The impact of heavy quark mass effects in the NNPDF global analysis

We discuss the implementation of the FONLL general-mass scheme for heavy quarks in deep-inelastic scattering in the FastKernel framework, used in the NNPDF series of global PDF analysis. We present the general features of FONLL and benchmark the accuracy of its implementation in FastKernel comparing with the Les Houches heavy quark benchmark tables. We then show preliminary results of the NNPDF2.1 analysis, in which heavy quark mass effects are included following the FONLL-A GM scheme.Comment: 5 pages, 3 figures; to appear in the proceedings of DIS 2010, Firenz

Progress on neural parton distributions

We give a status report on the determination of a set of parton distributions based on neural networks. In particular, we summarize the determination of the nonsinglet quark distribution up to NNLO, we compare it with results obtained using other approaches, and we discuss its use for a determination of $\alpha_s$.Comment: 4 pages, 2 figs, uses dis2007.cls, to appear in the DIS 2007 workshop proceeding

Recent progress on NNPDF for LHC

We present recent results of the NNPDF collaboration on a full DIS analysis of Parton Distribution Functions (PDFs). Our method is based on the idea of combining a Monte Carlo sampling of the probability measure in the space of PDFs with the use of neural networks as unbiased universal interpolating functions. The general structure of the project and the features of the fit are described and compared to those of the traditional approaches.Comment: 4 pages, 6 figures, contribution for the proceedings of the conference "Rencontres de Moriond, QCD and High Energy Interactions

A multi-enzymatic cascade reaction for the synthesis of vidarabine 5'-monophosphate

We here described a three-step multi-enzymatic reaction for the one-pot synthesis of vidarabine 5'-monophosphate (araA-MP), an antiviral drug, using arabinosyluracil (araU), adenine (Ade), and adenosine triphosphate (ATP) as precursors. To this aim, three enzymes involved in the biosynthesis of nucleosides and nucleotides were used in a cascade mode after immobilization: uridine phosphorylase from Clostridium perfringens (CpUP), a purine nucleoside phosphorylase from Aeromonas hydrophila (AhPNP), and deoxyadenosine kinase from Dictyostelium discoideum (DddAK). Specifically, CpUP catalyzes the phosphorolysis of araU thus generating uracil and α-d-arabinose-1-phosphate. AhPNP catalyzes the coupling between this latter compound and Ade to form araA (vidarabine). This nucleoside becomes the substrate of DddAK, which produces the 5'-mononucleotide counterpart (araA-MP) using ATP as the phosphate donor. Reaction conditions (i.e., medium, temperature, immobilization carriers) and biocatalyst stability have been balanced to achieve the highest conversion of vidarabine 5'-monophosphate (≥95.5%). The combination of the nucleoside phosphorylases twosome with deoxyadenosine kinase in a one-pot cascade allowed (i) a complete shift in the equilibrium-controlled synthesis of the nucleoside towards the product formation; and (ii) to overcome the solubility constraints of araA in aqueous medium, thus providing a new route to the highly productive synthesis of araA-MP

Immobilization of old yellow enzymes via covalent or coordination bonds

Ene-reductases (ERs) belonging to the old yellow enzyme (OYE) family have been thoroughly investigated for the stereospecific reduction of activated prochiral C=C double bonds. In this work, OYE3 was immobilized both by covalent binding on glyoxyl-agarose (OYE3-GA), and by affinity-based adsorption on EziG™ particles (OYE3-EziG). The immobilized OYE3-GA was demonstrated to be active (activity recovery = 52%) and to retain almost 100% of its activity under the enzymatic assay conditions (50 mM phosphate buffer pH 7, 28 °C) for six days, whereas the activity of the non-immobilized enzyme dropped to 50% after two days. In the case of EziG™, the highest activity recovery (54%) was achieved by using the most hydrophilic carrier (EziG™ Opal) that was selected for the full characterization of this type of enzyme preparation (stability, recycling, re-use, enzyme leakage). OYE3-EziG was slightly less stable than OYE3-GA under the same experimental conditions. OYE3-GA could be recycled and re-used for up to 12 reaction cycles in the bioreduction of α-methyl-trans-cinnamaldehyde; after 12 runs, the highest conversion achieved was 40%. In the case of the co-immobilized OYE3/GDH-EziG, the conversion dropped to 56% after two reaction cycles. No enzyme leakage was detected over 48 h for both OYE3-GA and OYE3/GDH-EziG (50 mM phosphate buffer pH 7, 28 °C). These seed results pave the way for a true optimization of the immobilization of OYE3, as well as for the use of immobilized OYE3 for preparative applications both in batch and continuous flow conditions

