bluuebunny/crossref_metadata_2025 huggingface dataset:
Three‐dimensional simulation of lake and ice dynamics during winter
Authors: Oveisy A. , Boegman L. , Imberger J.
Published: November 2011

An ice‐formation algorithm is implemented in the three‐dimensional Estuary and Lake Computer Model, to allow simulation of hydrodynamics and the thermal structure beneath the ice during winter. The one‐dimensional governing equation of heat conduction among the three layers of white ice, blue ice, and snow is solved for the formation of ice cover considering the heat flux through air and water. This algorithm is applied independently in each grid cell within the simulation domain, allowing for spatially variable ice formation. The model was validated against observed data from both a large and a small Canadian mid‐latitude lake (Lake Ontario and Harmon Lake, respectively). The lake surface temperature and the distribution and thickness of ice cover on Lake Ontario were predicted successfully during the 2006–2007 winter period. The model also accurately simulated spring 2007 temperature profiles, as typically used for the initial conditions for a summer simulation. The variation of ice and snow thickness, and vertical temperature profiles, were well‐simulated for Harmon Lake during winter 1990–1991. These comparisons demonstrate the applicability of the model for year‐round simulation of mid‐latitude lakes of varying size.
Distinguishing dynamics of dissolved organic matter components in a forested stream using kinetic enrichments
Authors: Lutz Brian D , Bernhardt Emily S. , Roberts Brian J. , Cory Rose M. , Mulholland Patrick J.
Published: November 2011

Traditional methods for investigating stream solute biogeochemistry measure longitudinal rates of uptake by increasing either the concentration or isotopic composition of solutes. These methods cannot be applied to dissolved organic matter (DOM) because we cannot replicate the heterogeneous native DOM pool. We explored an alternative approach, attempting to displace or enhance benthic uptake of native DOM by supplying an exogenous source of labile carbon or by enriching the stream with inorganic nitrogen. This approach allows us to measure uptake rates of enriched solutes, as well as changes in the concentration and composition of native DOM resulting from the experimental manipulations. We examined DOM composition using fluorescence characterization. We were able to elicit changes in the chemical composition of native DOM by differentially altering the dynamics of autotrophic production and heterotrophic uptake within the second‐order reach of Walker Branch, a well‐studied stream in eastern Tennessee. Supplying heterotrophs with labile carbon resulted in an increase in fluorescence associated with terrestrially derived DOM. Stimulating algae by adding inorganic nitrogen increased autochthonous production and indirectly displaced heterotrophic demand for terrestrial DOM due to increased in‐stream production of bioavailable DOM. While we were able to alter the composition of the native DOM pool, we observed little change in DOM concentrations. The ability to differentiate between DOM subcomponents provides insight into processes controlling DOM production and consumption that cannot be gained by treating DOM as a single bulk pool.
Aerosol optical properties and radiative effect determined from sky-radiometer over Loess Plateau of Northwest China
Authors: Liu Y. , Huang J. , Shi G. , Takamura T. , Khatri P. , Bi J. , Shi J. , Wang T. , Wang X. , Zhang B.
Published: November 2011

Abstract. The aerosol optical properties and their associated radiative effects are derived from sky-radiometer and surface solar radiation data collected over the Semi-Arid Climate and Environment Observatory of Lanzhou University (SACOL) for the period of March to May (MAM) 2009. The result shows that the seasonal mean aerosol optical depth (AOD) at 500 nm in MAM is 0.40. The single scattering albedo (SSA) at 500 nm in MAM at SACOL fluctuates significantly ranging from 0.82 to 0.98. The averaged value of SSA there for background aerosol is 0.90 in MAM, while it is smaller (0.87) during the dust event outbreak period. The smaller SSA can be interpreted as the result of larger particles during dust events. The averaged asymmetry factor (ASY) at 500 nm during dust event period is 0.73, which is larger than 0.70 of background aerosols. The averaged shortwave radiative effects of the aerosols during dust event period in MAM are 0.68, −70.02 and 70.70 W m−2, respectively, at the top of the atmosphere (TOA), surface and in the atmosphere. The aerosols heat the atmosphere during dust event period by up to about 2 K day−1 (daily averaged), which is 60 % larger than the heating (1.25 K day−1) of background aerosols. The significant heating effect in the atmosphere of the aerosols during dust event is determined by larger AOD and smaller SSA.
Method for determination of stable carbon isotope ratio of methylnitrophenols in atmospheric particulate matter
Authors: Moukhtar S. , Saccon M. , Kornilova A. , Irei S. , Huang L. , Rudolph J.
Published: November 2011

Abstract. A technique for the measurement of the stable isotope ratio of methylnitrophenols in atmospheric particulate matter is presented. Atmospheric samples from rural and suburban areas were collected for evaluation of the procedure. Particulate matter was collected on quartz fibre filters using dichotomous high volume air samplers. Methylnitrophenols were extracted from the filters using acetonitrile. The sample was then purified using a combination of high-performance liquid chromatography and solid phase extraction. The final solution was then divided into two aliquots. To one aliquot, a derivatising agent, Bis(trimethylsilyl)trifluoroacetamide, was added for Gas Chromatography-Mass Spectrometry analysis. The second half of the sample was stored in a refrigerator. For samples with concentrations exceeding 1 ng μl−1, the second half of the sample was used for measurement of stable carbon isotope ratios by Gas Chromatography-Isotope Ratio Mass Spectrometry. The procedure described in this paper provides a method for the analysis of methylnitrophenols in atmospheric particulate matter at concentrations as low as 0.3 pg m−3 and for stable isotope ratios with an accuracy of better than ±0.5‰ for concentrations exceeding 100 pg m−3. In all atmospheric particulate matter samples analysed, 2-methyl-4-nitrophenol was found to be the most abundant methylnitrophenol, with concentrations ranging from the low pg m−3 range in rural areas to more than 200 pg m−3 in some samples from a suburban location.
Brightening of onset arc precedes the dipolarization onset: THEMIS observations of two events on 1 March 2008
Authors: Kan J. R. , Li H. , Wang C. , Frey H. U. , Kubyshkina M. V. , Runov A. , Xiao C. J. , Lyu L. H. , Sun W.
Published: November 2011

