bluuebunny/crossref_metadata_2025_split huggingface dataset:
Condensed Mode Cooling of Ethylene Polymerization in Fluidized Bed Reactors
Authors: McKenna Timothy F. L. 
Published: October 2018

AbstractThis review gives an overview of the evolution of the technology of condensed mode cooling, primarily for the case of ethylene polymerization on supported catalysts in fluidized bed reactors. It is well known that this mode of heat removal is quite effective in allowing polyolefin manufacturers to increase significantly production rates. What is perhaps less well understood are all of the issues that, in addition to the effect of the latent heat of vaporization of injected liquid components, also have an impact on the rate of production and behavior of the reactor. However, the liquid components injected into the reactor can vaporize rapidly under full‐scale conditions, leaving behind several heavy components (with respect to ethylene) that have numerous effects on how the particles behave, on the reaction rate, and on fluidization, fouling, and other parameters related to reactor and process performance.
True phase quantitative susceptibility mapping using continuous single‐point imaging: a feasibility study
Authors: Jang Hyungseok , Lu Xing , Carl Michael , Searleman Adam C. , Jerban Saeed , Ma Yajun , von Drygalski Annette , Chang Eric Y. , Du Jiang 
Published: October 2018

PurposeIn this study, we explore the feasibility of a new imaging scheme for quantitative susceptibility mapping (QSM): continuous single‐point imaging (CSPI), which uses a pure phase encoding strategy to achieve true phase imaging and improve QSM accuracy.MethodsThe proposed CSPI is a modification of conventional SPI to allow acquisition of multiple echoes in a single scan. Immediately following a phase encoding gradient, the free induction decay is continuously sampled with extremely high temporal resolution to obtain k‐space data at a fixed spatial frequency (i.e., at a fixed k‐space coordinate). By having near‐0 readout duration, CSPI results in a true snapshot of the transverse magnetization at each TE. Additionally, parallel imaging with autocalibration is utilized to reduce scan time, and an optional temporal averaging strategy is presented to improve signal‐to‐noise ratio for objects with low proton density or short T2* decay. The reconstructed CSPI images were input to a QSM framework based on morphology enabled dipole inversion.ResultIn an experiment performed using iron phantoms, susceptibility estimated using CSPI showed high linearity (R2 = 0.9948) with iron concentration. Additionally, reconstructed CSPI phase images showed much reduced ringing artifact compared with phase images obtained using a frequency encoding strategy. In an ex vivo experiment performed using human tibia samples, estimated susceptibilities ranged from –1.6 to –2.1 ppm, in agreement with values reported in the literature (ranging from –1.2 to –2.2 ppm).ConclusionWe have demonstrated the feasibility of using CSPI to obtain true phase images for QSM.
Imaging shallow gas migration pathways in a mud‐volcano province using an autonomous underwater vehicle (Malta Plateau, Mediterranean Sea)
Authors: Savini A. , Pinson S. , Bistacchi A. , Etiope G. , Holland C.W. 
Published: October 2018

ABSTRACTData acquired by an autonomous underwater vehicle (AUV) towing a source (1600–3500 Hz) and a horizontal array of hydrophones have been analysed to image discrete, isolated or even a small cluster of scatterers within the sediment, to determine shallow migration paths of hydrocarbons in a mud volcano system of the Malta Plateau. An algorithm based on a semblance function was applied to the acoustic data to highlight scatterers rather than interface reflections. The resulting scatterer map, obtained along the AUV track, generated a pseudo‐three‐dimensional coverage of the study area, with a horizontal and vertical resolution of roughly 3–5 m and 5–10 m, respectively. This map was combined with high‐resolution bathymetric and backscattering seafloor maps obtained from previous explorations. This integrated dataset provides new evidence for the role of fault zones as a preferential path for gas/fluid migration and reveals the intermittent activity of seeping gas. The data show, in particular, that gas bubble slugs, i.e. discontinuous gas columns, rise through Plio‐Quaternary sediments along a complex system of conduits terminating at the surface into quiescent mud volcanoes. The gas flux is facilitated by the regional stress field that results in dilatant conditions on the mapped fault zones.
OPAL+: Length‐Specific MoRF Prediction in Intrinsically Disordered Protein Sequences
Authors: Sharma Ronesh , Sharma Alok , Raicar Gaurav , Tsunoda Tatsuhiko , Patil Ashwini 
Published: October 2018

