bluuebunny/crossref_metadata_2025_split huggingface dataset:
Triphenylamine‐Based Bis‐ and Tris‐ESIPT Compounds and Their Boron Complexes: Synthesis, Photophysical Properties and DFT Study of ICT and ESIPT Emissions
Authors: Kothavale Shantaram , Erande Yogesh , Sekar Nagaiyan 
Published: June 2017

AbstractTriphenylamine based bis and tris methoxy and hydroxyl aldehydes, their benzothiazole derivatives and boron complexes were synthesized. Bathochromically shifted keto tautomer emissions were observed for bis and tris hydroxyl aldehyde derivatives in non‐polar solvents such as heptane and toluene while other excited state intramolecular proton transfer (ESIPT) derivatives show only enol emission, where ESIPT effect get suppressed under the increased intramolecular charge transfer (ICT) effect. After boron complexation of ESIPT cores, red shifted emissions with increased quantum yield were reported, implying that the ESIPT compounds are exhibiting only enol emissions and not any keto emissions. We optimized all the derivatives using time dependent density functional theory (TD‐DFT) method and compared their computationally derived photophysical parameters with the experimentally observed ones. Variable twist in the dihedral angle of these compounds in their excited state optimized geometries supported their experimentally observed ICT or ESIPT behaviour.
Fabrication of High Energy Li–Ion Capacitors from Orange Peel Derived Porous Carbon
Authors: Maharjan Makhan , Ulaganathan Mani , Aravindan Vanchiappan , Sreejith Sivaramapanicker , Yan Qingyu , Madhavi Srinivasan , Wang Jing‐Yuan , Lim Tuti Mariana 
Published: June 2017

AbstractActivated carbon (AC) with high surface area (1,901 m2 g−1) is synthesized from bio‐waste orange (Citrus sinensis) peel for fabrication of high specific energy lithium ion capacitors (LICs). The composition, structure and electrochemical properties of orange peel derived AC (OP‐AC) are characterized by elemental analyzer, field emission‐scanning electron microscopy, X‐ray diffraction, Raman spectroscopy, X‐ray photoelectron spectroscopy, cyclic voltammogram, charge‐discharge and impedance studies. Fabricated LIC using the high surface area OP‐AC with pre‐lithiated graphite (LiC6) delivered specific energy of ∼106 Wh kg−1. In addition, LIC configuration with Li4Ti5O12 was also fabricated and observed to be capable of delivering the specific energy of ∼35 Wh kg−1. Symmetric configuration of OP‐AC with aqueous and organic solutions was also made for comparison purpose. A systematic improvement from the specific energy of ∼7 to 106 Wh kg−1 is noted from aqueous to LIC assembly. The findings open up the possibility of developing high specific energy LICs from abundant, low‐cost, sustainable biomass waste.
PEG‐400 Mediated an Efficient Green Synthesis of Isoxazolyl Indole‐3‐Carboxylic Acid Esters via Nentizescu Condensation Reaction and Their Anti‐Inflammatory and Analgesic Activity
Authors: Dharavath Nagaraju , Eligeti Rajanarendar , Reddy Y N , Pittala Praveen Kumar , Modugu Nagi Reddy 
Published: June 2017

AbstractPolyethylene glycol‐400 (PEG‐400) has been discovered as an efficient and eco‐friendly reaction medium for the synthesis of new isoxazolyl indole‐3‐carboxylic acid esters 11 from 4‐amino‐3‐methyl‐5‐styrylisoxazoles 7. Compounds 7 on treatment with β‐keto ester 8 afforded the corresponding isoxazolylamino‐2‐butenoates 9 at ambient temperature in PEG‐400. The Nentizescu condensation of compounds 9 with 1,4‐benzoquinone 10 to give the title compounds isoxazolyl indole‐3‐craboxylic acid esters 11 under PEG‐400. Structures of compounds 9 and 11 were established on the basis of IR, 1H NMR, 13C NMR and HRMS analysis. All the final compounds 11 a–s were evaluated for their anti‐inflammatory and analgesic activities. Among the compounds tested, the compounds 11 b, 11 g, 11 n, 11 o, 11 p and 11 s exhibited significant anti‐inflammatory and potent analgesic activities as that of standard drugs. The advantages of this protocol are: operational simplicity, environmental safety, broad substrate scope, excellent functional group tolerance, and good yields. The PEG‐400 can be recovered and reused.
A Facile and Efficient Synthesis of Oxindole Scaffolds through Linear Regioselective Reductive Coupling between Vinyl Sulfones and Isatins/Isatinimines
Authors: Ramakrishna K. , Arupula Sanjeeva K. , Gudimella Santosh K. , Raju V. , Nanubollu Jagadeesh B. , Meshram Harshadas M. 
Published: June 2017

