bluuebunny/crossref_metadata_2025_split huggingface dataset:
HxZr3‐xPW12O40 as an Insoluble and Reusable Heteropolyacid for Highly Selective Dehydration of Fructose to 5‐Hydroxymethyl Fufural in DMSO System
Authors: Mulik Nagesh L. , Niphadkar Prashant S. , Pandhare Kiran V. , Bokade Vijay V. 
Published: January 2018

AbstractDehydration of fructose is a way to produce an important platform chemical such as 5‐hydroxymethylfurfural (HMF) which is widely used to synthesize variety of renewable chemicals and fuel. Heteropoly acid, H3PW12O40 is highly soluble strong acidic catalyst with well‐defined structure. This study reports the modification of soluble heteropoly acid to insoluble and reusable heteropolyacid (HxZr3‐xPW12O40 ) by exchanging with Zr and investigation of its catalytic performance in selective transformation of renewable fructose to 5‐HMF in Dimethyl sulfoxide (DMSO) system. The physico‐chemical properties of HxZr3‐xPW12O40were derived from Powder‐XRD, NH3‐TPAD and FT‐IR technique. The characterization of HxZr3‐xPW12O40 revealed that the Keggin structure of HPA remained intact as proton replaced by Zr. The partial exchange of Zr in H2Zr1PW12O40 catalyst resulted in an increase in acidity, however further increase of Zr above 1, acidity was found to be decreased. At optimized reaction condition, 5‐HMF yield of 85% with 100% selectivity was achieved with H1Zr2 PW12O40 catalyst at much lower reaction time of 10 min than reported. The catalyst was observed to be recoverable, reusable as compared to parent H3PW12O40.
Remarkable Improvement in Water Oxidation Catalysis by Moderate Heat Treatment of a Crystalline Silver‐Based Thin Film Developed In‐Situ From Silver‐ions in Acetate Solution
Authors: Majumder Samit , Haleem Ashraf Abdel , Nagaraju Perumandla , Naruta Yoshinori 
Published: January 2018

AbstractWater oxidation is an important half‐reaction to achieve overall water splitting. Therefore, the development of efficient electrocatalysts for water oxidation is an avenue to improve the competence of fuel generation technology. In this study, a crystalline silver‐based film (AgxO), electrodeposited in‐situ on FTO electrodes from a sodium acetate solution containing silver ions at pH ∼6, shows a remarkable improvement in the water oxidation catalysis after heat treatment at moderate temperature (100 °C). The morphology, nature and composition of the thin films were fully characterized by scanning electron microscopy, atomic force microscopy, powder X‐ray diffraction, X‐ray photoelectron and energy dispersive X‐ray spectroscopies. The electrode, annealed at 100 °C, generates a sustain current density ∼2.25 mA•cm–2 for at least 12 h, which is almost two order of magnitude larger than the as‐deposited electrode in a sodium borate buffer solution of pH 9.2.
Catalyst Free Selective Monobenzoylation of Diols with Benzoyl Cyanide: A Robust and Regioselective Strategy
Authors: Waseem Malik Abdul , Lone Ali Mohd , Teli Bisma , Bhat Bilal A. 
Published: January 2018

AbstractA general and robust strategy for regio‐ and chemoselective benzoylation of diols and polyols was developed under catalyst‐free reaction conditions. This approach is highly flexible in generating a diverse range of 1,2‐, 1,3‐, and 1,4‐monobenzoylated‐adducts in excellent yields without the involvement of expensive catalysts. Collectively, these results have implications in reducing the burden of cost and toxicity associated with the catalysts used in earlier methods.
Strategic Design and Utilization of Molecular Flexibility for Straddling the Application of Organic Superbases: A DFT Study
Authors: Singh Ajeet , Ojha Animesh K. , Jang Hyun Myung 
Published: January 2018