Abstract. We present a new M-I coupling model of substorm during southward IMF based on the THEMIS observations of two events on 1 March 2008. The first event (E-1) was classified as a pseudo-breakup: brightening of the onset arc preceded the first dipolarization onset by ∼71 ± 3 s, but the breakup arcs faded within ∼5 min without substantial poleward expansion and the dipolarization stopped and reversed to thinning. The second event (E-2) was identified as a substorm: brightening of the second onset arc preceded the second dipolarization onset by ∼80 ± 3 s, leading to a full-scale expanding auroral bulge during the substorm expansion phase for ∼20 min. The Alfvén travel time from the ionosphere to the dipolarization onset region is estimated at ∼69.3 s in E-1; at ∼80.3 s in E-2, which matched well with the observed time delay of the dipolarization onset after the brightening of the onset arc, respectively in E-1 and E-2. Brightening of the onset arc precedes the dipolarization onset suggest that the onset arc brightening is caused by the intense upward field-aligned currents originating from the divergence of the Cowling electrojet in the ionosphere. The Cowling electrojet current loop (CECL) is formed to close the field-aligned currents at all times. The closure current in the Alfvén wavefront is anti-parallel to the cross-tail current. Dipolarization onset occurs when the Alfvén wavefront incident on the near-Earth plasma sheet to disrupt the cross-tail current in the dipolarization region. Slow MHD waves dominate the disruption of the cross-tail current in the dipolarization region.
Catchment classification: hydrological analysis of catchment behavior through process-based modeling along a climate gradient
Authors: Carrillo G. , Troch P. A. , Sivapalan M. , Wagener T. , Harman C. , Sawicz K.
Published: November 2011

Abstract. Catchment classification is an efficient method to synthesize our understanding of how climate variability and catchment characteristics interact to define hydrological response. One way to accomplish catchment classification is to empirically relate climate and catchment characteristics to hydrologic behavior and to quantify the skill of predicting hydrologic response based on the combination of climate and catchment characteristics. Here we present results using an alternative approach that uses our current level of hydrological understanding, expressed in the form of a process-based model, to interrogate how climate and catchment characteristics interact to produce observed hydrologic response. The model uses topographic, geomorphologic, soil and vegetation information at the catchment scale and conditions parameter values using readily available data on precipitation, temperature and streamflow. It is applicable to a wide range of catchments in different climate settings. We have developed a step-by-step procedure to analyze the observed hydrologic response and to assign parameter values related to specific components of the model. We applied this procedure to 12 catchments across a climate gradient east of the Rocky Mountains, USA. We show that the model is capable of reproducing the observed hydrologic behavior measured through hydrologic signatures chosen at different temporal scales. Next, we analyze the dominant time scales of catchment response and their dimensionless ratios with respect to climate and observable landscape features in an attempt to explain hydrologic partitioning. We find that only a limited number of model parameters can be related to observable landscape features. However, several climate-model time scales, and the associated dimensionless numbers, show scaling relationships with respect to the investigated hydrological signatures (runoff coefficient, baseflow index, and slope of the flow duration curve). Moreover, some dimensionless numbers vary systematically across the climate gradient, possibly as a result of systematic co-variation of climate, vegetation and soil related time scales. If such co-variation can be shown to be robust across many catchments along different climate gradients, it opens perspective for model parameterization in ungauged catchments as well as prediction of hydrologic response in a rapidly changing environment.
Three-dimensional parameterizations of the synoptic scale kinetic energy and momentum flux in the Earth's atmosphere
Authors: Coumou D. , Petoukhov V. , Eliseev A. V.
Published: November 2011

Abstract. We present a new set of statistical-dynamical equations (SDEs) which can accurately reproduce the three-dimensional atmospheric fields of synoptic scale kinetic energy and momentum flux. The set of equations is closed by finding proper parameterizations for the vertical macro-turbulent diffusion coefficient and ageostrophic terms. The equations have been implemented in a new SD atmosphere model, named Aeolus. We show that the synoptic scale kinetic energy and momentum fluxes generated by the model are in good agreement with empirical data, which were derived from bandpass-filtered ERA-40 data. In addition to present-day climate, the model is tested for substantially colder (last glacial maximum) and warmer (2×CO2) climates, and shown to be in agreement with general circulation model (GCM) results. With the derived equations, one can efficiently study the position and strength of storm tracks under different climate scenarios with calculation time a fraction of those of GCMs. This work prepares ground for the development of a new generation of fast Earth System Models of Intermediate Complexity which are able to perform multi-millennia simulations in a reasonable time frame while appropriately accounting for the climatic effect of storm tracks.
Annual Report for the Foundation for Education and Research in Biofeedback and Related Sciences (FERB, The Foundation)
Authors: Lehrer Paul , Montgomery Doil D , Shaffer Fred , Russoniello Carmen , McKee Michael , Glaros Alan , Ewing Aubrey , Stumph David , Tan Gabriel , Montgomery Doil D
Published: November 2011

This last year fund raising efforts were very successful. Several lines of raising funds were utilized. As in the past, individuals gave to The Foundation when they renewed their memberships, and as in the past, members were very generous. The foundation also received a sizable contribution from a state society that dissolved its incorporation.
Biofeedback Training: Enhancing Athletic Performance
Authors: Blumenstein Boris , Weinstein Yitzhak
Published: November 2011

