simulations
Authors: Bekçioğlu‐Neff Gül , Allolio Christoph , Desmukh Yogesh S. , Hansen Michael Ryan , Sebastiani Daniel 
Published: February 2016

AbstractA systematic characterization of the competing kosmotropic and chaotropic effects of a series of divalent salts on the aqueous H‐bonding structure by means of first‐principles molecular dynamics simulations is presented. The structural properties are quantified by means of experimental and computed 1H NMR chemical shifts, whereby the local environments of cations and anions can be discriminated. Complementary to the well‐established structural features, a dynamical aspect is added to the concept of kosmotropes and chaotropes. The H‐bond dynamics, quantified in terms of the H‐bonding autocorrelation functions, shows a good correlation with the structural kosmotropic and chaotropic modifications, which are commonly referred to as the Hofmeister series. The considerably enhanced (reduced) fluctuations of the H‐bonding network in the hydration shells around the anions (cations) are a complementary dynamical dimension to the concept of kosmotropic/chaotropic behavior of solvated ions.
Using Time‐Dependent Density Functional Theory to Probe the Nature of Donor–Acceptor Stenhouse Adduct Photochromes
Authors: Laurent Adèle D. , Medveď Miroslav , Jacquemin Denis 
Published: February 2016

AbstractWe present the first theoretical investigation of a recently proposed class of photochromes, namely donor–acceptor Stenhouse adduct (DASA) switches [J. Am. Chem. Soc. 2014, 136, 8169–8172]. By using density functional theory and its time‐dependent counterpart, we investigate the ground‐ and excited‐state structures, electronic transition energies, and several properties of the two isomeric forms. In addition to demonstrating that the selected level of theory is able to reproduce the main experimental facts, we show that 1) the two forms of the DASA photochromes are close to isoenergetic; 2) the two isomers possess similar total dipole moments, in spite of their very different sizes; 3) both isomers have a zwitterionic nature; 4) the nature of the dipole‐allowed electronic excited state is vastly different in the two forms; and 5) the specific band shape of the extended DASA can be reproduced by vibronic calculations.
Investigation of the Hydrogenation of 5‐Methylfurfural by Noble Metal Nanoparticles in a Microcapillary Reactor
Authors: Gmeiner Julia , Seibicke Max , Behrens Silke , Spliethoff Bernd , Trapp Oliver 
Published: February 2016

AbstractOn‐column reaction gas chromatography (ocRGC) was successfully utilized as high‐throughput platform for monitoring of the conversion and selectivity of hydrogenation of 5‐methylfurfural catalyzed by polymer‐stabilized Ru and Pd nanoparticles. We were able to elucidate the effect of various reaction conditions, mainly together with the catalyst loading on the conversion rate and the selectivity of the reaction. Our strategy yields significant improvements in reaction analysis times and cost effectiveness in comparison to standard methods. We are able to demonstrate that ocRGC approach provides valuable information about the reaction system that gives scientists a tool to design suitable catalytic systems for enhanced sustainable chemistry in the future.
Research Progress on the Indirect Hydrogenation of Carbon Dioxide to Methanol
Authors: Du Xian‐Long , Jiang Zheng , Su Dang Sheng , Wang Jian‐Qiang 
Published: February 2016

AbstractInvited for this month′s cover are the groups of Jian‐Qiang Wang at the Shanghai Institute of Applied Physics (SINAP), Chinese Academy of Sciences, and Dang Sheng Su at the Institute of Metal Research (IMR), Chinese Academy of Sciences. The image shows the indirect conversion of carbon dioxide to methanol through hydrogenation of the easily available CO2 derivatives. The Minireview itself is available at 10.1002/cssc.201501013.
Analysis and realization of a switched fractional‐order‐capacitor integrator
Authors: Psychalinos Costas , Elwakil Ahmed , Maundy Brent , Allagui Anis 
Published: February 2016

SummaryUsing fractional calculus, we analyze a classical switched‐capacitor integrator when a fractional‐order capacitor is employed in the feed‐forward path. We show that using of a fractional‐order capacitor, significantly large time constants can be realized with capacitances in the feedback path much smaller in value when compared with a conventional switched‐capacitor integrator. Simulations and experimental results using a commercial super‐capacitor with fractional‐order characteristics confirmed via impedance spectroscopy are provided. Copyright © 2016 John Wiley & Sons, Ltd.
Use of evidence‐based therapy and survival in heart failure in Sweden 2003–2012
Authors: Thorvaldsen Tonje , Benson Lina , Dahlström Ulf , Edner Magnus , Lund Lars H. 
Published: February 2016