AbstractThe density functional theory (DFT) calculations were performed for a series of new molecular frameworks that have potential to work as organic superbases. In the present report, we have exploited and strategically substituted 2 and 6 positions of the pyridine by a potential anchoring group, 1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene (TBD). The value of proton affinities (PAs) of the molecular frameworks was calculated in the gas phase as well as in acetonitrile solution. The designed non‐ionic and neutral organic superbases were found to have higher basicity than that of the benchmarked molecule, 1,8‐bis(dimethylamino)‐naphthalene (DMAN). The zero‐point vibrational energy (ZPVE) and PAs values were calculated for the designed molecular frameworks at B3LYP/6‐311+G**//B3LYP/6‐31+G* level of theory. For compression, we have also performed the optimization of all the structures at M06‐2X/6‐311 +G**//M06‐2X/6‐31+G* level of theory. The molecular framework 9 has highest PAs values 1151.2 and 1246.3 kJ mol−1 in the gas phase and in acetonitrile solution, respectively at B3LYP/6‐311+G**//B3LYP/6‐31+G* level of theory. The designed molecular frameworks have better flexibility, which enables it for selective extraction of the smaller to larger size molecules by varying the size of the cavity, as required for the various applications. In this context, we have explored the application of designed molecular frameworks for the selective extraction of UO22+ over VO2+.
Strategies for Stabilizing Atomically Dispersed Metal Catalysts
Authors: Qin Ruixuan , Liu Pengxin , Fu Gang , Zheng Nanfeng 
Published: January 2018

AbstractAtomically dispersing metal atoms on supports provides an ideal strategy for maximizing metal utilization for catalysis, which is particularly important for fabricating cost‐effective catalysts based on Earth‐scarce metals. However, due to the high surface energy and thus instability of single atoms, it remains challenging to fabricate stable atomically dispersed metal catalysts. Here, strategies for stabilizing atomically dispersed metal catalysts on various supports are summarized. Based on strategies to enhance the interaction between the metal and the support to prevent the sintering of metal atoms, several approaches to stabilize supported atomically dispersed metal catalysts are then extensively discussed. To close, the importance of the interface species surrounding single atoms in determining the catalytic properties of atomically dispersed metal catalysts is discussed, together with a summary of the prospects for the development of the field.
Veno‐Venous Extracorporeal Membrane Oxygenation (VV ECMO) for Acute Respiratory Failure Following Injury: Outcomes in a High‐Volume Adult Trauma Center with a Dedicated Unit for VV ECMO
Authors: Menaker Jay , Tesoriero Ronald B. , Tabatabai Ali , Rabinowitz Ronald P. , Cornachione Christopher , Lonergan Terence , Dolly Katelyn , Rector Raymond , O’Connor James V. , Stein Deborah M. , Scalea Thomas M. 
Published: January 2018

AbstractIntroductionThe use of veno‐venous extracorporeal membrane oxygenation (VV ECMO) has increased over the past decade. The purpose of this study was to evaluate outcomes in adult trauma patients requiring VV ECMO.MethodsData were collected on adult trauma patients admitted between January 1, 2015, and November 1, 2016. Demographics, injury‐specific data, ECMO data, and survival to discharge were recorded. Medians [interquartile range (IQR)] were reported. A p value ≤0.05 was considered statistically significant.ResultsEighteen patients required VV ECMO during the study period. Median age was 28.5 years (IQR 24–43). Median injury severity score (ISS) was 27 (IQR 21–41); median PaO2/FiO2 (P/F) prior to ECMO cannulation was 61 (IQR 50–70). Median time from injury to cannulation was 3 (IQR 0–6) days. Median duration of ECMO was 266 (IQR 177–379) hours. Survival to discharge was 78%. Survivors had a significantly higher ISS (p = 0.03), longer intensive care unit length of stay (ICU LOS) (p < 0.0004), hospital LOS (p < 0.000004), and time on the ventilator (p < 0.0003). Median time of injury to cannulation was significantly longer in patients who survived to discharge (p = 0.01). There was no difference in P/F ratio prior to cannulation (p = ns).ConclusionWe have demonstrated improved outcome of patients requiring VV ECMO following injury compared to historical data. Although shorter time from injury to cannulation for VV ECMO was associated with death, select patients who meet criteria for VV ECMO early following injury should be referred/transferred to a tertiary care facility that specializes in trauma and ECMO care.
Long-acting injectable atovaquone nanomedicines for malaria prophylaxis
Authors: Bakshi Rahul P. , Tatham Lee M. , Savage Alison C. , Tripathi Abhai K. , Mlambo Godfree , Ippolito Matthew M. , Nenortas Elizabeth , Rannard Steve P. , Owen Andrew , Shapiro Theresa A. 
Published: January 2018

