bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enantioselective Hydrogenation of Olefins Enhanced by Metal–Organic Framework Additives
Authors: Vilhanová Beáta , Ranocchiari Marco , van Bokhoven Jeroen A. 
Published: November 2015

AbstractThe use of nonprotic solvents (e.g., dichloromethane, toluene) increases the enantioselectivity of the asymmetric hydrogenation of olefins with chiral [Rh(Me‐BPE)(cod)]OTf [Me‐BPE=1,2‐bis(2,5‐dimethylphospholano)ethane; cod=1,5‐cyclooctadiene; OTf=triflate]. Readily available achiral metal–organic frameworks (MOFs) as additives yielded substantially enhanced reactivity. In toluene (but not dichloromethane), the MOFs adsorbed the homogeneous catalyst, which directly reduced rhodium contamination in the products of the reaction. The in situ formed heterogeneous catalyst was reused without loss in selectivity.
One‐Pot Synthesis of Mesoporous Anatase‐TiO2(B) Mixed‐Phase Nanowires Decorated with Sulfur and Fe2O3 Nanoparticles for Visible‐Light Photochemical Oxidation
Authors: Zhang Guoliang , Qin Lei , Chen Lei , Xu Zehai , Liu Mingming , Guo Xinwen 
Published: November 2015

AbstractWe present a facial one‐pot synthesis method for fabrication of mesoporous anatase‐TiO2(B) mixed‐phase nanowires (TNWs) decorated with sulfur and Fe2O3 nanoparticles (NPs). Through one‐pot calcination, control of morphology and crystal phase for TNWs was easily achieved. After calcined at 773 K, mixed‐phase heterostructured TNWs with mesoporous structure and high surface area were obtained. This can not only lead ultrafine NPs well‐disperse in porous matrix, but also greatly enhance interfacial separation and transfer of photo‐induced charges between various planes. Moreover, sulfur doping improved acid/light properties of solid and brought more orbital‐overlapping between active sites and H2O2. The prepared S‐Fe2O3/anatase‐TiO2(B) TNWs had excellent catalytic ability in visible‐light assisted Fenton oxidation at neutral pH, which was attributed to the synergistic effect of sulfur species, NPs and TNWs. The progresses are valuable in developing highly efficient and green heterogeneous catalysts.
A New Structural Family of Gas‐Sorbing Coordination Polymers Derived from Phenolic Carboxylic Acids
Authors: White Keith F. , Abrahams Brendan F. , Babarao Ravichandar , Dharma A. David , Hudson Timothy A. , Maynard‐Casely Helen E. , Robson Richard 
Published: November 2015

AbstractThe structure of Li(inox)⋅2/3 DMF (inox−=the N‐oxide of the isonicotinate anion) consists of a 3D framework with solvent‐filled, square cross‐section channels of approximate dimensions 5.5×5.5 Å. Unfortunately, the Li(inox) framework is unstable upon removal of DMF from the channels. When the structurally related 4‐hydroxybenzoic acid (H2hba) was used in place of Hinox, and Zn2+ in place of the Li+, a structurally similar but more robust network, Zn(hba), was obtained; the isostructural compound, Co(hba), may also be prepared. Longer ligands with phenolate and carboxylate functional groups at opposite ends, such as the dianions of 4‐coumaric acid (H2cma) and 4′‐hydroxy‐4‐biphenylcarboxylic acid (H2hbpc), in combination with Zn2+ yield Zn(cma) and Zn(hbpc) frameworks, respectively, with the same PtS topology but with larger channels. The coordination polymers remain intact after desolvation and exhibit microporosity, showing the ability to sorb significant quantities of CO2, CH4, and H2.
Copper‐Catalyzed Double Additions and Radical Cyclization Cascades in the Re‐Engineering of the Antibacterial Pleuromutilin
Authors: Ruscoe Rebecca E. , Fazakerley Neal J. , Huang Huanming , Flitsch Sabine , Procter David J. 
Published: November 2015

AbstractA general synthetic sequence involving simply prepared starting materials provides rapid access to diverse, novel tricyclic architectures inspired by pleuromutilin. SmII‐mediated radical cyclization cascades of dialdehydes, prepared using a new, one‐pot, copper‐catalyzed double organomagnesium addition to β‐chlorocyclohexenone, proceed with complete sequence selectivity and typically with high diastereocontrol to give analogues of the target core. Our expedient approach (ca. 7 steps) allows non‐traditional, de novo synthetic access to analogues of the important antibacterial that can′t be prepared from the natural product by semisynthesis.
Q‐Curvature on a Class of Manifolds with Dimension at Least 5
Authors: Hang Fengbo , Yang Paul C. 
Published: November 2015