AimsIn heart failure with reduced ejection fraction, drug and device therapy improve survival. We studied contemporary trends in utilization of evidence‐based therapy and associated survival.Methods and resultsWe studied 5908 patients with NYHA class II–IV heart failure, EF <30%, and duration of heart failure ≥6 months registered in the Swedish Heart Failure Registry between 2003 and 2012. Regression using generalized estimation equations was used to examine temporal trends in crude and risk‐adjusted rates of utilization of evidence‐based heart failure therapy and 30‐day, 1‐year, and 3‐year survival. In 2003 vs. 2012, the risk‐adjusted use of therapy and P‐values for trends were as follows: renin–angiotensin system antagonists, 88% vs. 86% (P = 0.091); beta‐blockers, 85% vs. 93% (P = 0.008); mineralocorticoid receptor antagonists, 53% vs. 42% (P < 0.001); CRT, 2.4% vs. 8.2% (P = 0.074); and implantable cardioverter‐defibrillators, 4.0% vs. 10.7% (P = 0.004). During the same period, the risk‐adjusted 30‐day, 1‐year, and 3‐year survival was 92% vs. 94% (P = 0.532), 81% vs. 77% (P = 0.260), and 58% vs. 54% (P = 0.425), respectively.ConclusionsIn this large nationwide registry, over the last decade the use of evidence‐based drug therapy was high and remained stable over time, but, despite an increased use of device therapy, the absolute use was poor. This was associated with an absence of improvement in survival. The improvements in therapy and prognosis over the last generation may be levelling off, and efforts should be directed at improving implementation of evidence‐based therapy.
Copper(II)‐Catalyzed Synthesis of ­Indoloquinoxalin‐6‐ones through Oxidative Mannich Reaction
Authors: Gogoi Anupal , Sau Prasenjit , Ali Wajid , Guin Srimanta , Patel Bhisma K. 
Published: February 2016

AbstractA Cu‐catalyzed synthesis of indoloquinoxalin‐6‐one has been developed that starts from o‐indolyl‐N,N‐dialkylamines through sp3 C–H bond oxidation α to the nitrogen atom with di‐tert‐butyl peroxide as oxidant. Other heterocycles, such as pyrrole, imidazole and benzimidazole derivatives also reacted successfully to give their respective fused quinoxalin‐6‐one derivatives. In this process, one of the methyl groups is transformed into a carbonyl group.
Access to Imidazole Derivatives by Silver(I) Carbonate Mediated Coupling of Vinyl Azides with Secondary Amines
Authors: Adiyala Praveen Reddy , Borra Satheesh , Kamal Ahmed , Maurya Ram Awatar 
Published: February 2016

AbstractAn efficient protocol for the synthesis of structurally diverse imidazoles by Ag2CO3‐mediated coupling of vinyl azides with secondary amines was developed, and 22 different examples were synthesized in good to high yields. This operationally simple synthetic strategy allows the formation of three new C–N bonds by cascade reactions that involve sp3 C–H functionalization.
Differential contribution of orexin receptors within the ventral tegmental area to modulation of persistent inflammatory pain
Authors: Ezzatpanah S. , Babapour V. , Haghparast A. 
Published: February 2016

