bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oxyfunctionalization of aliphatic compounds by a recombinant peroxygenase from Coprinopsis cinerea
Authors: Babot Esteban D. , del Río José C. , Kalum Lisbeth , Martínez Angel T. , Gutiérrez Ana 
Published: March 2013

AbstractThe goal of this study is the selective oxyfunctionalization of aliphatic compounds under mild and environmentally friendly conditions using a low‐cost enzymatic biocatalyst. This could be possible taking advantage from a new peroxidase type that catalyzes monooxygenase reactions with H2O2 as the only cosubstrate (peroxygenase). With this purpose, recombinant peroxygenase, from gene mining in the sequenced genome of Coprinopsis cinerea and heterologous expression using an industrial fungal host, is tested for the first time on aliphatic substrates. The reaction on free and esterified fatty acids and alcohols, and long‐chain alkanes was followed by gas chromatography, and the different reaction products were identified by mass spectrometry. Regioselective hydroxylation of saturated/unsaturated fatty acids was observed at the ω‐1 and ω‐2 positions (only at the ω‐2 position in myristoleic acid). Alkyl esters of fatty acids and monoglycerides were also ω‐1 or ω‐2 hydroxylated, but di‐ and tri‐glycerides were not modified. Fatty alcohols yielded hydroxy derivatives at the ω‐1 or ω‐2 positions (diols) but also fatty acids and their hydroxy derivatives. Interestingly, the peroxygenase was able to oxyfunctionalize alkanes giving, in addition to alcohols at positions 2 or 3, dihydroxylated derivatives at both sides of the molecule. The predominance of mono‐ or di‐hydroxylated derivatives seems related to the higher or lower proportion of acetone, respectively, in the reaction medium. The recombinant C. cinerea peroxygenase appears as a promising biocatalyst for alkane activation and production of aliphatic oxygenated derivatives, with better properties than the previously reported peroxygenase from Agrocybe aegerita, and advantages related to its recombinant nature for enzyme engineering and industrial production. Biotechnol. Bioeng. 2013; 110:2323–2332. © 2013 Wiley Periodicals, Inc.
Quantitative Z‐Contrast Imaging of Supported Metal Complexes and Clusters—A Gateway to Understanding Catalysis on the Atomic Scale
Authors: Browning Nigel D. , Aydin Ceren , Lu Jing , Kulkarni Apoorva , Okamoto Norihiko L. , Ortalan Volkan , Reed Bryan W. , Uzun Alper , Gates Bruce C. 
Published: March 2013

AbstractZ‐contrast imaging in an aberration‐corrected scanning transmission electron microscope can be used to observe and quantify the sizes, shapes, and compositions of the metal frames in supported mono‐, bi‐, and multimetallic metal clusters and can even detect the metal atoms in single‐metal‐atom complexes, as well as providing direct structural information characterizing the metal–support interface. Herein, we assess the major experimental challenges associated with obtaining atomic resolution Z‐contrast images of the materials that are highly beam‐sensitive, that is, the clusters readily migrate and sinter on support surfaces, and the support itself can drastically change in structure if the experiment is not properly controlled. Calibrated and quantified Z‐contrast images are used in conjunction with ex situ analytical measurements and larger‐scale characterization methods such as extended X‐ray absorption fine structure spectroscopy to generate an atomic‐scale understanding of supported catalysts and their function. Examples of the application of these methods include the characterization of a wide range of sizes and compositions of supported clusters, primarily those incorporating Ir, Os, and Au, on highly crystalline supports (zeolites and MgO).
Predictors of depression in breast cancer patients treated with radiation: Role of prior chemotherapy and nuclear factor kappa B
Authors: Torres Mylin A. , Pace Thaddeus W. , Liu Tian , Felger Jennifer C. , Mister Donna , Doho Gregory H. , Kohn Jordan N. , Barsevick Andrea M. , Long Qi , Miller Andrew H. 
Published: March 2013