AbstractFor a smooth compact Riemannian manifold with positive Yamabe invariant, positive Q‐curvature, and dimension at least 5, we prove the existence of a conformal metric with constant Q‐curvature. Our approach is based on the study of an extremal problem for a new functional involving the Paneitz operator.© 2016 Wiley Periodicals, Inc.
Compact model order reduction of weakly nonlinear systems by associated transform
Authors: Zhang Yang , Wong Ngai 
Published: November 2015

SummaryWe advance a recently proposed approach, called the associated transform, for computing slim projection matrices serving high‐order Volterra transfer functions in the context of weakly nonlinear model order reduction (NMOR). The innovation is to carry out an association of multivariate (Laplace) variables in high‐order multiple‐input multiple‐output transfer functions to generate univariate single‐s transfer functions. In contrast to conventional projection‐based NMOR which finds projection subspaces about every si in multivariate transfer functions, only that about a single s is required in the proposed approach. This leads to much more compact reduced‐order models without compromising accuracy. Specifically, the proposed NMOR procedure first converts the original set of Volterra transfer functions into a new set of linear transfer functions, which then allows direct utilization of linear MOR techniques for modeling weakly nonlinear systems with either single‐tone or multi‐tone inputs. An adaptive algorithm is also given to govern the selection of appropriate basis orders in different Volterra transfer functions. Numerical examples then verify the effectiveness of the proposed scheme. Copyright © 2015 John Wiley & Sons, Ltd.
Development of role‐differentiated bimanual manipulation in infancy: Part 2. Hand preferences for object acquisition and RDBM—continuity or discontinuity?
Authors: Babik Iryna , Michel George F. 
Published: November 2015

ABSTRACTThis second paper in a series of three investigated the development of hand preference for role‐differentiated bimanual manipulation (RDBM) relative to the infant's hand preference for object acquisition and to the infant's hand‐use for acquiring the objects used to assess RDBM. The same 90 infants (30 with a right preference, 30 with a left preference, and 30 with no preference to acquire objects) from the first paper were tested from 9 to 14 months for hand preference for acquiring those objects used to assess RDBM and for a hand preference for RDBM. Multilevel analysis revealed that infants with a hand preference for acquiring objects decreased in their use of the preferred hand for object acquisition during the 11 to 14 month interval, which coincided with the development of a hand preference for RDBM. These results are discussed in relation to the cascade theory of hand preference development. © 2015 Wiley Periodicals, Inc. Dev Psychobiol 58: 257–267, 2016.
Synthesis and Photophysical Investigation of Tetraazaporphyrin Substituted with Aggregation‐Induced Emission (AIE) Active Moieties
Authors: Tasso Thiago Teixeira , Furuyama Taniyuki , Mack John , Nyokong Tebello , Kobayashi Nagao 
Published: November 2015

AbstractThe synthesis and characterization of free‐base and ZnII tetraazaporphyrins with tetraphenylethylene (TPE) or diphenylphenanthrene (DPP) moieties that are known to be aggregation‐induced emission (AIE) active is reported. The optical spectra contain the characteristic Q and B absorption bands of Gouterman's four‐orbital model and a broad envelope of weaker charge‐transfer bands in the 450–600 nm region. The observed fluorescence emission lies beyond 670 nm and originates exclusively from the decay of the S1 state of the macrocycle, regardless of the excitation wavelength used. Theoretical calculations provide further evidence of strong electronic communication between the peripheral TPE or DPP moieties and the central ring. The ZnII complexes were found to have relatively high singlet‐oxygen quantum yields.
Ambient‐Temperature Synthesis of 2‐Phosphathioethynolate, PCS–, and the Ligand Properties of ECX– (E = N, P; X = O, S)
Authors: Jupp Andrew R. , Geeson Michael B. , McGrady John E. , Goicoechea Jose M. 
Published: November 2015