AbstractBackgroundOrexinergic neurons in the lateral hypothalamus (LH) play an important role in pain modulation. In addition, ventral tegmental area (VTA) is known as a part of descending pain modulatory circuitry. Little is known about the interaction between the LH and neural substrates involving in modulation of formalin‐induced nociception. Accordingly, we aimed to examine the pain modulatory role of VTA orexin receptors in the formalin test.MethodsSeventy‐eight male Wistar rats were unilaterally implanted with two cannulae above the LH and VTA. Intra‐VTA administration of SB‐334867 (orexin‐1 receptor antagonist) or TCS OX2 29 (orexin‐2 receptor antagonist) was performed 5 min before intra‐LH microinjection of carbachol (a cholinergic receptor agonist). The procedure was followed by subcutaneous injection of formalin after 5‐min interval time.ResultsCarbachol attenuated formalin‐induced biphasic pain responses and SB‐334867 or TCS OX2 29 administration dose‐dependently antagonized the LH‐induced analgesia during both phases. Blockade of orexin‐1 and ‐2 receptors had more profound effects on the reduction of antinociception during the late phase compared to the early phase. Also, contribution of orexin‐1 receptors in mediation of LH‐induced analgesia was greater than orexin‐2 receptors during the late phase.ConclusionFormalin test, a model of persistent inflammatory pain, mimics the conditions encountered in clinical situations. Pain modulatory role of orexinergic system in the formalin test through a neural pathway from the LH to the VTA provides the evidence that orexins can be useful therapeutic targets for chronic pain treatment.What does this study add?There is a pathway from the lateral hypothalamus (LH) to the ventral tegmental area (VTA) which modulates biphasic formalin‐induced pain.Blockade of VTA orexin receptors dose‐dependently reduces LH‐induced analgesia during both phases.Anti‐analgesic effect of orexin receptor antagonists is more considerable during the late phase.Contribution of orexin‐1 receptors to mediation of LH‐induced analgesia is more than orexin‐2 receptors during the late phase.
Rapid and Sensitive Determination of Dinotefuran Residue Based on Electrochemical Enhancement of β‐cyclodextrin‐Graphene Composite
Authors: Zhang M. , Zhai X. C. , Yang X. , Zhao H. T. , Dong A. J. , Zhang H. , Wang J. , Liu G. Y. 
Published: February 2016

AbstractA rapid method for sensitive voltammetric determination of dinotefuran residue was reported. The proposed method was based on the electrocatalytic reduction of dinotefuran on β‐cyclodextrin‐graphene composite modified glassy carbon electrode (β‐CD‐rGO/GCE), giving rise to a higher reduction signal to dinotefuran relative to the bare (GCE) and graphene modified electrode (rGO/GCE). Moreover, a further signal enhancement was observed when the modified electrode incubated in solution at low temperature (0 °C) for a short time. The reduction mechanism and binding affinity were also discussed. The external standard calibration curve was obtained from linear sweep voltammetry in the range of 0.5 to 16.0 μM with a detection limit of 0.10 μM. In addition to optimization of pretreatment, this electrochemical method has been applied to the dinotefuran residue determination in millet samples with the detection limit of 0.01 mg kg−1 and compared with an high performance liquid chromatography method. The proposed electrode and analysis methods were proven to be sensitive, accurate and rapid under the used conditions.
Organic Acid and DNA Sensing with Electrochemical Sensor Based on Carbon Black and Pillar[5]arene
Authors: Smolko Vladimir , Shurpik Dmitry , Evtugyn Vladimir , Stoikov Ivan , Evtugyn Gennady 
Published: February 2016

AbstractElectrochemical sensor has been proposed on the base of glassy carbon electrode (GCE) modified with carbon black (CB) and pillar[5]arene (P[5]A). The characteristics of the peak currents were found to be sensitive to the incubation of the sensor in organic acid and DNA solution. The detection of n×(10−8–10−5) M of organic acid and down to (1–5)×10−18 g of DNA was attributed to the effect of the analytes on the aggregation and relative stability of oxidized and reduced forms of P[5]A. No signal interference with the alkali and alkali‐earth metal ions was found. The electrochemical sensor was tested in the detection of specific DNA interactions, i.e. reactive oxygen species damage and intercalating pharmaceuticals detection.
Independent Components Analysis of the Overlapping Voltammetric Signals
Authors: Górski Łukasz , Kubiak Władysław W. , Jakubowska Małgorzata 
Published: February 2016

AbstractThis paper introduces the Independent Components Analysis (ICA) to voltammetry and extends possibility of the qualitative and quantitative analysis of binary mixtures of similar oxidation/reduction potentials. It was demonstrated that even in the case of distance between peaks potentials equal to 10 mV, determinations may be realized according to typical validation criteria. The methodology was presented using the simulated data and capabilities and limitations of the method were described. Further, the usefulness of ICA was presented for voltammograms registered during simultaneous determination of copper and antimony, and thallium and indium. The results of high practical importance for chemical analysis were achieved and documented. In the quantitative analysis a property was extensively used, that ICA is an unsupervised method.
An Exfoliated Graphite Based Electrochemical Sensor for As(III) in Water
Authors: Mafa J. P. , Mabuba N. , Arotiba O. A. 
Published: February 2016

