Modeling of the acute toxicity of benzene derivatives by complementary QSAR methods

A data set containing acute toxicity values (96-h LC50) of 69 substituted benzenes for fathead minnow (Pimephales promelas) was investigated with two Quantitative Structure- Activity Relationship (QSAR) models, either using or not using molecular descriptors, respectively. Recursive Neural Networks (RNN) derive a QSAR by direct treatment of the molecular structure, described through an appropriate graphical tool (variable-size labeled rooted ordered trees) by defining suitable representation rules. The input trees are encoded by an adaptive process able to learn, by tuning its free parameters, from a given set of structureactivity training examples. Owing to the use of a flexible encoding approach, the model is target invariant and does not need a priori definition of molecular descriptors. The results obtained in this study were analyzed together with those of a model based on molecular descriptors, i.e. a Multiple Linear Regression (MLR) model using CROatian MultiRegression selection of descriptors (CROMRsel). The comparison revealed interesting similarities that could lead to the development of a combined approach, exploiting the complementary characteristics of the two approaches

Synthesis, radiolabelling and in vitro and in vivo evaluation of a novel fluorinated ABP688 derivative for the PET imaging of metabotropic glutamate receptor subtype 5

(E)-3-(Pyridin-2-ylethynyl)cyclohex-2-enone O-(2-(3-18F-fluoropropoxy)ethyl) oxime ([18F]-PSS223) was evaluated in vitro and in vivo to establish its potential as a PET tracer for imaging metabotropic glutamate receptor subtype 5 (mGluR5). [18F]-PSS223 was obtained in 20% decay corrected radiochemical yield whereas the non-radioactive PSS223 was accomplished in 70% chemical yield in a SN2 reaction of common intermediate mesylate 8 with potassium fluoride. The in vitro binding affinity of [18F]-PSS223 was measured directly in a Scatchard assay to give Kd = 3.34 ± 2.05 nM. [18F]-PSS223 was stable in PBS and rat plasma but was significantly metabolized by rat liver microsomal enzymes, but to a lesser extent by human liver microsomes. Within 60 min, 90% and 20% of [18F]-PSS223 was metabolized by rat and human microsome enzymes, respectively. In vitro autoradiography on horizontal rat brain slices showed heterogeneous distribution of [18F]-PSS223 with the highest accumulation in brain regions where mGluR5 is highly expressed (hippocampus, striatum and cortex). Autoradiography in vitro under blockade conditions with ABP688 confirmed the high specificity of [18F]-PSS223 for mGluR5. Under the same blocking conditions but using the mGluR1 antagonist, JNJ16259685, no blockade was observed demonstrating the selectivity of [18F]-PSS223 for mGluR5 over mGluR1. Despite favourable in vitro properties of [18F]-PSS223, a clear-cut visualization of mGluR5- rich brain regions in vivo in rats was not possible mainly due to a fast clearance from the brain and low metabolic stability of [18F]-PSS223

Dual resonance mechanisms facilitating enhanced optical transmission in coaxial waveguide arrays

We experimentally and computationally demonstrate high transmission through arrays of coaxial apertures with different geometries and arrangements in silver films. By studying both periodic and random arrangements of apertures, we were able to isolate transmission enhancement phenomena owing to surface plasmon effects from those owing to the excitation of cylindrical surface plasmons within the apertures themselves.This work was partially supported by the Office of Naval Research. The support of the Australian Research Council through its Centers of Excellence, Federation Fellow, and Discovery Programs is acknowledged

Effects of Prandial Versus Fasting Glycemia on Cardiovascular Outcomes in Type 2 Diabetes: The HEART2D trial

OBJECTIVE—Hyperglycemia and Its Effect After Acute Myocardial Infarction on Cardiovascular Outcomes in Patients With Type 2 Diabetes Mellitus (HEART2D) is a multinational, randomized, controlled trial designed to compare the effects of prandial versus fasting glycemic control on risk for cardiovascular outcomes in patients with type 2 diabetes after acute myocardial infarction (AMI)

Academic policy advice in consensus-seeking countries: the cases of Belgium and Germany

Research on policy-advisory systems worldwide has shown that historically dominant sources of advice traditionally located in-house to the government have been increasingly supplemented by other actors and outside knowledge. However, the vast majority of research has concentrated on the anglophone context. Yet, countries with a consensus-seeking, neo-corporatist tradition provide a special case in terms of policy advice and merit more scholarly attention. What counts as evidence in these countries is the expert rationality of institutional representatives. The position and role of academic research in consensus-based systems is unclear, and is the focus of this article. Can we observe commonalities across consensus-style countries, or do differences prevail? We investigate two typical consensus-seeking countries: Belgium and Germany. To examine the supply side of policy advice, the article reviews current evidence regarding their policy-advisory systems. For the demand side, we present insights from a survey among federal ministerial officials. We find common trends between the two cases but their nature and extent are idiosyncratic. In Belgium, the supply of and demand for academic policy advice is comparatively lower, while the German case exhibits more change in the advisory landscape and institutionalisation of the supply of and demand for academic research. The politics and administration of institutional chang