Progress in the Neural Network Determination of Polarized Parton Distributions

We review recent progress towards a determination of a set of polarized parton distributions from a global set of deep-inelastic scattering data based on the NNPDF methodology, in analogy with the unpolarized case. This method is designed to provide a faithful and statistically sound representation of parton distributions and their uncertainties. We show how the FastKernel method provides a fast and accurate method for solving the polarized DGLAP equations. We discuss the polarized PDF parametrizations and the physical constraints which can be imposed. Preliminary results suggest that the uncertainty on polarized PDFs, most notably the gluon, has been underestimated in previous studies.Comment: 5 pages, 2 figures; to appear in the proceedings of DIS 2010, Firenz

Parton distributions: determining probabilities in a space of functions

We discuss the statistical properties of parton distributions within the framework of the NNPDF methodology. We present various tests of statistical consistency, in particular that the distribution of results does not depend on the underlying parametrization and that it behaves according to Bayes' theorem upon the addition of new data. We then study the dependence of results on consistent or inconsistent datasets and present tools to assess the consistency of new data. Finally we estimate the relative size of the PDF uncertainty due to data uncertainties, and that due to the need to infer a functional form from a finite set of data.Comment: 11 pages, 8 figures, presented by Stefano Forte at PHYSTAT 2011 (to be published in the proceedings

Parton distributions with threshold resummation

We construct a set of parton distribution functions (PDFs) in which fixed-order NLO and NNLO calculations are supplemented with soft-gluon (threshold) resummation up to NLL and NNLL accuracy respectively, suitable for use in conjunction with any QCD calculation in which threshold resummation is included at the level of partonic cross sections. These resummed PDF sets, based on the NNPDF3.0 analysis, are extracted from deep-inelastic scattering, Drell-Yan, and top quark pair production data, for which resummed calculations can be consistently used. We find that, close to threshold, the inclusion of resummed PDFs can partially compensate the enhancement in resummed matrix elements, leading to resummed hadronic cross-sections closer to the fixed-order calculation. On the other hand, far from threshold, resummed PDFs reduce to their fixed-order counterparts. Our results demonstrate the need for a consistent use of resummed PDFs in resummed calculations.Comment: 43 pages, 17 figures, accepted for publication in JHE

Synthesis of Ribavirin, Tecadenoson, and Cladribine by enzymatic transglycosylation

Despite the impressive progress in nucleoside chemistry to date, the synthesis of nucleoside analogues is still a challenge. Chemoenzymatic synthesis has been proven to overcome most of the constraints of conventional nucleoside chemistry. A purine nucleoside phosphorylase from Aeromonas hydrophila (AhPNP) has been used herein to catalyze the synthesis of Ribavirin, Tecadenoson, and Cladribine, by a “one-pot, one-enzyme” transglycosylation, which is the transfer of the carbohydrate moiety from a nucleoside donor to a heterocyclic base. As the sugar donor, 7-methylguanosine iodide and its 2′-deoxy counterpart were synthesized and incubated either with the “purine-like” base or the modified purine of the three selected APIs. Good conversions (49-67%) were achieved in all cases under screening conditions. Following this synthetic scheme, 7-methylguanine arabinoside iodide was also prepared with the purpose to synthesize the antiviral Vidarabine by a novel approach. However, in this case, neither the phosphorolysis of the sugar donor, nor the transglycosylation reaction were observed. This study was enlarged to two other ribonucleosides structurally related to Ribavirin and Tecadenoson, namely, Acadesine, or AICAR, and 2-chloro-N6-cyclopentyladenosine, or CCPA. Only the formation of CCPA was observed (52%). This study paves the way for the development of a new synthesis of the target APIs at a preparative scale. Furthermore, the screening herein reported contributes to the collection of new data about the specific substrate requirements of AhPNP