AbstractZn/CeCl3.7H2O mediated facile and an efficient synthesis of oxindoles motifs via linear regioselective reductive coupling between isatin/isatinimine derivatives and vinyl sulfones at room temperature has been described. This synthetic protocol is base free and allow for the synthesis of wide variety of oxindole motifs in moderate to high yields. This is the first example of Mannich‐type coupling between isatinimines and vinyl sulfones.
Reactivity of 4‐Pyridyltellurolate with Pd(II)/Pt(II) Complexes
Authors: Dey Sandip , Vivekananda Kotipalli V. , Wadawale Amey P. , Jain Vimal K. , Bhuvanesh Nattamai 
Published: June 2017

AbstractReactions of 4‐pyridyltellurolate with various palladium and platinum complexes have been investigated. Treatment of MCl2(dppe) and two equivalents of Na(4‐TeC5H4N) gavecis‐[M(4‐TeC5H4N)2(dppe)] (M=Pd (1), Pt (2)). Similar reactions of MCl2(dppm) exclusively yielded unexpected products, [Pd2(μ3‐Te)(μ2‐4‐TeC5H4N)(4‐TeC5H4N)(μ‐dppm)]2(M=Pd (3)) and [Pt{(Ph2P)2C(4‐TeC5H4N)}2] (M=Pt (4)). Thecisandtransforms of [PdCl(4‐TeC5H4N)(PPh3)]2(6 a, 6 b) could be isolated from the reaction of polymeric complex [PdCl2(4,4′‐(C5H4N)2Te2)]n(5) and PPh3. All the phosphine complexes have been characterized by NMR and X‐ray crystallography. Complex3contains bridging dppm ligand whereas4is formed via deprotonation of methylene carbon of dppm ligand.
Novel Acid Catalysts from Waste‐Tire‐Derived Carbon: Application in Waste–to‐Biofuel Conversion
Authors: Hood Zachary D. , Adhikari Shiba P. , Li Yunchao , Naskar Amit K. , Figueroa‐Cosme Legna , Xia Younan , Chi Miaofang , Wright Marcus W. , Lachgar Abdou , Paranthaman M. Parans 
Published: June 2017

AbstractMany inexpensive biofuel feedstocks, including those containing free fatty acids (FFAs) in high concentrations, are typically disposed of as waste due to our inability to efficiently convert them into usable biofuels. Here we demonstrate that carbon derived from waste tires could be functionalized with sulfonic acid (‐SO3H) to effectively catalyze the esterification of oleic acid or a mixture of fatty acids to usable biofuels. Waste tires were converted to hard carbon, then functionalized with catalytically active ‐SO3H groups on the surface through an environmentally benign process that involved the sequential treatment with L‐cysteine, dithiothreitol, and H2O2. When benchmarked against the same waste‐tire derived carbon material treated with concentrated sulfuric acid at 150 °C, similar catalytic activity was observed. Both catalysts could also effectively convert oleic acid or a mixture of fatty acids and soybean oil to usable biofuels at 65 °C and 1 atm without leaching of the catalytic sites.
Monoamide Derivatives of EDTA Incorporating Pendent Carboxylates or Pyridyls: Synthesis, Metal Binding, and Crystal Structure of a Dinuclear Ca2+ Complex Featuring Bridging Na+ Ions
Authors: Mulla Raminder S. , Pitarch‐Jarque Javier , García‐España Enrique , Desa Tanya , Lurie‐Luke Elena , Williams J. A. Gareth 
Published: June 2017

AbstractEDTA is a powerful, cheap and widely‐used chelating unit for a large range of metal ions. To link it covalently to other molecules, the formation of an amide bond using one of the carboxylates is an attractive and simple approach, even though it may compromise metal ion binding as one of the four carboxylate donors is lost. Here we undertake a quantitative study of the metal ion binding of two new mono‐amide derivatives of EDTA, namely AmGly1 and AmPy1, featuring an additional coordinating carboxylate or pyridyl group in the amide, respectively. The compounds are conveniently synthesised through alkylation of the tris‐t‐butyl ester of ethylenediamine‐triacetic acid with the appropriate α‐chloroamide. The switch from carboxylate to amide is found to impact Fe3+ binding the most amongst the metal ions examined (Mg2+, Ca2+, Mn2+, Fe3+, Zn2+), with a drop in log K(ML) of around 10 units in aqueous solution. The affinities for the other metals are less severely affected. Nevertheless, at the physiologically relevant pH of 7.4, their ability to bind Fe3+ is only reduced by around 6 log units when pFe3+ is considered (where [L]:[Fe3+] = 10:1). AmGly1 forms a dinuclear Ca2+ complex which has been characterised crystallographically. It is a C2‐symmetric 2:2 complex featuring a dicapped octahedral coordination geometry around Ca2+. In the crystal, the Ca2(AmGly1)2 units are linked via hydrated Na+ ions coordinated by a number of the oxygen atoms, including the pendent carboxylate.
Bipyridine Facilitates Regioselective Dimerization of Alkynes in the Absence of Transition Metal
Authors: Midya Ganesh Chandra , Parasar Bibudha , Maiti Subhadip , Dash Jyotirmayee 
Published: June 2017