AbstractIntrinsically disordered proteins (IDPs) contain long unstructured regions, which play an important role in their function. These intrinsically disordered regions (IDRs) participate in binding events through regions called molecular recognition features (MoRFs). Computational prediction of MoRFs helps identify the potentially functional regions in IDRs. In this study, OPAL+, a novel MoRF predictor, is presented. OPAL+ uses separate models to predict MoRFs of varying lengths along with incorporating the hidden Markov model (HMM) profiles and physicochemical properties of MoRFs and their flanking regions. Together, these features help OPAL+ achieve a marginal performance improvement of 0.4–0.7% over its predecessor for diverse MoRF test sets. This performance improvement comes at the expense of increased run time as a result of the requirement of HMM profiles. OPAL+ is available for download at https://github.com/roneshsharma/OPAL-plus/wiki/OPAL-plus-Download.
Vineyard evaluation of stilbenoid‐rich grape cane extracts against downy mildew: a large‐scale study
Authors: Billet Kévin , Delanoue Guillaume , Arnault Ingrid , Besseau Sébastien , Oudin Audrey , Courdavault Vincent , Marchand Patrice A , Giglioli‐Guivarc'h Nathalie , Guérin Laurence , Lanoue Arnaud 
Published: October 2018

AbstractBACKGROUNDPlasmopara viticola control in organic viticulture requires copper‐based fungicides with harmful effects on health and the environment. Plant extracts represent a biorational eco‐friendly alternative to copper. The aim of this study was to evaluate the potential of stilbenoid‐rich grape cane extract (GCE) against downy mildew on three cultivars over 3 years following natural downy mildew infection.RESULTSOver all field trials, GCE treatments showed an average reduction in disease incidence of −35% and −38% on leaves and clusters, respectively. The average reduction in disease severity was −35% and −43% on leaves and clusters, respectively. Under artificial downy mildew infection, GCE efficacy corresponded to 1 g L−1 of copper. Neither phytotoxicity nor adverse effects on auxiliary fauna were observed after treatment with GCE.CONCLUSIONBecause few or no biocontrol agents are active alone against P. viticola, GCE is a promising alternative to copper‐based fungicides. Grape canes, an abundant by‐product of viticulture, have great potential for valorization as a biocontrol agent for sustainable viticulture. © 2018 Society of Chemical Industry
Invisible apple snail invasions: importance of continued vigilance and rigorous taxonomic assessments
Authors: Yang Qianqian , Liu Suwen , He Chao , Cowie Robert H , Yu Xiaoping , Hayes Kenneth A 
Published: October 2018

AbstractBACKGROUNDDue to the similarities of overall shell morphology among apple snail species and considerable variability within species, substantial taxonomic confusion has plagued the accurate identification of Pomacea species. Many invasive apple snails have been mistakenly identified as P. canaliculata since their introduction to Asia around 1980. In 2008, three other introduced species in addition to P. canaliculata were recognized. In 2013, a fifth, previously unrecognized lineage was reported from China, indicating that despite the taxonomic clarity brought by previous work, continued surveys and taxonomic research are necessary to prevent additional introductions and continued spread, as well as to develop effective management strategies.RESULTSPhylogenetic analysis of mitochondrial COI sequences confirmed the presence of a widespread unidentified Pomacea lineage in China. All sequences from samples of this newly documented lineage were recovered in a monophyletic clade delineated from closely related species; however, different DNA barcoding methods yielded inconsistent species boundaries. Additionally, nuclear EF1α sequences indicated incomplete lineage sorting or recent hybridization of the unidentified lineage with the other two established species.CONCLUSIONBarcoding is a valuable tool for species discovery, and a powerful approach for delineating introduced species. However, determining the identity of the newly discovered invasive lineage in China will require an integrated taxonomic approach incorporating individuals from the native range, and examination of natural history collections at museums around the world. To manage and prevent additional spread of already established species, and to stop the introduction of new taxa, continued monitoring and rigorous taxonomic assessments must be undertaken. © 2018 Society of Chemical Industry
Ligand‐Centered Radical Activity by a Zinc‐Schiff‐Base Complex towards Catechol Oxidation
Authors: Das Subrata , Sahu Amrita , Joshi Mayank , Paul Suvendu , Shit Madhusudan , Roy Choudhury Angshuman , Biswas Bhaskar 
Published: October 2018