During the last three decades, mental skills training of athletes has become widely accepted as an important factor in sport and a vital component of successful performance of top athletes. Biofeedback training (BFT) is a key element/tool of a complex multifaceted treatment/training program aimed at enhancing athletic performance. The main purpose of this conceptual paper is to illustrate the successful integration of the Wingate 5-Step Approach to training programs that are based on a periodization principle. This integration is targeted at the development of both physical and mental skills to optimize and enhance the effectiveness of the mental training process. Examples derived from our experiences are illustrated and discussed.
Sport Psychology Training Program
Authors: Linden Michael , Strack Benjamin
Published: November 2011

This brief report describes a sport psychology training program using an evaluation based on quantitative electroencephalograph (QEEG), biofeedback stress profiling, continuous performance tests, reaction time assessment, and personality tests. The training includes heart rate variability biofeedback and neurofeedback. Graduates of the program include professional and amateur athletes in a variety of sports, including some athletes with special challenges, such as attention-deficit hyperactivity disorder or Asperger's disorder.
Preparation and Characterisation of Highly Loaded Fluorescent Chitosan Nanoparticles
Authors: Katas Haliza , Mui Wen Chan
Published: November 2011

Chitosan (CS) nanoparticles have been developed as a versatile drug delivery system to transport drugs, genes, proteins, and peptides into target sites. Demands on fluorescent nanoparticles have increased recently due to various applications in medical and stem-cell-based researches. In this study, fluorescent CS nanoparticles were prepared by a mild method, namely, complex coacervation. Entrapment efficiency of sulforhodamine (SR101) loaded into CS nanoparticles was investigated to evaluate their capacity in incorporating fluorescent molecule. Particle size of produced fluorescent nanoparticles was in the range of 600–700 nm, and their particle size was highly dependent on the CS molecular weight as well as concentration. A high entrapment efficiency of SR101 into CS nanoparticles could also be obtained when it was dissolved in methanol. In conclusion, highly loaded fluorescent CS nanoparticles could be easily prepared using complex coacervation method and therefore can be applied in various medical researches.
Yttrium Oxide Nanoparticles Prepared by Heat Treatment of Cathodically Grown Yttrium Hydroxide
Authors: Aghazadeh Mustafa , Ghaemi Mehdi , Nozad Golikand Ahmad , Yousefi Taher , Jangju Esmaeil
Published: November 2011

An easy two-step synthetic route is reported for the manufacture of yttrium oxide nanoparticles utilizing aqueous yttrium nitrate solution. In the first step, yttrium hydroxide precursor was grown on stainless steel electrode using a simple cathodic electrodeposition at room temperature. The subsequent second step includes the thermal decomposition of yttrium hydroxide powder at different temperatures for two hours. The synthesized products were characterized by means of X-ray diffraction (XRD), scanning electron microscopy (SEM), differential scanning calorimetery (DSC), FT-IR and Raman spectroscopy. Results showed that the as-deposited Y(OH)3 is composed of nanoparticles with grain size of approximately 40–50 nm. Cubic-structured Y2O3 phase with a porous morphology was finally formed when temperature was raised to 600°C. Results suggested that the final oxide nanoparticles are crystalline and consist only of yttrium oxide phase forming agglomerates of many primary particles with average diameter around 30 nm.
Reducing Prescribing Errors in Paediatric Patients by Assessment and Feedback Targeted at Prescribers
Authors: Eisenhut Michael , Sun Blanche , Skinner Sarah
Published: November 2011

Prescribing errors are the most common type of medical errors and can result in harm particularly in young children. Doctors were enrolled in a programme of written assessment in prescribing skills and individualized feedback. Pharmacists audited the impact. The setting was the paediatric wards and neonatal unit of a District General Hospital. 16 doctors were tested and received feedback. A total of 110 errors were identified in this test, out of a 51 were classified as major including wrong dose and frequency, and prescribing medication the patient had an allergy to. Audit of impact of this intervention revealed a reduction of errors from 47 to 21, and patients affected from 19 to 11 per 100 () emergency admissions compared to an audit before the intervention. An intervention combining a comprehensive multifaceted assessment and detailed feedback can lead to reduction of prescribing errors in paediatric trainees.
Comparative Study of the Influence of Air Pollution on UVI at Maitri in Antarctica and New Delhi in India
Authors: Ganguly Nandita D.
Published: November 2011

The influence of air pollution on the erythemal ultraviolet irradiance (UVI) reaching the earth's surface has been investigated at the Indian Antarctic station Maitri and compared with that at New Delhi, the capital of India, over a period of three years from 2005 to 2007. Total ozone column (TOC), surface ozone, NO2 column, middle tropospheric SO2 column, and BrO column are observed to exhibit a deceasing trend at Maitri, having a clean and pristine environment, while UVI and aerosol optical depth at 500 nm exhibit an increasing trend. This negative correlation suggests that O3, NO2, SO2, and BrO act as filters against erythemal ultraviolet irradiance reaching the earth's surface, while the aerosols, which are present in the atmosphere of Maitri, may not be either very effective in filtering out the UVI reaching the earth's surface or may not be large enough to produce measurable effects on UVI. TOC and BrO column are observed to exhibit a deceasing trend at New Delhi, having comparatively higher levels of pollution, while UVI, NO2 column, middle tropospheric SO2 column, surface ozone, and aerosol optical depth at 500 nm exhibit an increasing trend. This suggests that TOC and BrO act as filters against UVI, while NO2, surface ozone, SO2, and aerosols in the atmosphere of New Delhi may not be large enough to produce measurable effects on UVI.
A Swell in the Armamentarium of Antiepileptic Drug Targets
Authors: Rajasekaran Karthik , Goodkin Howard Parker
Published: November 2011