BACKGROUNDDepression is common during and after breast cancer treatment. However, the role of specific therapeutic modalities and related biologic mechanisms remains unclear. Radiation is an essential component of breast‐conserving therapy and may contribute to depression in patients with breast cancer through the activation of inflammatory pathways.METHODSDepressive symptoms and inflammatory mediators, including nuclear factor kappa B (NF‐κB), were assessed at baseline (before radiation), during radiation, and 6 weeks after radiation in 64 women who had stage 0 through IIIA breast cancer.RESULTSNo significant increases in depressive symptoms occurred during or after radiation, although a number of patients exhibited moderate‐to‐severe depression throughout the study. Multivariate analyses of baseline factors predictive of depression revealed that educational status, perceived stress, prior chemotherapy, and peripheral blood NF‐κB DNA binding all were independent predictors of persistent depressive symptoms after radiation (all P < .05). Of these factors, only prior chemotherapy was associated with inflammatory mediators, including NF‐κB DNA binding, soluble tumor necrosis factor‐alpha receptor 2, and interleukin‐6, which, in univariate analyses predicted depressive symptoms after radiation (all P < .05). Chemotherapy‐treated patients also exhibited an over‐representation of gene transcripts regulated by NF‐κB.CONCLUSIONSRadiation was not associated with increased depressive symptoms in the current study, but of disease and treatment‐related factors, prior chemotherapy predicted significant depression after radiation. Longitudinal studies are warranted to investigate the relationship among prior chemotherapy, inflammation, and persistent depression after breast cancer treatment. Cancer 2013;119:1951–1959. © 2013 American Cancer Society.
Dichotomy between Palladium(II)–Tin(II) and Palladium(0)–Tin(IV) in Complexes of a Sn,As‐Based Chelate Ligand
Authors: Mirzadeh Nedaossadat , Bennett Martin , Wagler Jörg , Wächtler Erik , Gerke Birgit , Pöttgen Rainer , Bhargava Suresh 
Published: March 2013

AbstractA dinuclear Pd–Sn bonded complex is reported, in which the interaction of the formally tin(II)‐based ligand, [2‐MeBrSnC6F4AsPh2]–, with palladium appears to be best described as PdI–SnIII or Pd0–SnIV.
A Missing Link in Undecagold Cluster Chemistry: Single‐Crystal X‐ray Analysis of [Au11(PPh3)7Cl3]
Authors: Gutrath Benjamin S. , Englert Ulli , Wang Yutian , Simon Ulrich 
Published: March 2013

AbstractBecause of quantum‐size effects, molecular gold clusters are promising materials for applications in nanoscience and nanotechnology. Owing to the feasible synthesis of Au11 species out of [Au(PPh3)Cl], this material is the subject of many investigations, although its full crystal structure including the ligand shell remained unknown. We have been able to obtain the solid‐state structure at atomic resolution, even for the cocrystallized solvent molecules: The composition of the red crystals corresponds to [Au11(PPh3)7Cl3]·CH2Cl2·1.5{(CH3CH2)2O}. The gold atoms in the cluster subtend a core of almost C3v symmetry derived from a centered icosahedron, which is present in most Au11 species. The mean Au–Au distance amounts to 2.8076 Å and the mean Au–Cl distance to 2.3730 Å; both are in good agreement with comparable data in structurally characterized gold clusters. The mean core diameter, measured between the centers of the gold atoms of opposite sides of the cluster, is about 4.9 Å, and the overall van der Waals diameter can be estimated to 19.8 Å. The optical absorbance of [Au11(PPh3)7Cl3] in solution reveals characteristic peaks at 318 and 406 nm and a shoulder between 450 and 550 nm. The peak at 406 nm and the shoulder can also be resolved for the solid. The energy of the first optically active electron transition of ca. 2.0 eV is very close to the theoretically derived data of the HOMO–LUMO gap. In accordance with the literature, only one singlet in the 31P{1H} NMR spectrum is found at δ = 52 ppm, even at –80 °C.
Synthesis of a D Ring‐Functionalized Derivative of the Epiwelwistatin Tetracyclic Core
Authors: Ruiz Míriam , López‐Alvarado Pilar , Menéndez J. Carlos 
Published: March 2013

AbstractA 14‐oxo derivative of the tetracyclic core of the alkaloid 3‐epi‐welwistatin was prepared by a regioselective ring expansion of Kornfeld's ketone followed by a Michael‐intramolecular aldol anionic domino process to generate a tetracyclic system that contained a bicyclo[4.3.1]decane fragment fused to an indole. Treating this compound with N‐bromosuccinimide in tert‐butyl alcohol diastereoselectively generated the oxindole ring that is inherent to the natural product.
Effect of alumina nanoparticles on the thermal properties of carbon fibre‐reinforced composites
Authors: Rallini Marco , Natali Maurizio , Monti Marco , Kenny José M. , Torre Luigi 
Published: March 2013