AbstractIn this work, we present the application of an exfoliated graphite electrode modified with gold nanoparticles (AuNPs) for the detection of As(III) in acidic media. Gold nanoparticles were deposited on the surface of an exfoliated graphite electrode by electrodeposition at a potential window of −0.2 V to 1.2 V. This was followed by activation in 0.5 M H2SO4 with 10 cycles from 0.6 V to 1.4 V. The modification of exfoliated graphite (EG) showed an increased electroactive surface area of the electrode and improved peak current output in a Fe(CN)63−/4− redox probe. EG‐AuNPs electrode was used to detect As(III) in 1.0 M HNO3 using square wave anodic stripping voltammetry (SWASV) technique at optimum conditions of pH 3, deposition potential of −0.8 V, deposition time of 180 s, frequency of 5 Hz and pulse amplitude of 50 mV. The EG‐AuNPs electrode detected As(III) in solution to a limit of 0.58 ppb with regression of 0.9993. The method reported is simple, cheap and possesses good reproducibility. The developed electrochemical sensor was applied in the detection of As (III) in an industrial real water sample. The results of the real water sample analysis from the developed method are comparable with the inductively coupled plasma – optical emission spectroscopy (ICP‐OES) results.
The effects of river restoration on catchment scale flood risk and flood hydrology
Authors: Dixon Simon J. , Sear David A. , Odoni Nicholas A. , Sykes Tim , Lane Stuart N. 
Published: February 2016

AbstractA rising exposure to flood risk is a predicted consequence of increased development in vulnerable areas and an increase in the frequency of extreme weather events due to climate change. In the face of this challenge, a continued reliance on engineered at‐a‐point flood defences is seen as both unrealistic and undesirable. The contribution of ‘soft engineering’ solutions (e.g. riparian forests, wood in rivers) to integrated, catchment scale flood risk management has been demonstrated at small scales but not larger ones. In this study we use reduced complexity hydrological modelling to analyse the effects of land use and channel changes resulting from river restoration upon flood flows at the catchment scale. Results show short sections of river‐floodplain restoration using engineered logjams, typical of many current restoration schemes, have highly variable impacts on catchment‐scale flood peak magnitude and so need to be used with caution as a flood management solution. Forested floodplains have a more general impact upon flood hydrology, with areas in the middle and upper catchment tending to show reductions in peak magnitude at the catchment outflow. The most promising restoration scenarios for flood risk management are for riparian forest restoration at the sub‐catchment scale, representing 20–40% of the total catchment area, where reductions in peak magnitude of up to 19% are observed through de‐synchronization of the timings of sub‐catchment flood waves. Sub‐catchment floodplain forest restoration over 10–15% of total catchment area can lead to reductions in peak magnitude of 6% at 25 years post‐restoration. Copyright © 2016 John Wiley & Sons, Ltd.
New Alkaloids from Hippeastrum papilio (Ravenna) Van Scheepen
Authors: Guo Ying , de Andrade Jean P. , Pigni Natalia B. , Torras‐Claveria Laura , Tallini Luciana R. , de S. Borges Warley , Viladomat Francesc , Nair Jerald J. , Zuanazzi José A. S. , Bastida Jaume 
Published: February 2016

AbstractA new phytochemical study of the indigenous Brazilian species Hippeastrum papilio is reported herein. Three novel Amaryllidaceae alkaloids were isolated, including hippapiline (1), papiline (2), and 3‐O‐demethyl‐3‐O‐(3‐hydroxybutanoyl)haemanthamine (3). Their structures were determined by physical and spectroscopic methods. In addition, the known alkaloids, haemanthamine (4), galanthamine (5), narwedine (6), 11β‐hydroxygalanthamine (7), apogalanthamine (8), and 9‐O‐demethyllycosinine B (9) were identified. The unusual cis‐B/C‐ring fusion for the new homolycorine representative hippapiline was ratified by NMR and CD spectroscopy.