Although long granted the status of immune privilege, the central nervous system is not completely isolated from the immune system. Increasing evidence suggests that this system contributes to seizures and epilepsy and that the molecular mediators of inflammation and immunity may serve as appropriate targets in the quest to develop novel antiepileptic drugs that are more efficacious and potentially disease modifying.
Soft‐Lithographed Up‐Converted Distributed Feedback Visible Lasers Based on CdSe–CdZnS–ZnS Quantum Dots
Authors: Todescato Francesco , Fortunati Ilaria , Gardin Samuele , Garbin Eleonora , Collini Elisabetta , Bozio Renato , Jasieniak Jacek J. , Della Giustina Gioia , Brusatin Giovanna , Toffanin Stefano , Signorini Raffaella
Published: November 2011

The development of a solution‐deposited up‐converted distributed feedback laser prototype is presented. It employs a sol–gel silica/germania soft‐lithographed microcavity and CdSe–CdZnS–ZnS quantum dot/sol–gel zirconia composites as optical gain material. Characterization of the linear and nonlinear optical properties of quantum dots establishes their high absorption cross‐sections in the one‐ and two‐ photon absorption regimes to be 1 × 10−14 cm2 and 5 × 104 GM, respectively. In addition, ultrafast transient absorption dynamics measurements of the graded seal quantum dots reveal that the Auger recombination lifetime is 220 ps, a value two times higher than that of the corresponding CdSe core. These factors enable the use of such quantum dots as optically pumped gain media, operating in the one‐ and two‐photon absorption regime. The incorporation of CdSe–CdZnS–ZnS quantum dots within a zirconia host matrix affords a quantum‐dot ink that can be directly deposited on our soft‐lithographed distributed feedback grating to form an all‐solution‐processed microcavity laser.
Polymer‐Based Nitric Oxide Therapies: Recent Insights for Biomedical Applications
Authors: Jen Michele C. , Serrano María C. , van Lith Robert , Ameer Guillermo A.
Published: November 2011

Since the discovery of nitric oxide (NO) in the 1980s, this cellular messenger has been shown to participate in diverse biological processes such as cardiovascular homeostasis, immune response, wound healing, bone metabolism, and neurotransmission. Its beneficial effects have prompted increased research in the past two decades, with a focus on the development of materials that can locally release NO. However, significant limitations arise when applying these materials to biomedical applications. This Feature Article focuses on the development of NO‐releasing and NO‐generating polymeric materials (2006–2011) with emphasis on recent in vivo applications. Results are compared and discussed in terms of NO dose, release kinetics, and biological effects, in order to provide a foundation to design and evaluate new NO therapies.
Stereoselectivity of Four (R)‐Selective Transaminases for the Asymmetric Amination of Ketones
Authors: Mutti Francesco G. , Fuchs Christine S. , Pressnitz Desiree , Sattler Johann H. , Kroutil Wolfgang
Published: November 2011

Four (R)‐ω‐transaminases originating from Hyphomonas neptunium (HN‐ωTA), Aspergillus terreus (AT‐ωTA) and Arthrobacter sp. (ArR‐ωTA), as well as an evolved transaminase (ArRmut11‐ωTA) were successfully employed for the amination of prochiral ketones leading to optically pure (R)‐amines. The first three transaminases displayed perfect stereoselectivity for the amination of all substrates tested (ee >99%). Furthermore, the transaminase AT‐ωTA led in most cases to better conversion than ArR‐ωTA and HN‐ωTA using D‐alanine as amine donor. α‐Tetralone, which was the only substrate not accepted by HN‐ωTA, ArR‐ωTA, and AT‐ωTA, was successfully transformed with perfect enantioselectivity (ee >99%) into the corresponding optically pure amine employing the variant ArRmut11‐ωTA.
A New Robust and Efficient Ion‐Tagged Proline Catalyst Carrying an Amide Spacer for the Asymmetric Aldol Reaction
Authors: Montroni Elisa , Sanap Shrihari P. , Lombardo Marco , Quintavalla Arianna , Trombini Claudio , Dhavale Dilip D.
Published: November 2011

The synthesis of a new, highly efficient cis‐ion‐tagged catalyst (8a), possessing an amide linkage between the imidazolium tag and the proline ring, is described. This new bench‐stable catalyst has been tested in the classic asymmetric aldol condensation between ketones and aldehydes “in the presence” of water, and is proposed as a valuable alternative to the analogous but more sensitive ester cis‐2d. Catalyst 8a displayed an excellent efficiency in terms of catalyst loading and stereochemical control.
Primary myelofibrosis: 2012 update on diagnosis, risk stratification, and management
Authors: Tefferi Ayalew
Published: November 2011

Disease overview:Primary myelofibrosis (PMF) is a myeloproliferative neoplasm characterized by stem cell‐derived clonal myeloproliferation, abnormal cytokine expression, bone marrow fibrosis, anemia, splenomegaly, extramedullary hematopoiesis (EMH), constitutional symptoms, cachexia, leukemic progression, and shortened survival.

Diagnosis:Diagnosis is based on bone marrow morphology. The presence of fibrosis,JAK2/MPLmutation or +9/13q‐ cytogenetic abnormality is supportive but not essential for diagnosis. Prefibrotic PMF mimics essential thrombocythemia in its presentation and the distinction is prognostically relevant. Differential diagnosis of myelofibrosis should include chronic myelogenous leukemia, myelodysplastic syndromes, chronic myelomonocytic leukemia, and acute myeloid leukemia.

Risk stratification:The Dynamic International Prognostic Scoring System‐plus (DIPSS‐plus) prognostic model for PMF can be applied at any point during the disease course and uses eight independent predictors of inferior survival: age >65 years, hemoglobin <10 g/dL, leukocytes >25 × 109/L, circulating blasts ≥1%, constitutional symptoms, red cell transfusion dependency, platelet count <100 × 109/L, and unfavorable karyotype (i.e., complex karyotype or sole or two abnormalities that include +8, ‐7/7q‐, i(17q), inv(3), ‐5/5q‐, 12p‐ or 11q23 rearrangement). The presence of 0, 1, “2 or 3,” and ≥4 adverse factors defines low, intermediate‐1, intermediate‐2, and high‐risk disease with median survivals of ∼ 15.4, 6.5, 2.9, and 1.3 years, respectively. A >80% two‐year mortality is predicted by monosomal karyotype, inv(3)/i(17q) abnormalities, or any two of circulating blasts >9%, leukocytes ≥40 × 109/L or other unfavorable karyotype.