ABSTRACTIn this work, we investigated the thermal behaviour of a carbon‐fibre composite impregnated with nano‐alumina‐based nanocomposites. First of all, we demonstrated that it is possible to obtain good dispersion and distribution of nanoparticles by mechanical mixing. In all the studied filler percentages, the presence of the ceramic filler did not affect the processability of the blends and the mechanical properties of the composites.First, the thermal stability of the nanocomposites was investigated by thermogravimetric analysis (TGA). Then, the fire reaction of the fibre‐reinforced composites was studied at different heat fluxes, by TGA, cone calorimeter and exposure to a direct flame. In presence of an oxidizing hyperthermal environment, the experimental data suggested the role of ceramic particles as anti‐oxidizer agent for the char and the carbon fibres. Moreover, the use of alumina nanoparticles allowed a slight reduction of heat release rate. Particularly at a heat flux of 35 kW/m2, the burnt material containing the higher quantity of nano‐alumina maintained a residual structural integrity because of the higher presence of char that bound together the fibres. To estimate the integrity of the composites after exposure to a direct flame (heat flux 500 kW/m2), mechanical tests were carried out on the burnt specimens. Copyright © 2013 John Wiley & Sons, Ltd.
Detection of an observed 135 year ocean temperature change from limited data
Authors: Hobbs William R. , Willis Joshua K. 
Published: March 2013

AbstractRecent work comparing historical hydrographic data with modern Argo observations shows a long‐term change in the global ocean temperature. The magnitude of this change is greater than estimates of late 20th century warming, and implies a century‐scale change in the global oceans. Using global coupled climate models from the Coupled Model Intercomparison Project Phase 5 suite of simulations, we assess to what extent this observed temperature difference can be attributed to a genuine long‐term warming trend. After accounting for natural variability and sampling errors, we find convincing evidence that there has indeed been a century‐scale anthropogenic warming of the global ocean up to the present day, and a strong possibility of anthropogenic warming from 1873 to 1955. The estimated 1873–1955 ocean warming implies a net top‐of‐atmosphere energy imbalance of 0.1 ± 0.06 Wm–2, and a thermosteric global mean sea level rise of 0.50 ± 0.2 mma–1.
A comparative study of human and rat hippocampal low‐frequency oscillations during spatial navigation
Authors: Watrous Andrew J. , Lee Darrin J. , Izadi Ali , Gurkoff Gene G. , Shahlaie Kiarash , Ekstrom Arne D. 
Published: March 2013

ABSTRACTRhythmic oscillations within the 3–12 Hz theta frequency band manifest in the rodent hippocampus during a variety of behaviors and are particularly well characterized during spatial navigation. In contrast, previous studies of rhythmic hippocampal activity in primates under comparable behavioral conditions suggest it may be less apparent and possibly less prevalent, or even absent, compared with the rodent. We compared the relative presence of low‐frequency oscillations in rats and humans during spatial navigation by using an oscillation detection algorithm (“P‐episode” or “BOSC”) to better characterize their presence in microelectrode local field potential (LFP) recordings. This method quantifies the proportion of time the LFP exceeds both a power and cycle duration threshold at each frequency, characterizing the presence of (1) oscillatory activity compared with background noise, (2) the peak frequency of oscillatory activity, and (3) the duration of oscillatory activity. Results demonstrate that both humans and rodents have hippocampal rhythmic fluctuations lasting, on average, 2.75 and 4.3 cycles, respectively. Analyses further suggest that human hippocampal rhythmicity is centered around ∼3 Hz while that of rats is centered around ∼8 Hz. These results establish that low‐frequency rhythms relevant to spatial navigation are present in both the rodent and human hippocampus, albeit with different properties under the behavioral conditions tested. © 2013 Wiley Periodicals, Inc.
The Strategic Value of HRD in Lean Strategy Implementation
Authors: Alagaraja Meera , Egan Toby 
Published: March 2013

AbstractCentral to the relevance of HRD is the inclusion of HRD professionals and functions in organizational strategy. Understanding how HRD units and professionals contribute to or hinder organizational strategy is important for the field. We describe an organizational case in which a systemic strategic initiative involving “Lean strategy” is deployed and the specific contributions by HRD. We also highlight and provide themes from both extant general strategy and Lean strategy literature and key findings from thematic analysis from multilevel organizational interview data. An empirically derived model framing the strategic value of HRD in Lean strategy implementation is provided. These findings highlight HRD contributions for organizations involved in strategy implementation.
The impact of rural land management changes on soil hydraulic properties and runoff processes: results from experimental plots in upland UK
Authors: Marshall M. R. , Ballard C. E. , Frogbrook Z. L. , Solloway I. , McIntyre N. , Reynolds B. , Wheater H. S. 
Published: March 2013