AbstractIn this work, we present the synthesis and structural characterization of a new Zn(II)‐Schiff base complex, [Zn(L)(H2O)] (1), [L=N,N′‐bis(3‐methoxysalicylidene)‐1,3‐diamino‐2‐propanol]. Single crystal X‐ray structural analysis reveals that 1 crystallizes in monoclinic system with P21/c space group. The compound shows good photo‐luminescence property in methanol medium. This Zn(II) complex has been evaluated as a catalytic system in the catalytic oxidation of 3,5‐di‐tert‐butylcatechol (DTBC) in methanol. The Zn(II) complex displays good catecholase like activity with significant turn over, kcat(h–1)=7.99×102 in methanol under aerobic condition. Very interestingly, we are able to isolate the oxidation product as 3,5‐di‐tert‐butylquinone (2) in association with the substrate in the form of a single crystal. Electron paramagnetic resonance (EPR), electron spray ionization (ESI) mass and 1H nuclear magnetic resonance (NMR) spectral analyses of the reaction mixture between Zn(II) complex and DTBC recommend that the course of catalysis proceeds through substrate‐catalyst adduct formation & confirm the presence of radical pathways in favour of oxidation products. The computation studies have been executed with density functional theory and all experimental observations are well rationalised with extensive theoretical calculations. Being a redox inactive metal ion, catalytic oxidation of DTBC by Zn(II) complexes will always be a remarkable example in the scientific community.
Birnessite: A New‐Generation and Cost Effective Ion Exchange Material for Separation of Clinical‐Grade 90Y from 90Sr/90Y Mixture
Authors: Chakravarty Rubel , Bevara Samatha , Bahadur Jitendra , Chakraborty Sudipta , Dev Sarma Haladhar , Achary S. Nagabhusan , Dash Ashutosh , Tyagi Avesh Kumar 
Published: October 2018

AbstractThe widespread clinical utilization of 90Y for preparation of target specific radiopharmaceuticals stipulates design of superior advanced materials for facile and cost effective separation of 90Y. We demonstrate for the first time potential of birnessite type phylomanganates for radiochemical separation of clinical grade 90Y from 90Sr/90Y mixture. Sodium birnessite was synthesized by controlled oxidation of MnCl2.4H2O in presence of excess of NaOH and characterized thoroughly for structure, microstructure and purity. Ion exchange experiments in the presence of 90Sr/90Y equilibrium mixture confirmed the exceptionally high selectivity of synthetic sodium birnessite for exchanging Sr2+ ions and the conditions have been optimized to achieve radiochemically pure 90Y (> 80% separation yield) meeting all the pharmaceutical requirements for its clinical use. Radionuclidic purity of 90Y could be achieved to < 1 × 10−4 % of 90Sr which is well below the limit set internationally (2 × 10−3 %). The separated 90Y has been used to prepare 90Y radiolabeled 1,4,7,10‐tetraazacyclododecane‐1,4,7,10‐tetraacetic acid coupled dimeric cyclic RGD peptide derivative [DOTA−E[c(RGDfK)]2] and the biological efficacy of the radiotracer was established in C57/BL6 mice bearing melanoma tumors. The results indicated highly target specific radiotherapy suggesting the potential of sodium birnessite for cost effective radiochemical separation of 90Y.
Exploration of Antifungal Potential of Carbohydrate‐Tethered Triazoles as CYP450 Inhibitors
Authors: Nainwal Lalit M. , Azad Chandra S. , Deswal Deepa , Narula Anudeep K. 
Published: October 2018

AbstractIn search of potent and novel antifungal agents, herein, the authors report the synthesis, chemical characterization and biological evaluation of triazole tethered glycoconjugates. The structural verification of the molecules was carried out by 13C NMR, 1H NMR and mass spectra analysis. The in vitro antifungal activity was investigated against three filamentous fungi, Trichoderma viride 4329, Aspergillus fumigatus 3007 and Sporothrix schenckii. Among the synthesized compounds, it was observed that compound 10f completely inhibited the fungal growth giving a Minimum Inhibitory Concentration (MIC) value of 800 μg/ml against Aspergillus fumigatus 3007. Moreover through microscopic analysis, using Scanning Electron Microscopy and confocal imaging, it was detected that the compound had induced pronounced irreversible membrane damage and disruption of fungal mycelium.
The anti‐inflammatory Design, Synthesis and Exploiting Pharmacological Activities of 2,3‐Dihydrofuranocoumarins as Multi‐Therapeutic Agents
Authors: Madar Jyoti M. , Shastri Lokesh A. , Shastri Samundeeswari L. , Holiyachi Megharaja , Naik Nirmala S. , Shaikh Farzanabi , Kumbar Vijay M. , Bhat Kishor G. , Joshi Shrinivas D. , Sungar Vinay A. 
Published: October 2018