Risk‐adapted therapy:Observation alone is adequate for asymptomatic low/intermediate‐1 risk disease. Allogeneic stem cell transplantation or experimental drug therapy is considered for intermediate‐2/ high risk disease. Conventional or experimental drug therapy is reasonable for symptomatic intermediate‐1 risk disease. Splenectomy and low‐dose radiotherapy are used for drug‐refractory splenomegaly. Radiotherapy is also used for the treatment of non‐hepatosplenic EMH, PMF‐associated pulmonary hypertension, and extremity bone pain.
Homeobox genes in obsessive‐compulsive disorder
Authors: Nestadt G. , Wang Y. , Grados M.A. , Riddle M.A. , Greenberg B.D. , Knowles J.A. , Fyer A.J. , McCracken J.T. , Rauch S.L. , Murphy D.L. , Rasmussen S.A. , Cullen B. , Piacentini J. , Geller D. , Pauls D. , Bienvenu O.J. , Chen Y. , Liang K.Y. , Goes F.S. , Maher B. , Pulver A.E. , Shugart Y.Y. , Valle D. , Samuels J.F. , Chang Y.C.
Published: November 2011

Background: Despite evidence that obsessive‐compulsive disorder (OCD) is a familial neuropsychiatric condition, progress aimed at identifying genetic determinants of the disorder has been slow. The OCD Collaborative Genetics Study (OCGS) has identified several OCD susceptibility loci through linkage analysis. Methods: In this study we investigate two regions on chromosomes 15q and 1q by first refining the linkage region using additional short tandem repeat polymorphic (STRP) markers. We then performed association analysis on single nucleotide polymorphisms (SNP) genotyped (markers placed every 2–4 kb) in the linkage regions in the OCGS sample of 376 rigorously phenotyped affected families. Results: Three SNPs are most strongly associated with OCD: rs11854486 (P = 0.00005 [0.046 after adjustment for multiple tests]; genetic relative risk (GRR) = 11.1 homozygous and 1.6 heterozygous) and rs4625687 [P = 0.00007 (after adjustment = 0.06); GRR = 2.4] on 15q; and rs4387163 (P = 0.0002 (after adjustment = 0.08); GRR = 1.97) on 1q. The first SNP is adjacent to NANOGP8, the second SNP is in MEIS2, and the third is 150 kb between PBX1 and LMX1A. Conclusions: All the genes implicated by association signals are homeobox genes and are intimately involved in neurodevelopment. PBX1 and MEIS2 exert their effects by the formation of a heterodimeric complex, which is involved in development of the striatum, a brain region involved in the pathophysiology of OCD. NANOGP8 is a retrogene of NANOG, a homeobox transcription factor known to be involved in regulation of neuronal development. These findings need replication; but support the hypothesis that genes involved in striatal development are implicated in the pathogenesis of OCD. © 2011 Wiley Periodicals, Inc.
Heparin inhibits the interaction of DNA topoisomerase I/anti–topoisomerase I immune complexes with heparan sulfate on dermal fibroblasts
Authors: Arcand Julie , Robitaille Geneviève , Koenig Martial , Senécal Jean‐Luc , Raymond Yves
Published: November 2011

Objective

Previous studies have demonstrated that the systemic sclerosis (SSc)–associated autoantigen DNA topoisomerase I (topo I) binds specifically to the surface of fibroblasts when released in the extracellular environment and recruits anti–topo I autoantibodies, which subsequently leads to the adhesion and activation of monocytes. This study aimed to characterize the molecular interactions of topo I with fibroblast surfaces in order to elucidate the pathogenic role of topo I/anti–topo I immune complexes (ICs) in SSc.

Methods

Topo I directly coupled to fluorochromes was used to follow its binding to fibroblast surfaces by flow cytometry and fluorescence microscopy. Purified IgG from normal subjects or SSc patients was added with topo I to the cells; unfractionated heparin (UFH) and low molecular weight heparin (LMWH) were used to determine their effects on the binding of topo I and topo I/anti–topo I IC to fibroblast surfaces.

Results

Heparan sulfate (HS) proteoglycans on fibroblast surfaces were found to act as coreceptors for topo I binding. The addition of anti–topo I autoantibodies from SSc sera led to the amplification of topo I binding to HS chains. UFH and LMWH were shown to inhibit topo I and topo I/anti–topo I IC binding to HS chains.

Conclusion

This study is the first to show that topo I binds specifically to HS proteoglycans on fibroblast surfaces and that anti–topo I autoantibodies from SSc patients amplify topo I binding to HS chains. The accumulation of topo I on cell surfaces by anti–topo I autoantibodies could contribute to the initiation of an inflammatory cascade stimulating the fibrosis. UFH and LMWH inhibited the binding of topo I/anti–topo I IC to fibroblasts, suggesting a potential therapeutic role in SSc‐associated fibrosis.
Selective, Cytotoxic Organoruthenium(II) Full‐Sandwich Complexes: A Structural, Computational and In Vitro Biological Study
Authors: Loughrey Bradley T. , Cunning Benjamin V. , Healy Peter C. , Brown Christopher L. , Parsons Peter G. , Williams Michael L.
Published: November 2011