AbstractWe herein present a transition metal free protocol for the dimerization of terminal aryl alkynes to prepare enyne derivatives using potassium tert‐butoxide in the presence of catalytic amount of 2,2′‐bipyridine. The reaction is compatible with a wide range of substrates resulting in high to moderate yields of the corresponding head‐to‐head dimers with E‐selectivity.
Catalytic hydroprocessing of lignin β-O-4 ether bond model compound phenethyl phenyl ether over ruthenium catalysts
Authors: Gomez-Monedero B. , Faria J. , Bimbela F. , Ruiz M. P. 
Published: June 2017

AbstractThe catalytic hydroprocessing of phenethyl phenyl ether (PPE), a model compound of one of the most significant ether linkages within lignin structure, β-O-4, has been studied. Reactions were carried out using two ruthenium-based catalysts, supported on different materials: 3.8 wt.% Ru/C and 3.9 wt.% Ru/Al2O3. Aiming at studying the reaction mechanism, experiments were carried out at 150 °C and 25 bar in H2 atmosphere, with varying feed to catalyst mass ratios and reaction time. Differences between the relative importance of the steps of the mechanism were observed when using those two catalysts. The most significant finding was the predominance of the cleavage of Cβ-O bonds compared to the cleavage of the Caryl-O when using Ru/Al2O3 as catalyst; whereas with Ru/C, the two routes were nearly equivalent. It has been observed that the kinetic model describes the general tendencies of consumption and formation of the different products, but some over/under estimation of concentrations occurs. Finally, the effect of temperature was also explored by carrying out reactions at 100 and 125 °C, observing that decreasing temperature from 150 to 125 or 100 °C favored the dimer hydrogenation route versus the hydrogenolysis of the ether bonds.
Assessment of Self‐Determination in Adolescents with Neonatal Brachial Plexus Palsy
Authors: Bergman Donna , Rasmussen Lynnette , Chang Kate Wan‐Chu , Yang Lynda J‐S. , Nelson Virginia S. 
Published: June 2017

AbstractBackgroundThe term self‐determination refers to decision‐making, goal setting, and perseverance to achieve those goals. Numerous studies have established the importance of self‐determination to enhance learning and improve postschool outcomes. However, most studies evaluate students with learning disabilities, cognitive impairment, or behavioral disabilities. There is an absence of research on self‐determination for adolescents with physical disabilities.ObjectiveTo assess self‐determination of adolescents with neonatal brachial plexus palsy (NBPP) compared with their typically developing peers via self‐reported measures of function.DesignCase‐control study.SettingBrachial plexus clinic.ParticipantsTwenty adolescents with NBPP (aged 10‐17 years) and their parents and 20 age/gender‐matched typically developing adolescents and their parents were recruited. Non–English‐speaking participants and those with other physical impairments were excluded from study.MethodsParticipants completed demographic and American Institutes for Research (AIR) self‐determination surveys. One of two designated occupational therapists evaluated participant physical function.Main Outcome MeasurementsA demographic survey and AIR self‐determination assessment were administered, and active range of motion measurements in shoulder forward flexion, elbow flexion, elbow extension, forearm pronation, and supination were obtained. Grip/pinch strength, MRC muscle strength, 9‐Hole Peg Test, and Mallet scale scores also were evaluated.ResultsDespite physical differences, adolescents with NBPP presented similar self‐determination levels as their typically developing peers. Adolescents with NBPP rated their opportunities to engage in self‐determined behaviors at school significantly lower than at home. Both adolescents with NBPP and those in the control group rated their opportunities to engage in self‐determined behaviors at school significantly lower than at home.ConclusionsAdolescents with NBPP presented similar self‐determination scores as their age/gender‐matched typically developing peers. These results could be a reflection of our program's patient‐ and family‐centered care approach. Therefore, caregivers and providers should encourage personal development and fulfillment in adolescents with NBPP. Teachers and schools should be aware that opportunities for acquiring self‐determination skills might be more limited at school than at home in this age group.Level of EvidenceIII
OSA treatment history in an upper airway stimulation trial cohort
Authors: Soose Ryan J. , Padhya Tapan A. , Gillespie M. Boyd , Froymovich Oleg , Lin Ho‐sheng , Woodson B. Tucker ,   STAR Trial Investigators
Published: June 2017