Food safety in food services in lombardy : proposal for an inspection-scoring model

The purpose of this study was to elaborate a checklist with an inspection scoring system at national level in order to assess compliance with sanitary hygiene requirements of food services. The inspection scoring system was elaborated taking into account the guidelines drawn up by NYC Department of Food Safety and Mental Hygiene. Moreover the checklist was used simultaneously with the standard inspection protocol adopted by Servizio Igiene Alimenti Nutrizione (Servizio Igiene Alimenti Nutrizione - Ss. I.A.N) and defined by D.G.R 6 March 2017 \u2013 n. X/6299 Lombardy Region. Ss. I.A.N protocol consists of a qualitative response according to which we have generated a new protocol with three different grading: A, B and C. The designed checklist was divided into 17 sections. Each section corresponds to prerequisites to be verified during the inspection. Every section includes the type of conformity to check and the type of violation: critical or general. Moreover, the failure to respect the expected compliance generates 4 severity levels that correspond to score classes. A total of 7 food services were checked with the two different inspection methods. The checklist results generated a food safety score for each food service that ranged from 0.0 (no flaws observed) to 187.2, and generates three grading class: A (0.0-28.0); B (29.0 - 70.0) and C (>71.00). The results from the Ss. I. A. N grading method and the checklist show positive correlation (r=0.94, P>0.01) suggesting that the methods are comparable. Moreover, our scoring checklist is an easy and unique method compared to standard and allows also managers to perform effective surveillance programs in food service

Risk assessment in the recovery of food for social solidarity purposes: preliminary data

The most recent study, conducted by Politecnico of Milan, on food surplus management in Italy, entitled Surplus Food Management Against Food Waste, shows that in the Italian food supply chain, the food surplus is around to 5.5 million tons/year, and the amount of food wasted is around to 5.1 million tons/year. During 2015, the charitable organizations (COs) belonging to Italian Food Bank Network, active in recovering and distributing food for social solidarity\u2019s purposes, reused 381.345 tons of food from 2.292 donors. The main supplying sources of the Banco Alimentare Network are: food industries, organized large-scale retail trade and collective catering service. The aim of this study was to analyze several aspects of the food surplus recovery thanks to the collaboration with the Fondazione Banco Alimentare Onlus (FBAO) and Caritas Italiana. In particular, two main features were analyzed in the food recovery chain: i) the microbiological profiles of specific food categories recovered from catering service with the aim to evaluate their conformity in relation to food safety and process criteria. For this purpose 11 samples were analyzed in four different moments: - T0: same day of the collection; - T1: after four hours of storage at 4\ub0C; - T2: 24 hours from the collection (storage at 4\ub0C);- T3: after four days at frozen storage (-18\ub0C).For all samples several were investigated microbiological parameters: enumeration of Mesophilic aerobic bacteria (AFNOR 3M 01/1-09/89), enumeration of Enterobacteriaceae (AFNOR 3M 01/06-09/97), enumeration of E. coli (AFNOR 3M 01/08-06/01), enumeration of coagulase-positive Staphylococci AFNOR 3M 01/ 9-04/03 A), enumeration of Bacillus cereus (UNI EN ISO 7932:2005), research of Salmonella spp. (UNI EN ISO 6579 (2008b) and research of Listeria monocytogenes (AFNOR BRD 07/4-09/98 (AFNOR, 2010a)). Furthermore, ii) the volunteer\u2019s knowledge on the correct hygienic procedures during the recovery, were evaluated by the 71 questionnaires with the aim to prevent foodborne diseases. The results show that the recovery of surplus from catering service and their reuse at COs should be planned with correct procedures, and the volunteer\u2019s knowledge on the hygienic aspects appear to be a critical point. The recovery and the charitable activities require an appropriate assessment and careful risk analysis, in order to manage the complexity of no profit organization

Effects of Prandial Versus Fasting Glycemia on Cardiovascular Outcomes in Type 2 Diabetes: The HEART2D trial

OBJECTIVE—Hyperglycemia and Its Effect After Acute Myocardial Infarction on Cardiovascular Outcomes in Patients With Type 2 Diabetes Mellitus (HEART2D) is a multinational, randomized, controlled trial designed to compare the effects of prandial versus fasting glycemic control on risk for cardiovascular outcomes in patients with type 2 diabetes after acute myocardial infarction (AMI)

On the edge degrees of trees

Let mij(G) be the number of edges of graph G, connecting vertices of degrees i and j. Necessary and sufficient conditions are established on a symmetric matrix M of type Δ × Δ such that there is a tree T for which Mij = mij(T) holds for all i, j