A structurally diverse range of lipophilic, cationic η6‐arene η5‐cyclopentadienyl (η5‐Cp*) full‐sandwich complexes of ruthenium(II) have been prepared and structurally characterized by Fourier‐transform IR and NMR spectroscopy, electrospray mass spectrometry, and elemental microanalyses. Computational experiments incorporating the Hartree–Fock theory and the second‐order Møller–Plesset perturbation theory predict each complex to possess a uniform δ+ electrostatic potential, with the cationic charge of the [RuCp*]+ moiety completely delocalizing throughout the molecular structure of each metallocene. In vitro cytotoxicity studies demonstrate these delocalized lipophilic cations to be potent growth inhibitors of eleven unique tumorigenic cell lines, while exhibiting significantly lower levels of toxicity towards both a normal human fibroblast and a mouse macrophage cell line. Single‐crystal X‐ray structural determinations are additionally reported for five complexes, [Ru(η6‐C6H5(CH2)2CH3)(η5‐C5(CH3)5)]BPh4, [Ru(η6‐C6H5CO2CH2CH3)(η5‐C5(CH3)5)]BF4, [Ru(η6‐C10H8)(η5‐C5(CH3)5)]BPh4, [Ru(η6‐C14H10)(η5‐C5(CH3)5)]BPh4, and [Ru(η6‐C16H10)(η5‐C5(CH3)5)]BPh4.
Multigene expression in vivo: Supremacy of large versus small terminators for T7 RNA polymerase
Authors: Du Liping , Villarreal Seth , Forster Anthony C.
Published: November 2011

Designing and building multigene constructs is commonplace in synthetic biology. Yet functional successes at first attempts are rare because the genetic parts are not fully modular. In order to improve the modularity of transcription, we previously showed that transcription termination in vitro by bacteriophage T7 RNA polymerase could be made more efficient by substituting the standard, single, TΦ large (class I) terminator with adjacent copies of the vesicular stomatitis virus (VSV) small (class II) terminator. However, in vitro termination at the downstream VSV terminator was less efficient than at the upstream VSV terminator, and multigene overexpression in vivo was complicated by unexpectedly inefficient VSV termination within Escherichia coli cells. Here, we address hypotheses raised in that study by showing that VSV or preproparathyroid hormone (PTH) small terminators spaced further apart can work independently (i.e., more efficiently) in vitro, and that VSV and PTH terminations are severely inhibited in vivo. Surprisingly, the difference between class II terminator function in vivo versus in vitro is not due to differences in plasmid supercoiling, as supercoiling had a minimal effect on termination in vitro. We therefore turned to TΦ terminators for “BioBrick” synthesis of a pentameric gene construct suitable for overexpression in vivo. This indeed enabled coordinated overexpression and copurification of five His‐tagged proteins using the first construct attempted, indicating that this strategy is more modular than other strategies. An application of this multigene overexpression and protein copurification method is demonstrated by supplying five of the six E. coli translation factors required for reconstitution of translation from a single cell line via copurification, greatly simplifying the reconstitution. Biotechnol. Bioeng. 2012; 109:1043–1050. © 2011 Wiley Periodicals, Inc.
Prognostic value of tumour necrosis and host inflammatory responses in colorectal cancer
Authors: Richards C H , Roxburgh C S D , Anderson J H , McKee R F , Foulis A K , Horgan P G , McMillan D C
Published: November 2011

Background

Tumour necrosis is a marker of poor prognosis in some tumours but the mechanism is unclear. This study examined the prognostic value of tumour necrosis and host inflammatory responses in colorectal cancer.

Methods

This was a retrospective study of patients undergoing potentially curative resection of colorectal cancer at a single surgical institution over a 10-year period. Patients who underwent preoperative radiotherapy were excluded. The systemic and local inflammatory responses were assessed using the modified Glasgow Prognostic Score and Klintrup–Makinen criteria respectively. Original tumour sections were retrieved and necrosis graded as absent, focal, moderate or extensive. Associations between necrosis and clinicopathological variables were examined, and multivariable survival analyses carried out.

Results

A total of 343 patients were included between 1997 and 2007. Tumour necrosis was graded as absent in 32 (9·3 per cent), focal in 166 (48·4 per cent), moderate in 101 (29·4 per cent) and extensive in 44 (12·8 per cent). There were significant associations between tumour necrosis and anaemia (P = 0·022), white cell count (P = 0·006), systemic inflammatory response (P < 0·001), local inflammatory cell infiltrate (P = 0·004), tumour node metastasis (TNM) stage (P = 0·015) and Petersen Index (P = 0·003). On univariable survival analysis, tumour necrosis was associated with cancer-specific survival (P < 0·001). On multivariable survival analysis, age (hazard ratio (HR) 1·29, 95 per cent confidence interval 1·00 to 1·66), systemic inflammatory response (HR 1·74, 1·27 to 2·39), low-grade local inflammatory cell infiltrate (HR 2·65, 1·52 to 4·63), TNM stage (HR 1·55, 1·02 to 2·35) and high-risk Petersen Index (HR 3·50, 2·21 to 5·55) were associated with reduced cancer-specific survival.

Conclusion

The impact of tumour necrosis on colorectal cancer survival may be due to close associations with the host systemic and local inflammatory responses.
Environmental Credit Risk Management in Banks and Financial Service Institutions
Authors: Weber Olaf
Published: November 2011

How do Canadian banks integrate environmental risks into corporate lending and where are they located compared with their global peers? In this paper we report a mixed method analysis of the integration of environmental risks into the credit management. The qualitative and quantitative analyses suggest that all analyzed Canadian commercial banks, credit unions and Export Development Canada manage environmental risks in credit management to avoid financial risks. Some of the institutions even connect environmental and sustainability issues with their general business strategies. Compared with other countries, Canadian banks are best in class, as all six Canadian commercial banks, comprising over 90 percent of Canadian assets, systematically examine environmental risks for credits, loans and mortgages. We conclude that Canadian banks are proactive regarding environmental examinations of loans and that there is a need for a more accountancy related reporting on environmental risk management in financial institutions. Further research is needed to be able to calculate costs and benefits of integrating environmental and sustainability issues into the credit risk management. Copyright © 2011 John Wiley & Sons, Ltd and ERP Environment.
The Influence of Substituents in Diphosphine Ligands on the Hydrogenation Activity and Selectivity of the Corresponding Rhodium Complexes as Exemplified by ButiPhane
Authors: Fischer Christian , Schulz Stefan , Drexler Hans‐Joachim , Selle Carmen , Lotz Matthias , Sawall Mathias , Neymeyr Klaus , Heller Detlef
Published: November 2011