ObjectivesAnalyze the obstructive sleep apnea (OSA) treatment history in a group of participants who enrolled in a hypoglossal nerve stimulation trial.MethodsModerate‐severe OSA patients with difficulty adhering to CPAP presented for enrollment in a multicenter trial. Self‐reported history on prior OSA medical therapy was collected at enrollment, including OSA diagnosis date, CPAP start and stop dates, oral appliance trial, and reasons for discontinuation or non‐adherence.ResultsThe cohort consisted of 929 participants, 83% male, with a mean age (53.9 ± 10.5) years. Ninety percent (n = 835) had complete CPAP information including 47% (n = 435) who discontinued therapy prior to enrollment and 43% (n = 400) who were still attempting CPAP but had inadequate adherence. Abandonment rates were 60% at 1‐year, 73% at 3‐years, and 86% at 5‐years. Oral appliance therapy was attempted by 171 patients for mean (1.8 ± 2.3) years, with 81% abandonment at 1 year, 89% at 3‐years, and 94% at 5‐years.ConclusionsIn this CPAP‐refractory cohort, high rates of CPAP abandonment were reported in the first several years with approximately half of the participants not receiving any treatment despite being diagnosed for >5 years. Close clinical follow‐up and consideration of alternative treatment options is indicated in all OSA patients in order to ensure adequate longitudinal care.
Online aircraft velocity and normal acceleration planning for rough terrain following
Authors: Kazemifar Omid , Babaei Ali-Reza , Mortazavi Mahdi 
Published: June 2017

ABSTRACTThis paper attempts to develop an efficient online algorithm for terrain following in completely unknown rough terrain environments while incorporating aircraft dynamics in the guidance strategy. Unlike most existing works, the proposed algorithm does not generate the flight path directly. The algorithm employs acquired information from the vehicle onboard sensors and rapidly issues appropriate Guidance Commands (GCs) at every point along the way. A suitable dynamic model is developed which takes the lags in the vehicle dynamics into account. The flight path forms gradually as a result of applying the GCs to the vehicle dynamics. Terrain-conforming capability afforded by this approach allows for autonomous and safe low-level flight in unknown mountainous areas. It considerably enhances the autonomy level of the vehicle and in the case of manned aircraft could significantly lead to pilot workload reduction. The proposed scheme is proven to be promising for online applications.
A multi-parameter criterion for layer formation in a stratified shear flow using sorted buoyancy coordinates
Authors: Taylor J. R. , Zhou Q. 
Published: June 2017

Here, we examine the conditions for layer formation in a stratified shear flow. We reformulate the conditions for amplification of small perturbations to a uniform stratification first proposed by Phillips (Deep Sea Research and Oceanographic Abstracts, vol. 19, 1972, pp. 79–81, Elsevier) and Posmentier (J. Phys. Oceanogr., vol. 7 (2), 1977, pp. 298–300) using the sorted buoyancy coordinates introduced by Nakamura (J. Atmos. Sci., vol. 53 (11), 1996, pp. 1524–1537) and Winters & D’Asaro (J. Fluid Mech., vol. 317, 1996, pp. 179–193). We consider the possible dependence of the effective diffusivity on three non-dimensional parameters, the gradient Richardson number, the buoyancy Reynolds number and the Prandtl number, and obtain a simple expression for conditions favourable for layer formation. The new framework is applied to direct numerical simulations of stratified shear flow. We then apply a recent multi-parameter parameterization developed by Salehipour et al. (Geophys. Res. Lett., vol. 43 (7), 2016, pp. 3370–3379), which suggests that layer formation is favoured for large Prandtl numbers and moderate to large values of the gradient Richardson and buoyancy Reynolds numbers.
Crotoxin stimulates anM1activation profile in murine macrophages duringLeishmania amazonensisinfection
Authors: FARIAS L. H. S. , RODRIGUES A. P. D. , COÊLHO E. C. , SANTOS M. F. , SAMPAIO S. C. , SILVA E. O. 
Published: June 2017