AbstractChemoprophylaxis is currently the best available prevention from malaria, but its efficacy is compromised by non-adherence to medication. Here we develop a long-acting injectable formulation of atovaquone solid drug nanoparticles that confers long-lived prophylaxis againstPlasmodium bergheiANKA malaria in C57BL/6 mice. Protection is obtained at plasma concentrations above 200 ng ml-1and is causal, attributable to drug activity against liver stage parasites. Parasites that appear after subtherapeutic doses remain atovaquone-sensitive. Pharmacokinetic–pharmacodynamic analysis indicates protection can translate to humans at clinically achievable and safe drug concentrations, potentially offering protection for at least 1 month after a single administration. These findings support the use of long-acting injectable formulations as a new approach for malaria prophylaxis in travellers and for malaria control in the field.
Southern Ocean warming and Wilkes Land ice sheet retreat during the mid-Miocene
Authors: Sangiorgi Francesca , Bijl Peter K. , Passchier Sandra , Salzmann Ulrich , Schouten Stefan , McKay Robert , Cody Rosemary D. , Pross Jörg , van de Flierdt Tina , Bohaty Steven M. , Levy Richard , Williams Trevor , Escutia Carlota , Brinkhuis Henk 
Published: January 2018

AbstractObservations and model experiments highlight the importance of ocean heat in forcing ice sheet retreat during the present and geological past, but past ocean temperature data are virtually missing in ice sheet proximal locations. Here we document paleoceanographic conditions and the (in)stability of the Wilkes Land subglacial basin (East Antarctica) during the mid-Miocene (~17–13.4 million years ago) by studying sediment cores from offshore Adélie Coast. Inland retreat of the ice sheet, temperate vegetation, and warm oligotrophic waters characterise the mid-Miocene Climatic Optimum (MCO; 17–14.8 Ma). After the MCO, expansion of a marine-based ice sheet occurs, but remains sensitive to melting upon episodic warm water incursions. Our results suggest that the mid-Miocene latitudinal temperature gradient across the Southern Ocean never resembled that of the present day. We demonstrate that a strong coupling of oceanic climate and Antarctic continental conditions existed and that the East Antarctic subglacial basins were highly sensitive to ocean warming.
Engineering the vibrational coherence of vision into a synthetic molecular device
Authors: Gueye Moussa , Manathunga Madushanka , Agathangelou Damianos , Orozco Yoelvis , Paolino Marco , Fusi Stefania , Haacke Stefan , Olivucci Massimo , Léonard Jérémie 
Published: January 2018

AbstractThe light-induced double-bond isomerization of the visual pigment rhodopsin operates a molecular-level optomechanical energy transduction, which triggers a crucial protein structure change. In fact, rhodopsin isomerization occurs according to a unique, ultrafast mechanism that preserves mode-specific vibrational coherence all the way from the reactant excited state to the primary photoproduct ground state. The engineering of such an energy-funnelling function in synthetic compounds would pave the way towards biomimetic molecular machines capable of achieving optimum light-to-mechanical energy conversion. Here we use resonance and off-resonance vibrational coherence spectroscopy to demonstrate that a rhodopsin-like isomerization operates in a biomimetic molecular switch in solution. Furthermore, by using quantum chemical simulations, we show why the observed coherent nuclear motion critically depends on minor chemical modifications capable to induce specific geometric and electronic effects. This finding provides a strategy for engineering vibrationally coherent motions in other synthetic systems.
Quasi-continuous transition from a Fermi liquid to a spin liquid in κ-(ET)2Cu2(CN)3
Authors: Furukawa Tetsuya , Kobashi Kazuhiko , Kurosaki Yosuke , Miyagawa Kazuya , Kanoda Kazushi 
Published: January 2018

AbstractThe Mott metal-insulator transition—a manifestation of Coulomb interactions among electrons—is known as a discontinuous transition. Recent theoretical studies, however, suggest that the transition is continuous if the Mott insulator carries a spin liquid with a spinon Fermi surface. Here, we demonstrate the case of a quasi-continuous Mott transition from a Fermi liquid to a spin liquid in an organic triangular-lattice system κ-(ET)2Cu2(CN)3. Transport experiments performed under fine pressure tuning have found that as the Mott transition is approached, the Fermi liquid coherence temperature continuously falls to the scale of kelvins, with a divergent quasi-particle decay rate on the metal side, and the charge gap continuously closes on the insulator side. A Clausius-Clapeyron analysis provides thermodynamic evidence for the extremely weak first-order nature of the transition. These results provide additional support for the existence of a spinon Fermi surface, which becomes an electron Fermi surface when charges are delocalized.
Pharmacogenetic stimulation of neuronal activity increases myelination in an axon-specific manner
Authors: Mitew Stanislaw , Gobius Ilan , Fenlon Laura R. , McDougall Stuart J. , Hawkes David , Xing Yao Lulu , Bujalka Helena , Gundlach Andrew L. , Richards Linda J. , Kilpatrick Trevor J. , Merson Tobias D. , Emery Ben 
Published: January 2018