The influence of substituents in ButiPhane ligands (with R=Me, Et, iPr) on the hydrogenation activity and selectivity of the corresponding rhodium complexes has been quantitatively assessed. Increasingly demanding substituents negatively affect the reduction rate of 1,5‐cyclooctadiene in catalyst precursors en route to catalytically active MeOH–solvent complexes. The same trend as to activity is observed in the hydrogenation of prochiral olefins [methyl‐(Z)‐α‐acetamidocinnamate, methyl (Z)‐3‐N‐acetylamino‐3‐methylacrylate, and methyl (Z)‐3‐N‐acetylamino‐3‐phenylacrylate], which however is counterbalanced by an increase in the stereorecognition ability of the bulkier catalysts.
Chemical Synthesis of Helicobacter pylori Lipopolysaccharide Partial Structures and their Selective Proinflammatory Responses
Authors: Shimoyama Atsushi , Saeki Akinori , Tanimura Natsuko , Tsutsui Hiroko , Miyake Kensuke , Suda Yasuo , Fujimoto Yukari , Fukase Koichi
Published: November 2011

Helicobacter pylori is a common cause of gastroduodenal inflammatory diseases such as chronic gastritis and peptic ulcers and also an important factor in gastric carcinogenesis. Recent reports have demonstrated that bacterial inflammatory processes, such as stimulation with H. pylori lipopolysaccharide (LPS), initiate atherosclerosis. To establish the structures responsible for the inflammatory response of H. pylori LPS, we synthesized various kinds of lipid A structures (i.e., triacylated lipid A and Kdo‐lipid A compounds), with or without the ethanolamine group at the 1‐phosphate moiety, by a new divergent synthetic route. Stereoselective α‐glycosylation of Kdo N‐phenyltrifluoroacetimidate was achieved by use of microfluidic methods. None of the lipid A and Kdo‐lipid A compounds were a strong inducer of IL‐1β, IL‐6, or IL‐8, suggesting that H. pylori LPS is unable to induce acute inflammation. In fact, the lipid A and Kdo‐lipid A compounds showed antagonistic activity against cytokine induction by E. coli LPS, except for the lipid A compound with the ethanolamine group, which showed very weak agonistic activity. On the other hand, these H. pylori LPS partial structures showed potent IL‐18‐ and IL‐12‐inducing activities. IL‐18 has been shown to correlate with chronic inflammation, so H. pylori LPS might be implicated in the chronic inflammatory responses induced by H. pylori. These results also indicated that H. pylori LPS can modulate the immune response: NF‐κB activation through hTLR4/MD‐2 was suppressed, whereas production of IL‐18 and IL‐12 was promoted.
Anthraquinone as a Redox Label for DNA: Synthesis, Enzymatic Incorporation, and Electrochemistry of Anthraquinone‐Modified Nucleosides, Nucleotides, and DNA
Authors: Balintová Jana , Pohl Radek , Horáková Petra , Vidláková Pavlína , Havran Luděk , Fojta Miroslav , Hocek Michal
Published: November 2011

Modified 2′‐deoxynucleosides and deoxynucleoside triphosphates (dNTPs) bearing anthraquinone (AQ) attached through an acetylene or propargylcarbamoyl linker at the 5‐position of pyrimidine (C) or at the 7‐position of 7‐deazaadenine were prepared by Sonogashira cross‐coupling of halogenated dNTPs with 2‐ethynylanthraquinone or 2‐(2‐propynylcarbamoyl)anthraquinone. Polymerase incorporations of the AQ‐labeled dNTPs into DNA by primer extension with KOD XL polymerase have been successfully developed. The electrochemical properties of the AQ‐labeled nucleosides, nucleotides, and DNA were studied by cyclic and square‐wave voltammetry, which show a distinct reversible couple of peaks around −0.4 V that make the AQ a suitable redox label for DNA.
A Highly α‐Stereoselective Synthesis of Oligosaccharide Fragments of the Vi Antigen from Salmonella typhi and Their Antigenic Activities
Authors: Yang Lin , Zhu Jingjing , Zheng Xiu‐Jing , Tai Guihua , Ye Xin‐Shan
Published: November 2011

In this paper, a convenient approach to the synthesis of the repeating α‐(1→4)‐linked N‐acetyl galactosaminuronic acid units from the capsular polysaccharide of Salmonella typhi is reported. The exclusively α‐stereoselective glycosylation reactions were achieved by using oxazolidinone‐protected glycosides as building blocks based on a pre‐activation protocol. Di‐, tri‐, and tetrasaccharides were prepared by this short and efficient approach in high yields. The enzyme‐linked immunosorbent assay experiments show that our synthetic tri‐ and tetrasaccharide had much higher antigenic activities than previously reported ones in the inhibition of antibody binding by the native polysaccharide. The results demonstrate that the antigenic activities of saccharides can be strengthened greatly by increasing the number of acetyl groups present.
ChemInform Abstract: Structure Solution of the High‐Pressure Phase of CuWO4 and Evolution of the Jahn—Teller Distortion.
Authors: Ruiz‐Fuertes J. , Friedrich A. , Pellicer‐Porres J. , Errandonea D. , Segura A. , Morgenroth W. , Haussuehl E. , Tu C.‐Y. , Polian A.
Published: November 2011