AbstractTo develop an evidence base to help predict the impacts of land management change on flood generation, four experimental sites were established on improved grassland used for sheep grazing at the Pontbren catchment in upland Wales, UK. At each site, three plots were established where surface runoff was measured, supplemented by measurements of soil infiltration rates and soil and vegetation physical properties. Following baseline monitoring, treatments were applied to two of the plots: exclusion of sheep (ungrazed) and exclusion of sheep and planting with native broadleaf tree species (tree planted), with the third plot acting as a control (grazed pasture). Due to a particularly dry summer that occurred pre‐treatment, the soil hydrological responses were initially impacted by the effects of the climate on soil structure. Nevertheless, treatments did have a clear influence on soil hydrological response. On average, post‐treatment runoff volumes were reduced by 48% and 78% in ungrazed and tree‐planted plots relative to the control, although all results varied greatly over the sites. Five years following treatment application, near‐surface soil bulk density was reduced and median soil infiltration rates were 67 times greater in plots planted with trees compared to grazed pasture. The results illustrate the potential use of upland land management for ameliorating local‐scale flood generation but emphasise the need for long‐term monitoring to more clearly separate the effects of land management from those of climatic variability. Copyright © 2013 John Wiley & Sons, Ltd.
Estimation of a possible maximum flood event in the Tone River basin, Japan caused by a tropical cyclone
Authors: Ishikawa Hirohiko , Oku Yuichiro , Kim Sunmin , Takemi Tetsuya , Yoshino Jun 
Published: March 2013

AbstractThe damage to society caused by tropical cyclones depends largely on the storm track relative to geography. A procedure is proposed to generate different typhoon tracks deviating from the original track of a given reference case. In this procedure, the position of a typhoon is artificially shifted at a certain time before landing in a physically consistent way by applying potential vorticity inversion methodology. After shifting the typhoon position, the subsequent progress is again simulated by a mesoscale weather model. The procedure is applied to a strong typhoon that emerged in a global warming experiment using an atmospheric general circulation model. Various realizations of typhoon landfall cases are generated. Using the output of a suite of realization of different tracks, the worst case scenario is discussed in terms of the river discharge in the Tone River basin, Japan. Copyright © 2013 John Wiley & Sons, Ltd.
Oral bisphosphonate use and colorectal cancer incidence in the Women's Health Initiative
Authors: Passarelli Michael N , Newcomb Polly A , LaCroix Andrea Z , Lane Dorothy S , Ho Gloria YF , Chlebowski Rowan T 
Published: March 2013

ABSTRACT

Bisphosphonates are widely prescribed to increase bone density in postmenopausal women with osteopenia or osteoporosis. Aminobisphosphonates have numerous anticancer properties and reduce bone metastases in cancer patients. Several studies, including the Women's Health Initiative (WHI), have found that use of oral bisphosphonates is associated with reduced risk of developing breast cancer, but less is known about associations with other common malignancies in women such as colorectal cancer (CRC). A few case-control and retrospective cohort studies have reported decreased risk of CRC among bisphosphonate users. In contrast, a prospective cohort study found no association. We evaluated the association between oral bisphosphonate use and CRC incidence in 156,826 postmenopausal women, ages 50 to 79 years, who participated in WHI clinical trials and observational study. A detailed health interview was conducted at baseline, and bisphosphonate use was ascertained from an inventory of regularly used medications at baseline and over follow-up. A total of 1931 women were diagnosed with incident invasive CRC during a median follow-up of 12 years. Alendronate was the most commonly used bisphosphonate, accounting for &gt;90% of the total person-years of use. The association between oral bisphosphonate use and CRC risk did not reach statistical significance (hazard ratio [HR] from multivariable-adjusted models = 0.88; 95% confidence interval [CI] 0.72–1.07; p = 0.19). Furthermore, we did not observe greater risk reductions for women with longer duration of use. Uncontrolled confounding may explain why previous studies have observed an association.
Monocyte chemoattractant protein-1 is a mediator of the anabolic action of parathyroid hormone on bone
Authors: Tamasi Joseph A , Vasilov Anatoliy , Shimizu Emi , Benton Noah , Johnson Joshua , Bitel Claudine L , Morrison Nigel , Partridge Nicola C 
Published: March 2013