AbstractOur recent research interest regarding synthesis of bioactive furanocoumarin derivatives, we have developed pyridinium yield assisted synthesis of 2,3‐dihydrofuran coumarin derivatives via, multicomponent one step reaction with excellent yield. All compounds 4(a–p) and 6(a–b) were screened for their in vitro antimicrobial, Anti‐inflammatory and cytotoxicity activity. The activity results demonstrated that, synthesized compounds are selective against both Gram positive bacterial strains B.subtilis, S.aureus and inactive against Gram negative bacterial strains E.coli, P.aeruginosa. Similarly, compounds are highly potent against both fungal strains C.albicans and C.tropicalis over standard drugs Fuconazole. The anti‐inflammatory activity was examined using egg albumin protein denaturation and Human red blood cell membrane stabilization methods; in both methods anti‐inflammatory results are highly promising. Compounds 4 a, 4 b, 4 d and 4 o exhibited potential cytotoxic activity against lung cancer cell lines with IC50 value ranging from 0.29 to 0.35 μM. Identifying the active antimicrobial and anti‐inflammatory agent is as essential factor for the successful development of lead molecules in drug designing. Molecular docking study was performed for all the compounds and docking result reveals that compounds are possessing drug like property.
One‐Pot Synthesis and Photophysical Studies of Dihydropyrimidinone‐Based Dyes: Novel Violet‐Blue Light Emitting Fluorophores
Authors: Matta Akanksha , Gupta Mohit , Kumar Yogesh , Taniike Toshiaki , Van der Eycken Johan , Singh Brajendra K. 
Published: October 2018

AbstractA one‐pot, four‐component methodology have been developed for the synthesis of coumarin‐linked triazolyl‐dihydropyrimidinones (DHPM). The Biginelli reaction was combined with the click reaction for the first time in a sequential multicomponent tandem reaction approach. A series of ten such compounds have been synthesised and examined for their fluorescent properties. These were found to emit violet‐blue light in the visible region of the spectrum with very high Stoke's shift values. The compounds have demonstrated high quantum yields which makes them attractive targets for their utilization as new fluorescent probes. The electronic structure of these coumarin‐based donor–π–acceptor (D–π–A)‐type organic dyes have been studied by Density Functional Theory (DFT). Thermal analysis of few of the compounds show that they are stable up to temperature range of 0–290 °C. The synthesised compounds have been characterised by NMR and mass spectrometry.
Synthesis and Study of Palladium(II) and Platinum(II) Complexes Supported by a Common “Wingtip” N‐Heterocyclic Carbene
Authors: Dinda Joydev , Jhulki Lalmohan , Kisan Hemanta K. , Mahapatra Pradip K. , Isab Anvarhusein A. , Bielawski Christopher W. 
Published: October 2018

AbstractTwo annulated imidazolium salts, 2‐(phenyl)imidazo[1,5‐a]pyridin‐4‐ylium hexafluorophosphate 1⋅H(PF6) and 1‐methyl‐2‐(phenyl)imidazo[1,5‐a]pyridin‐4‐ylium hexafluorophosphate 2⋅H(PF6), were synthesized via formylative cyclization of the corresponding Schiff bases followed by anion metathesis with KPF6. Independently treating 1⋅H(PF6) or 2⋅H(PF6) with silver oxide and then palladium chloride in acetonitrile led to the formation of the complexes [Pd(1)2Cl(CH3CN)]PF6 (1 a) and [Pd(2)2Cl(CH3CN)]PF6 (2 a), respectively. Likewise, [Pt(1)2Cl(CH3CN)]PF6 (1 b) and [Pt(2)2Cl(CH3CN)]PF6 (2 b) were synthesized using similar transmetallation chemistry. The complexes were characterized using various spectroscopic techniques and the solid state structures of 1‐H(PF6) as well as 2 a were elucidated using X‐ray diffraction analyses. A series of DFT calculations were also performed to gain further insight into the respective structures of the complexes. Complexes 1 a and 2 a were found to facilitate Suzuki coupling reactions under relatively mild conditions.
Selective Synthesis of Mono‐ and Disubstituted Quinoxalines via Heteroaromatic Nucleophilic Substitution of 2,3‐Dichloro‐6,7‐dinitroquinoxaline (DCDNQX) with Anilines and Phenols
Authors: de O. Lima Filho Edson , da S. Ribeiro Stephany L. , Araújo Renata M. , Menezes Fabrício G. , Cavalcanti Lívia N. 
Published: October 2018

AbstractThe chemistry of quinoxalines has attracted great attention due to the potential applications of this class of nitrogen‐based heterocycle in many areas. In this paper, heteroaromatic nucleophilic substitution of the quinoxaline substrate 2,3‐dichloro‐6,7‐dinitroquinoxaline (DCDNQX) with anilines and phenols is reported. Reactions using this reagent were proven to proceed under mild and metal‐free conditions for selectively obtaining mono and disubstituted products in good to excellent yields.
Nitroalkane‐Mediated Multicomponent Synthesis of β‐Enaminones
Authors: Manjappa Kiran B. , Yang Ya‐An , Mysore Santosh S. , Yang Ding‐Yah 
Published: October 2018