The structural behavior of the title compound up to 33.9 GPa is characterized by single crystal XRD and EXAFS.
ChemInform Abstract: Tl2Hg3Q4 (Q: S, Se, and Te): High‐Density, Wide‐Band‐Gap Semiconductors.
Authors: Johnsen Simon , Peter Sebastian C. , Nguyen Sandy L. , Song Jung‐Hwan , Jin Hosub , Freeman Arthur J. , Kanatzidis Mercouri G.
Published: November 2011

The title compounds are prepared in 2—5 g batches by reactions of Tl2Q (Q: S, Se, and Te) and HgQ in a 1:3 stoichiometry (sealed carbon‐coated tubes, 823 K, 2 d; annealing at 623 K, 3 weeks).
ChemInform Abstract: The First Examples of Selenidogermanate Salts with Lanthanide Complex Counter Cations: Solvothermal Syntheses and Characterizations of [{Ln(en)3}2(μ‐OH)2] Ge2Se6 (Ln: Eu, Ho) and [{Ho(dien)2}2(μ‐OH)2] Ge2Se6.
Authors: Tang Weiwei , Liang Jingjing , Jiang Wenqing , Wu Bing , Zhang Yong , Jia Dingxian
Published: November 2011

The first selenidogermanate salts with lanthanide complex counter cations (IVa, b) and (V) crystallize in the monoclinic space group P21/n with Z = 2.
ChemInform Abstract: Palladium NCN and CNC Pincer Complexes as Exceptionally Active Catalysts for Aerobic Oxidation in Sustainable Media.
Authors: Urgoitia Garazi , SanMartin Raul , Herrero Maria Teresa , Dominguez Esther
Published: November 2011

The oxidation of secondary alcohols and benzylic methylene compounds under aerobic conditions is achieved employing exceptionally low loadings of palladacycle catalysts.
ChemInform Abstract: Ru—η6‐benzene—Phosphine Complex‐Catalyzed Transfer Hydrogenation of Ketones.
Authors: Wang Lei , Yang Qin , Fu Hai‐Yan , Chen Hua , Yuan Mao‐Lin , Li Rui‐Xiang
Published: November 2011

A new ruthenium complex is an efficient catalyst for the reactions of various substituted aryl, alkyl, and alicyclic ketones.
ChemInform Abstract: Synthesis of o‐(Dimethylamino)aryl Ketones and Acridones by the Reaction of 1,1‐Dialkylhydrazones and Arynes.
Authors: Dubrovskiy Anton V. , Larock Richard C.
Published: November 2011

A variety of ortho‐dimethylamino‐ or ortho‐morpholino‐aryl ketones is prepared from aromatic, heteroaromatic and alkenyl‐derived hydrazones and arynes, generated from ortho‐trimethylsilylaryl triflates.
ChemInform Abstract: Palladium‐Catalyzed Cross‐Coupling of Benzyl Thioacetates and Aryl Halides.
Authors: Wager Krista M. , Daniels Matthew H.
Published: November 2011

One‐ and two‐step procedures are developed.
ChemInform Abstract: Sequential Rhodium‐, Silver‐, and Gold‐Catalyzed Synthesis of Fused Dihydrofurans.
Authors: Wang Hengbin , Denton Justin R. , Davies Huw M. L.
Published: November 2011

The two‐step sequence allows the access to a broad spectrum of multisubstituted benzofuran skeletons.
ChemInform Abstract: Reaction of 1‐(Oxiran‐2‐ylmethyl)‐1H‐indole‐3‐carboxaldehyde with Amines.
Authors: Suzdalev Konstantin F. , Den'kina Sophia , Starikova Alena A. , Dvurechensky Vladimir V. , Kletsky Mikhail E. , Burov Oleg N.
Published: November 2011

Reaction of title compound (I) with anilines (II) results in an oxirane ring opening furnishing amino alcohols (III).
ChemInform Abstract: Regioselective Synthesis of Sulfonylpyrazoles via Base‐Mediated Reaction of Diazosulfones with Nitroalkenes and a Facile Entry into Withasomnine.
Authors: Kumar Rahul , Namboothiri Irishi N. N.
Published: November 2011

The process can be applied to various substrates and affords only one type of regioisomer with concomitant introduction of many functionalities.
ChemInform Abstract: Some New Information on the Formation of Substituted 4‐Amino‐1‐substituted Phenyl‐1H‐pyrazoles from β‐Enaminones and Diazonium Tetrafluoroborates.
Authors: Simunek Petr , Machacek Vladimir , Svobodova Marketa , Ruzicka Ales
Published: November 2011

The formation of the products depends on the steric effect of the substituent at the ortho‐position in the aryl group of the diazonium salt, cf.
ChemInform Abstract: Synthesis of 3‐Substituted 5‐(2‐Thienyl)isoxazoles.
Authors: Potkin V. I. , Petkevich S. K. , Kurman P. V.
Published: November 2011

Thienyl trichloroallyl ketone (I), a synthetic equivalent of β‐chlorovinyl ketones, reacts with hydroxylamine to an intermediate dichloromethyl‐substituted isoxazole which upon reaction with a second hydroxylamine molecule affords the hydoxyiminomethyl‐substituted isoxazole (II).
ChemInform Abstract: Enantioselective N‐Heterocyclic Carbene‐Catalyzed Michael Addition to α,β‐Unsaturated Aldehydes by Redox Oxidation.
Authors: Rong Zi‐Qiang , Jia Min‐Qiang , You Shu‐Li
Published: November 2011

The reaction of various aromatic α,β‐unsaturated aldehydes with dicarbonyl compounds under conditions A) provides enantioenriched substituted 3,4‐dihydro‐α‐pyrones.
ChemInform Abstract: Ni(II) Salts and 2‐Propanol Effect Catalytic Reductive Coupling of Epoxides and Alkynes.
Authors: Beaver Matthew G. , Jamison Timothy F.
Published: November 2011

Isopropanol serves not only as a solvent but also as a reducing agent to provide the desired homoallylic alcohol product and regenerate the active Ni(0) catalyst.