AbstractA synthesis of the 2‐phosphathioethynolate anion, PCS–, under ambient conditions is reported. The coordination chemistry of PCO–, PCS– and their nitrogen‐containing congeners is also explored. Photolysis of a solution of W(CO)6 in the presence of PCO– [or a simple ligand displacement reaction using W(CO)5(MeCN)] affords [W(CO)5(PCO)]– (1). The cyanate and thiocyanate analogues, [W(CO)5(NCO)]– (2) and [W(CO)5(NCS)]– (3), are also synthesised using a similar methodology, allowing for an in‐depth study of the bonding properties of this family of related ligands. Our studies reveal that, in the coordination sphere of tungsten(0), the PCO– anion preferentially binds through the phosphorus atom in a strongly bent fashion, while NCO– and NCS– coordinate linearly through the nitrogen atom. Reactions between PCS– and W(CO)5(MeCN) similarly afford [W(CO)5(PCS)]–; however, due to the ambidentate nature of the anion, a mixture of both the phosphorus‐ and sulfur‐bonded complexes (4a and 4b, respectively) is obtained. It was possible to establish that, as with PCO–, the PCS– ion also coordinates to the metal centre in a bent fashion.
Small‐Molecule Therapeutics for Ebola Virus (EBOV) Disease Treatment
Authors: Izawa Kunisuke , Aceña José Luis , Wang Jiang , Soloshonok Vadim A. , Liu Hong 
Published: November 2015

AbstractThe current epidemic of Ebola virus (EBOV) hemorrhagic fever in sub‐Saharan West‐African countries, in terms of severity, is second only to the human immunodeficiency virus (HIV). Besides the strong pathogenicity of EBOV, the unprecedented fatality rates (up to 90 %) are partially the result of a near total absence of any proper vaccines and therapeutics to combat the EBOV epidemic. This review highlights the recent progress in identification of purely chemical, small‐molecule drugs of considerable potential to be used as effective therapeutics for prevention, diagnosis, and treatment of EBOV. In particular, we profile three compounds – favipiravir, BCX‐4430, and brincidofovir – identified by the World Health Organization as high‐priority targets. The detailed syntheses and modes of antiviral activity of these drugs are critically discussed. The major goal of this review is to encourage the chemistry community to focus research on this area of high social impact.
Ligand‐Free Pd/C‐Catalyzed One‐Pot, Three‐Component Synthesis of Aryl‐Substituted Benzimidazoles by Hydrogen‐Transfer and Suzuki Reactions in Water
Authors: Xu Chen , Xiao Zhi‐Qiang , Li Hong‐Mei , Han Xin , Wang Zhi‐Qiang , Fu Wei‐Jun , Ji Bao‐Ming , Hao Xin‐Qi , Song Mao‐Ping 
Published: November 2015

AbstractAn efficient protocol for the ligand‐free and heterogeneous Pd/C‐catalyzed one‐pot, three‐component synthesis of aryl‐substituted benzimidazoles from benzyl alcohols by using water as the solvent was developed. The reaction involves hydrogen‐transfer and Suzuki reactions. This method is quite convenient and environmentally friendly.
A Common Precursor Approach to Structurally Diverse Natural Products: The Synthesis of the Core Structure of (±)‐Clausenamide and the Total Synthesis of (±)‐Hyalodendrin
Authors: Szulc Blanka R. , Sil Bruno C. , Ruiz Arnaud , Hilton Stephen T. 
Published: November 2015

AbstractStructurally diverse natural products from unrelated sources typically require the development of individual synthetic routes. In a novel approach, we have shown that the epidithiodiketopiperazine‐derived natural product (±)‐hyalodendrin and the core structure of the unrelated pyrrolidine‐derived natural product clausenamide can be synthesised from a common synthetic precursor in good yield by simple variation of the reaction conditions.
Sensory survey of key compounds of toilet malodour in Switzerland, India and Africa
Authors: Chappuis Charles Jean‐François , Niclass Yvan , Cayeux Isabelle , Starkenmann Christian 
Published: November 2015

AbstractImproving sanitation in developing countries is a key issue. New toilets must be clean and well maintained and must present a pleasant olfactory experience. Knowledge about toilet malodour is crucial to create pleasant perfumes for toilets. To identify the key constituents of toilet malodour, we created synthetic reconstitutions based on our previous analytical work, and we performed sensory surveys in Switzerland, India and Africa to evaluate the efficiency of our synthetic reconstitutions made of selected key compounds to evoke toilet malodor. The olfactory stimuli were two reconstitutions of faecal odours and a reconstitution of stale urine odour. We also used three perfumes as controls: banana, lemon and lavender. Participants from Geneva (N = 21, Switzerland) and from the slums of Ahmedabad (N = 105, India), Nairobi (N = 143, Kenya) and Durban N = 144, South Africa) were familiar with all odours presented. They described banana, lemon and lavender as pleasant odours and both faecal reconstitutions and stale urine reconstitution as unpleasant odours. Faecal reconstitutions were identified as odours that emanate from faeces or latrines in all countries. These results confirm and consolidate those of previous studies on faecal odours in identifying butyric acid, p‐cresol, indole and dimethyl trisulfide as strong contributors to human faecal odour. © 2015 The Authors. Flavour and Fragrance Journal published by John Wiley & Sons, Ltd
Stabilisation of AMG solvers for saddle‐point stokes problems
Authors: Webster Ronald 
Published: November 2015