AbstractMounting evidence suggests that neuronal activity influences myelination, potentially allowing for experience-driven modulation of neural circuitry. The degree to which neuronal activity is capable of regulating myelination at the individual axon level is unclear. Here we demonstrate that stimulation of somatosensory axons in the mouse brain increases proliferation and differentiation of oligodendrocyte progenitor cells (OPCs) within the underlying white matter. Stimulated axons display an increased probability of being myelinated compared to neighboring non-stimulated axons, in addition to being ensheathed with thicker myelin. Conversely, attenuating neuronal firing reduces axonal myelination in a selective activity-dependent manner. Our findings reveal that the process of selecting axons for myelination is strongly influenced by the relative activity of individual axons within a population. These observed cellular changes are consistent with the emerging concept that adaptive myelination is a key mechanism for the fine-tuning of neuronal circuitry in the mammalian CNS.
Heuristic and optimal policy computations in the human brain during sequential decision-making
Authors: Korn Christoph W. , Bach Dominik R. 
Published: January 2018

AbstractOptimal decisions across extended time horizons require value calculations over multiple probabilistic future states. Humans may circumvent such complex computations by resorting to easy-to-compute heuristics that approximate optimal solutions. To probe the potential interplay between heuristic and optimal computations, we develop a novel sequential decision-making task, framed as virtual foraging in which participants have to avoid virtual starvation. Rewards depend only on final outcomes over five-trial blocks, necessitating planning over five sequential decisions and probabilistic outcomes. Here, we report model comparisons demonstrating that participants primarily rely on the best available heuristic but also use the normatively optimal policy. FMRI signals in medial prefrontal cortex (MPFC) relate to heuristic and optimal policies and associated choice uncertainties. Crucially, reaction times and dorsal MPFC activity scale with discrepancies between heuristic and optimal policies. Thus, sequential decision-making in humans may emerge from integration between heuristic and optimal policies, implemented by controllers in MPFC.
Stress-dependent miR-980 regulation of Rbfox1/A2bp1 promotes ribonucleoprotein granule formation and cell survival
Authors: Kucherenko Mariya M. , Shcherbata Halyna R. 
Published: January 2018

AbstractUpon stress, profound post-transcriptional adjustments of gene expression occur in spatially restricted, subcellular, membraneless compartments, or ribonucleoprotein (RNP) granules, which are formed by liquid phase separation of RNA-binding proteins with low complexity sequence domains (LCDs). Here, we show that Rbfox1 is an LCD-containing protein that aggregates into liquid droplets and amyloid-like fibers and promiscuously joins different nuclear and cytoplasmic RNP granules. Using Drosophila oogenesis as an in vivo system for stress response, we demonstrate a mechanism by which Rbfox1 promotes cell survival. The stress-dependent miRNA miR-980 acts to buffer Rbfox1 levels, since it targets only those Rbfox1 transcripts that contain extended 3′UTRs. Reduced miR-980 expression during stress leads to increased Rbfox1 levels, widespread formation of various RNP granules, and increased cell viability. We show that human RBFOX proteins also contain multiple LCDs and form membraneless compartments, suggesting that the RNP granule-linked control of cellular adaptive responses may contribute to a wide range of RBFOX-associated pathologies in humans.
Simple and cost-effective method of highly conductive and elastic carbon nanotube/polydimethylsiloxane composite for wearable electronics
Authors: Kim Jeong Hun , Hwang Ji-Young , Hwang Ha Ryeon , Kim Han Seop , Lee Joong Hoon , Seo Jae-Won , Shin Ueon Sang , Lee Sang-Hoon 
Published: January 2018