SUMMARYAmerican tegumentary leishmaniasis is caused by different species ofLeishmania.This protozoan employs several mechanisms to subvert the microbicidal activity of macrophages and, given the limited efficacy of current therapies, the development of alternative treatments is essential. Animal venoms are known to exhibit a variety of pharmacological activities, including antiparasitic effects. Crotoxin (CTX) is the main component ofCrotalus durissus terrificusvenom, and it has several biological effects. Nevertheless, there is no report of CTX activity during macrophage –Leishmaniainteractions. Thus, the main objective of this study was to evaluate whether CTX has a role in macrophageM1polarization duringLeishmaniainfection murine macrophages,Leishmania amazonensispromastigotes andL. amazonensis-infected macrophages were challenged with CTX. MTT [3-(4,5dimethylthiazol-2-yl)-2,5-diphenyl tetrasodium bromide] toxicity assays were performed on murine macrophages, and no damage was observed in these cells. Promastigotes, however, were affected by treatment with CTX (IC50= 22·86µg mL−1) as were intracellular amastigotes. Macrophages treated with CTX also demonstrated increased reactive oxygen species production. After they were infected withLeishmania, macrophages exhibited an increase in nitric oxide production that converged into anM1activation profile, as suggested by their elevated production of the cytokines interleukin-6 and tumour necrosis factor-α and changes in their morphology. CTX was able to reverse theL. amazonensis-mediated inhibition of macrophage immune responses and is capable of polarizing macrophages to theM1profile, which is associated with a better prognosis for cutaneous leishmaniasis treatment.
Solving the challenge of the blood–brain barrier to treat infections caused by Trypanosoma evansi: evaluation of nerolidol-loaded nanospheres in mice
Authors: BALDISSERA MATHEUS D. , SOUZA CARINE F. , BOLIGON ALINE A. , GRANDO THIRSSA H. , DE SÁ MARIÂNGELA F. , DA SILVA ALEKSANDRO S. , STEFANI LENITA M. , BALDISSEROTTO BERNARDO , MONTEIRO SILVIA G. 
Published: June 2017

SUMMARYDespite significant advances in therapies against Trypanosoma evansi, its effective elimination from the central nervous system (CNS) remains a difficult task. The incapacity of trypanocidal drugs to cross the blood–brain barrier (BBB) after systemic administrations makes the brain the main refuge area for T. evansi. Nanotechnology is showing great potential to improve drug efficacy, such as nerolidol-loaded nanospheres (N-NS). Thus, the aim of this study was to investigate whether the treatment with N-NS was able to cross the BBB and to eliminate T. evansi from the CNS. High-performance liquid chromatography revealed that N-NS can cross the BBB of T. evansi-infected mice, while free nerolidol (F-N) neither the trypanocidal drug diminazene aceturate (D.A.) were not detected in the brain tissue. Polymerase chain reaction revealed that 100% of the animals treated with N-NS were negatives for T. evansi in the brain tissue, while all infected animals treated with F-N or D.A. were positives. Thus, we concluded that nanotechnology improves the therapeutic efficacy of nerolidol, and enables the transport of its active principle through the BBB. In summary, N-NS treatment can eliminate the parasite from the CNS, and possesses potential to treat infected animals.
Measles elimination and immunisation: national surveillance trends in Japan, 2008–2015
Authors: INAIDA S. , MATSUNO S. , KOBUNE F. 
Published: June 2017

SUMMARYMeasles elimination relies on vaccination programmes. In Japan, a major outbreak started in 2007. In response, 5-year two-dose catch-up vaccination programme was initiated in April 2008 for children 13–16-years-old. In this study, we analysed the epidemic curves, incidence rates for each age group, virus genotype, vaccination coverage and ratio of measles gelatin particle agglutination (PA) antibody using surveillance data for 2008–2015.Monthly case counts markedly decreased as vaccination coverage increased. D5, which is the endemic virus type, disappeared after 2011, with the following epidemic caused by imported viruses. Most cases were confirmed to have a no-dose or single-dose vaccination status. Although the incidence rate among all age groups ⩾5-years-old decreased during the study period, for children <5-years-old, the incidence rate remained relatively high and increased in 2014. The ratio of PA antibody (⩾1:128 titres) increased for the majority of age groups, but with a decrease for specific age groups: the 0–5 months and the 2–4, 14, 19 and most of the 26–55- and the 60-year-old groups (−1 to −9%). This seems to be the result of higher vaccination coverage, which would result in decreasing natural immunity booster along with decreasing passive immunity in infants whose mothers did not have the natural immunity booster. The 20–29- and 30–39-year-old age groups had higher number of cases, suggesting that vaccination within these age groups might be important for eliminating imported viruses.