SummaryWhen a block factorisation is used to precondition the saddle‐point equations of the discrete Stokes problem, the stability that this gives for the relaxation of residual errors may not be conserved in the coarse‐grid approximations (CGA) of algebraic multi‐grid (AMG) solvers. If the same first‐order interpolation is used in the inter‐grid transfer operators for the scalar and the vector fields, the conditioning degrades with each coarsening step until eventually a critical coarsening is reached beyond which residual errors are no longer damped and will become divergent with any further coarsening. It is shown that by introducing the same block pre‐conditioner as an integral part of the coarsening algorithm, stable smoothing can be maintained at all levels of the CGA. The pre‐conditioning need only be applied at preselected grid levels, one immediately before the critical threshold and others beyond that level if required. Excessive complexity in the CGA is thereby avoided. The method is purely algebraic and may be used for both classical AMG solvers and for smoothed‐aggregation AMG solvers. It should be applicable to other coupled vector and scalar fields in science and engineering that involve second‐order (block‐diagonal) and first‐order (block‐off‐diagonal) discrete difference operators. Copyright © 2015 John Wiley & Sons, Ltd.
Selective reduction of fMRI responses to transient achromatic stimuli in the magnocellular layers of the LGN and the superficial layer of the SC of early glaucoma patients
Authors: Zhang Peng , Wen Wen , Sun Xinghuai , He Sheng 
Published: November 2015

AbstractGlaucoma is now viewed not just a disease of the eye but also a disease of the brain. The prognosis of glaucoma critically depends on how early the disease can be detected. However, early glaucomatous loss of the laminar functions in the human lateral geniculate nucleus (LGN) and superior colliculus (SC) remains difficult to detect and poorly understood. Using functional MRI, we measured neural signals from different layers of the LGN and SC, as well as from the early visual cortices (V1, V2 and MT), in patients with early‐stage glaucoma and normal controls. Compared to normal controls, early glaucoma patients showed more reduction of response to transient achromatic stimuli than to sustained chromatic stimuli in the magnocellular layers of the LGN, as well as in the superficial layer of the SC. Magnocellular responses in the LGN were also significantly correlated with the degree of behavioral deficits to the glaucomatous eye. Finally, early glaucoma patients showed no reduction of fMRI response in the early visual cortex. These findings demonstrate that ‘large cells’ in the human LGN and SC suffer selective loss of response to transient achromatic stimuli at the early stage of glaucoma. Hum Brain Mapp 37:558–569, 2016. © 2015 Wiley Periodicals, Inc.
Three‐dimensional multispectral optoacoustic mesoscopy reveals melanin and blood oxygenation in human skin in vivo
Authors: Schwarz Mathias , Buehler Andreas , Aguirre Juan , Ntziachristos Vasilis 
Published: November 2015

Optical imaging plays a major role in disease detection in dermatology. However, current optical methods are limited by lack of three‐dimensional detection of pathophysiological parameters within skin. It was recently shown that single‐wavelength optoacoustic (photoacoustic) mesoscopy resolves skin morphology, i.e. melanin and blood vessels within epidermis and dermis. In this work we employed illumination at multiple wavelengths for enabling three‐dimensional multispectral optoacoustic mesoscopy (MSOM) of natural chromophores in human skin in vivo operating at 15–125 MHz. We employ a per‐pulse tunable laser to inherently co‐register spectral datasets, and reveal previously undisclosed insights of melanin, and blood oxygenation in human skin. We further reveal broadband absorption spectra of specific skin compartments. We discuss the potential of MSOM for label‐free visualization of physiological biomarkers in skin in vivo.
Cross‐sectional optoacoustic image of human skin in vivo. The epidermal layer is characterized by melanin absorption. A vascular network runs through the dermal layer, exhibiting blood oxygenation values of 50–90%. All scale bars: 250 µmmagnified imageCross‐sectional optoacoustic image of human skin in vivo. The epidermal layer is characterized by melanin absorption. A vascular network runs through the dermal layer, exhibiting blood oxygenation values of 50–90%. All scale bars: 250 µm
Lithium‐doped β‐tricalcium phosphate: Effects on physical, mechanical and in vitro osteoblast cell–material interactions
Authors: Vahabzadeh Sahar , Hack Vaughn Kohsei , Bose Susmita 
Published: November 2015