AbstractThe development of various flexible and stretchable materials has attracted interest for promising applications in biomedical engineering and electronics industries. This interest in wearable electronics, stretchable circuits, and flexible displays has created a demand for stable, easily manufactured, and cheap materials. However, the construction of flexible and elastic electronics, on which commercial electronic components can be mounted through simple and cost-effective processing, remains challenging. We have developed a nanocomposite of carbon nanotubes (CNTs) and polydimethylsiloxane (PDMS) elastomer. To achieve uniform distributions of CNTs within the polymer, an optimized dispersion process was developed using isopropyl alcohol (IPA) and methyl-terminated PDMS in combination with ultrasonication. After vaporizing the IPA, various shapes and sizes can be easily created with the nanocomposite, depending on the mold. The material provides high flexibility, elasticity, and electrical conductivity without requiring a sandwich structure. It is also biocompatible and mechanically stable, as demonstrated by cytotoxicity assays and cyclic strain tests (over 10,000 times). We demonstrate the potential for the healthcare field through strain sensor, flexible electric circuits, and biopotential measurements such as EEG, ECG, and EMG. This simple and cost-effective fabrication method for CNT/PDMS composites provides a promising process and material for various applications of wearable electronics.
Evolutionary analyses of myosin genes in trypanosomatids show a history of expansion, secondary losses and neofunctionalization
Authors: de Souza Denise Andréa Silva , Pavoni Daniela Parada , Krieger Marco Aurélio , Ludwig Adriana 
Published: January 2018

AbstractMyosins are motor proteins that comprise a large and diversified family important for a broad range of functions. Two myosin classes, I and XIII, were previously assigned in Trypanosomatids, based mainly on the studies of Trypanosoma cruzi, T. brucei and Leishmania major, and important human pathogenic species; seven orphan myosins were identified in T. cruzi. Our results show that the great variety of T. cruzi myosins is also present in some closely related species and in Bodo saltans, a member of an early divergent branch of Kinetoplastida. Therefore, these myosins should no longer be considered “orphans”. We proposed the classification of a kinetoplastid-specific myosin group into a new class, XXXVI. Moreover, our phylogenetic data suggest that a great repertoire of myosin genes was present in the last common ancestor of trypanosomatids and B. saltans, mainly resulting from several gene duplications. These genes have since been predominantly maintained in synteny in some species, and secondary losses explain the current distribution. We also found two interesting genes that were clearly derived from myosin genes, demonstrating that possible redundant or useless genes, instead of simply being lost, can serve as raw material for the evolution of new genes and functions.
Mice use robust and common strategies to discriminate natural scenes
Authors: Yu Yiyi , Hira Riichiro , Stirman Jeffrey N. , Yu Waylin , Smith Ikuko T. , Smith Spencer L. 
Published: January 2018

AbstractMice use vision to navigate and avoid predators in natural environments. However, their visual systems are compact compared to other mammals, and it is unclear how well mice can discriminate ethologically relevant scenes. Here, we examined natural scene discrimination in mice using an automated touch-screen system. We estimated the discrimination difficulty using the computational metric structural similarity (SSIM), and constructed psychometric curves. However, the performance of each mouse was better predicted by the mean performance of other mice than SSIM. This high inter-mouse agreement indicates that mice use common and robust strategies to discriminate natural scenes. We tested several other image metrics to find an alternative to SSIM for predicting discrimination performance. We found that a simple, primary visual cortex (V1)-inspired model predicted mouse performance with fidelity approaching the inter-mouse agreement. The model involved convolving the images with Gabor filters, and its performance varied with the orientation of the Gabor filter. This orientation dependence was driven by the stimuli, rather than an innate biological feature. Together, these results indicate that mice are adept at discriminating natural scenes, and their performance is well predicted by simple models of V1 processing.
Role of helical edge modes in the chiral quantum anomalous Hall state
Authors: Mani Arjun , Benjamin Colin 
Published: January 2018

AbstractAlthough indications are that a single chiral quantum anomalous Hall(QAH) edge mode might have been experimentally detected. There have been very many recent experiments which conjecture that a chiral QAH edge mode always materializes along with a pair of quasi-helical quantum spin Hall (QSH) edge modes. In this work we deal with a substantial ‘What If?’ question- in case the QSH edge modes, from which these QAH edge modes evolve, are not topologically-protected then the QAH edge modes wont be topologically-protected too and thus unfit for use in any applications. Further, as a corollary one can also ask if the topological-protection of QSH edge modes does not carry over during the evolution process to QAH edge modes then again our ‘What if?’ scenario becomes apparent. The ‘how’ of the resolution of this ‘What if?’ conundrum is the main objective of our work. We show in similar set-ups affected by disorder and inelastic scattering, transport via trivial QAH edge mode leads to quantization of Hall resistance and not that via topological QAH edge modes. This perhaps begs a substantial reinterpretation of those experiments which purported to find signatures of chiral(topological) QAH edge modes albeit in conjunction with quasi helical QSH edge modes.