ABSTRACT

Parathyroid hormone (PTH) has a significant role as an anabolic hormone in bone when administered by intermittent injection. Previous microarray studies in our laboratory have shown that the most highly regulated gene, monocyte chemoattractant protein-1 (MCP-1), is rapidly and transiently induced when hPTH(1-34) is injected intermittently in rats. Through further in vivo studies, we found that rats treated with hPTH(1-34) showed a significant increase in serum MCP-1 levels 2 hours after PTH injection compared with basal levels. Using immunohistochemistry, increased MCP-1 expression in osteoblasts and osteocytes is evident after PTH treatment. PTH also increased the number of marrow macrophages. MCP-1 knockout mice injected daily with hPTH(1-34) showed less trabecular bone mineral density and bone volume compared with wild-type mice as measured by peripheral quantitative computed tomography (pQCT) and micro-computed tomography (µCT). Histomorphometric analysis revealed that the increase in osteoclast surface and osteoclast number observed with intermittent PTH treatment in the wild-type mice was completely eliminated in the MCP-1 null mice, as well as much lower numbers of macrophages. Consequently, the lack of osteoclast and macrophage activity in the MCP-1 null mice was paralleled by a reduction in bone formation. We conclude that osteoblast and osteocyte MCP-1 expression is an important mediator for the anabolic effects of PTH on bone.
Enzymatic transesterification of soybean ethanolic miscella for biodiesel production
Authors: Sangaletti Naiane , Cea Mara , Regitano‐d'Arce Marisa Aparecida Bismara , de Souza Vieira Thaís Maria Ferreira , Navia Rodrigo 
Published: March 2013

AbstractBACKGROUNDBiodiesel production is not economically competitive with petroleum diesel particularly when using virgin and refined vegetable oils. Rich‐in‐oil miscella obtained from the extraction of soybean oil with ethanol may be a promising feedstock for taking off the refining process, simultaneously introducing an environmental friendly step by replacing hexane by ethanol as a renewable solvent in the oil extraction process. The aim of this study was to investigate the production of biodiesel from the oil–ethanol miscella by direct transesterification using Novozym®435 as catalyst and ethanol as acyl acceptor; simultaneously optimizing the process by response surface methodology and enzyme reuse.RESULTSThe best experimental conditions indicated by the empirical model were temperature 40 °C, oil:ethanol molar ratio 1:4.5 and catalyst concentration 9.5% for 24 h, reaching 85.4% fatty acid ethylic esters (FAEE) yield. Tert‐butanol used as co‐solvent increased the ethyl esters yield from 18%, keeping a high FAEE yield (over 70%) for more than 3 cycles of enzyme reuse.CONCLUSIONSRich miscella has great potential as a low cost feedstock for biodiesel production when Novozym®435 is used as catalyst, simultaneously introducing an environmentally friendly step by using the renewable solvent ethanol in the extraction and transesterification. © 2013 Society of Chemical Industry
Experimental study on coarse grain saltation dynamics in bedrock channels
Authors: Chatanantavet Phairot , Whipple Kelin X. , Adams Mark A. , Lamb Michael P. 
Published: March 2013

AbstractSaltation of bed load particles on bedrock surfaces is important for landscape evolution and bedrock incision in steep landscapes. However, few studies have investigated saltation in bedrock channels where, unlike alluvial channels, the bed roughness height and the sediment size may be independent. To address this data gap, we measured the saltation hop height, hop length, and velocity of gravel saltating over a planar bed using 80–160 readings from high‐speed photography and direct measurements. Two separate dimensional analyses are used: one leading to a bed shear stress scaling and another leading to a Froude number (Fr) scaling. Our new saltation data coupled with numerous data from previous studies suggest that both shear stress and Fr‐scaling analyses are valid in characterizing bed load saltation dynamics with bed roughness ranging from smooth to alluvial beds. However, the Fr approach has the advantages that (1) there is no need to estimate a critical Shields stress , which alone can vary up to 2 orders of magnitude (e.g., 0.001–0.1) due to changes in relative bed roughness and slope and (2) the Fr‐based scaling fits the saltation data set better in a least squares sense. Results show that the saltation velocity of bed load is independent of grain density and grain size and is linearly proportional to flow velocity. Saltation height has a nonlinear dependence on grain size. Saltation length increases primarily with flow velocity, and it is inversely proportional to submerged specific density. Our results suggest that either or bed roughness coefficient must be properly estimated to yield accurate results in saltation‐abrasion models.