AbstractIn this work, we have investigated the effects of lithium (Li) dopant at different concentrations and sintering temperatures on the physical and mechanical properties of β‐tricalcium phosphate (β‐TCP). Our results showed that Li addition at concentrations of 0.65 and 1.0 wt % inhibits the β‐TCP to α‐TCP phase transformation. 0.15 wt % Li addition resulted in grain growth and extensive liquid phase was formed at higher concentrations. At 1150°C, compressive strength of β‐TCP increased from 138.7 ± 19.9 MPa to 170.9 ± 29.8 MPa with the addition of 0.15 wt % Li. Addition of higher amounts of Li decreased the compressive strength and the lowest compressive strength of 99.8 ± 13.7 MPa was found in samples containing 1.0 wt % Li. After 3 days of culture, osteoblast cells grew to confluence on samples containing 0.65 and 1.0 wt % Li. Cells grew to confluence on all doped samples after 11 days of culture and optical cell density was 4–5 folds higher on 0.15 and 1.0 wt % Li‐doped TCP samples. Our results show that both Li content and sintering temperature have significant influence toward physicochemical and mechanical properties of β‐TCP which affects the osteoblast cell–materials interaction in Li‐doped TCP scaffolds. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 391–399, 2017.
Boron nitride nanotubes and nanoplatelets as reinforcing agents of polymeric matrices for bone tissue engineering
Authors: Farshid Behzad , Lalwani Gaurav , Shir Mohammadi Meisam , Simonsen John , Sitharaman Balaji 
Published: November 2015

AbstractThis study investigates the mechanical properties andin vitrocytotoxicity of one‐ and two‐dimensional boron nitride nanomaterials‐reinforced biodegradable polymeric nanocomposites. Poly(propylene fumarate) (PPF) nanocomposites were fabricated using crosslinking agentN‐vinyl pyrrolidone and inorganic nanomaterials: boron nitride nanotubes (BNNTs) and boron nitride nanoplatelets (BNNPs) dispersed at 0.2 wt % in the polymeric matrix. The incorporation of BNNPs and BNNTs resulted in a ∼38 and ∼15% increase in compressive (Young's) modulus, and ∼31 and ∼6% increase in compressive yield strength compared to PPF control, respectively. The nanocomposites showed a time‐dependent increased protein adsorption for collagen I protein. The cytotoxicity evaluation of aqueous BNNT and BNNP dispersions (at 1–100 μg/mL concentrations) using murine MC3T3 preosteoblast cells showed ∼73–99% viability. The cytotoxicity evaluation of media extracts of nanocomposites before crosslinking, after crosslinking, and upon degradation (using 1×–100× dilutions) showed dose‐dependent cytotoxicity responses. Crosslinked nanocomposites showed excellent (∼79–100%) cell viability, cellular attachment (∼57–67%), and spreading similar to cells grown on the surface of tissue culture polystyrene control. The media extracts of degradation products showed a dose‐dependent cytotoxicity. The favorable cytocompatibility results in combination with improved mechanical properties of BNNT and BNNP nanocomposites opens new avenues for furtherin vitroandin vivosafety and efficacy studies towards bone tissue engineering applications. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 406–419, 2017.
Recombinant Mitochondrial Manganese Containing Superoxide Dismutase Protects Against Ochratoxin A‐Induced Nephrotoxicity
Authors: Ciarcia Roberto , Damiano Sara , Squillacioti Caterina , Mirabella Nicola , Pagnini Ugo , Florio Alessia , Severino Lorella , Capasso Giovambattista , Borrelli Antonella , Mancini Aldo , Boffo Silvia , Romano Gaetano , Giordano Antonio , Florio Salvatore 
Published: November 2015

ABSTRACTOchratoxin A (OTA) is a natural mycotoxin, involved in the development of important human and animal diseases. In this work we have studied the role of oxidative stress in the development of OTA nephrotoxicity and the effect of a new recombinant mitochondrial manganese containing superoxide dismutase (rMnSOD) to prevent kidney damage induced by OTA. Blood pressure, glomerular filtration rate and renal histology were analyzed in control rats and in OTA treated rats. In addition, lipid peroxidation, catalase and superoxide dismutase productions were measured. Our data showed that animals treated with OTA presented hypertension and reduction of glomerular filtration rate (GFR). These effects are most probably related to an increase in the reactive oxygen species (ROS) productions. In fact, we have shown that treatment with rMnSOD restored the levels of blood pressure and GFR simultaneously. Moreover, we have noted that OTA induced alteration on glomerular and tubular degeneration and interstitial infiltrates and that use of rMnSOD combined with OTA prevent this renal histological damage confirming the potential therapeutic role in the treatment of rMnSOD OTA nephrotoxicity. J. Cell. Biochem. 117: 1352–1358, 2016. © 2015 Wiley Periodicals, Inc.