AbstractA multicomponent synthesis of β‐enaminones is explored using nitroalkane as a reagent and a solvent. The one‐pot reaction of 1,3‐diketone, aldehyde, and amine using nitromethane as the solvent resulted β‐enaminones exclusively. When the same reaction was performed in nitroethane, however, lactone ring‐opening of coumarin moiety was observed, leading to the formation of hydroxy‐β‐enaminones. The possible mechanisms for these reactions are deduced and the substrate scope of the reaction is investigated.
Regioselective Chlorination of Quinoline Derivatives via Fluorine Mediation in a Microfluidic Reactor
Authors: Qi Hao , Li Xin , Liu Zhuang , Miao Shan‐Shan , Fang Zheng , Chen Lin , Fang Zheng , Guo Kai 
Published: October 2018

AbstractA novel green and efficient reaction route for the synthesis of 2‐chloroquinoline via N‐fluoride fluorinated by 1‐Chloromethyl‐4‐fluoro‐1,4‐diazoniabicyclo [2.2.2] octane bis(tetrafluoroborate) (Selectfluor) with 1,3‐Dichloro‐5,5‐dimethylhydantoin (DCDMH) in Vapourtec reactor has been developed. In addition, a series of C2 heterocyclic derivative products are obtained in moderate to good yields under no metal conditions.
Scalable 3D Nanoparticle Trap for Electron Microscopy Analysis
Authors: Sun Xingwu , Berenschot Erwin J. W. , Veltkamp Henk‐Willem , Gardeniers Han J. G. E. , Tas Niels R. 
Published: October 2018

AbstractArrays of nanoscale pyramidal cages embedded in a silicon nitride membrane are fabricated with an order of magnitude miniaturization in the size of the cages compared to previous work. This becomes possible by combining the previously published wafer‐scale corner lithography process with displacement Talbot lithography, including an additional resist etching step that allows the creation of masking dots with a size down to 50 nm, using a conventional 365 nm UV source. The resulting pyramidal cages have different entrance and exit openings, which allows trapping of nanoparticles within a predefined size range. The cages are arranged in a well‐defined array, which guarantees traceability of individual particles during post‐trapping analysis. Gold nanoparticles with a size of 25, 150, and 200 nm are used to demonstrate the trapping capability of the fabricated devices. The traceability of individual particles is demonstrated by transferring the transmission electron microscopy (TEM) transparent devices between scanning electron microscopy and TEM instruments and relocating a desired collection of particles.
Conformal boundary conditions, loop gravity and the continuum
Authors: Wieland Wolfgang 
Published: October 2018

AbstractIn this paper, we will make an attempt to clarify the relation between three-dimensional euclidean loop quantum gravity with vanishing cosmological constant and quantum field theory in the continuum. We will argue, in particular, that in three spacetime dimensions the discrete spectra for the geometric boundary observables that we find in loop quantum gravity can be understood from the quantisation of a conformal boundary field theory in the continuum without ever introducing spin networks or triangulations of space. At a technical level, the starting point is the Hamiltonian formalism for general relativity in regions with boundaries at finite distance. At these finite boundaries, we choose specific conformal boundary conditions (the boundary is a minimal surface) that are derived from a boundary field theory for an SU(2) boundary spinor, which is minimally coupled to the spin connection in the bulk. The resulting boundary equations of motion define a conformal field theory with vanishing central charge. We will quantise this boundary field theory and show that the length of a one-dimensional cross section of the boundary has a discrete spectrum. In addition, we will introduce a new class of coherent states, study the quasi-local observables that generate the quasi-local Virasoro algebra and discuss some strategies to evaluate the partition function of the theory.
God's propositional omniscience: a defence of the strictly restricted account
Authors: ZAREPOUR MOHAMMAD SALEH 
Published: October 2018

AbstractBy discussing three different understandings of the notion of God's propositional omniscience from a theistic point of view, I show that the strictly restricted account (SPO) – according to which God knows all true propositions that He can know – is preferable to the two other candidates as the standard interpretation of God's propositional omniscience. To establish this conclusion, I argue that Pruss's argument that strictly restricted omniscience (SPO) entails full omniscience (FPO) fails because it relies on a flawed construal of the former thesis. I propose an alternative construal for strictly restricted omniscience and defend it against some potential objections.