Search results for " Linear"

New insights into the mechanism of action of pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-one derivatives endowed with anticancer potential

2018

Due to the scarce biological profile, the pyrazolo[1,2-a]benzo[1,2,3,4]tetrazine-3-one scaffold (PBT) has been recently explored as promising core for potential anticancer candidates. Several suitably decorated derivatives (PBTs) exhibited antiproliferative activity in the low-micromolar range associated with apoptosis induction and cell cycle arrest on S phase. Herein, we selected the most active derivatives and submitted them to further biological explorations to deepen the mechanism of action. At first, a DNA targeting is approached by means of flow Linear Dichroism experiments so as to evaluate how small planar molecules might interact with DNA, including the interference with the catal…

Numerical Treatment of the Filament-Based Lamellipodium Model (FBLM)

2017

We describe in this work the numerical treatment of the Filament-Based Lamellipodium Model (FBLM). This model is a two-phase two-dimensional continuum model, describing the dynamics of two interacting families of locally parallel F-actin filaments. It includes, among others, the bending stiffness of the filaments, adhesion to the substrate, and the cross-links connecting the two families. The numerical method proposed is a Finite Element Method (FEM) developed specifically for the needs of this problem. It is comprised of composite Lagrange–Hermite two-dimensional elements defined over a two-dimensional space. We present some elements of the FEM and emphasize in the numerical treatment of t…

Adherence to the Mediterranean diet is associated with better quality of life: data from the Osteoarthritis Initiative

2016

BACKGROUND The Mediterranean diet has positively influenced various medical conditions, but only a paucity of studies has considered the relation between the Mediterranean diet and quality of life (QOL) among people living in North America. OBJECTIVE We investigated whether a higher adherence to the Mediterranean diet (aMED) was associated with better QOL and decreased pain, stiffness, disability, and depression in a large cohort of North Americans from the Osteoarthritis Initiative. DESIGN aMED was evaluated through a validated Mediterranean diet score categorized into quintiles. Outcomes of interest were QOL [assessed with the 12-Item Short-Form Health Outcome Survey (SF-12)]; disability,…

A heuristic, iterative algorithm for change-point detection in abrupt change models

2017

Change-point detection in abrupt change models is a very challenging research topic in many fields of both methodological and applied Statistics. Due to strong irregularities, discontinuity and non-smootheness, likelihood based procedures are awkward; for instance, usual optimization methods do not work, and grid search algorithms represent the most used approach for estimation. In this paper a heuristic, iterative algorithm for approximate maximum likelihood estimation is introduced for change-point detection in piecewise constant regression models. The algorithm is based on iterative fitting of simple linear models, and appears to extend easily to more general frameworks, such as models i…

Search of Chemical Scaffolds for Novel Antituberculosis Agents

2005

3 A method to identify chemical scaffolds potentially active against Mycobacterium tuberculosis is presented. The molecular features of a set of structurally heterogeneous antituberculosis drugs were coded by means of structural invariants. Three tech- niques were used to obtain equations able to model the antituberculosis activity: linear discriminant analysis, multilinear re- gression, and shrinkage estimation-ridge regression. The model obtained was statistically validated through leave-n-out test, and an external set and was applied to a database for the search of new active agents. The selected compounds were assayed in vitro, and among those identified as active stand reserpine, N,N,N…

Structural Basis of the High Affinity Interaction between the Alphavirus Nonstructural Protein-3 (nsP3) and the SH3 Domain of Amphiphysin-2

2016

We show that a peptide from Chikungunya virus nsP3 protein spanning residues 1728–1744 binds the amphiphysin-2 (BIN1) Src homology-3 (SH3) domain with an unusually high affinity (Kd 24 nM). Our NMR solution complex structure together with isothermal titration calorimetry data on several related viral and cellular peptide ligands reveal that this exceptional affinity originates from interactions between multiple basic residues in the target peptide and the extensive negatively charged binding surface of amphiphysin-2 SH3. Remarkably, these arginines show no fixed conformation in the complex structure, indicating that a transient or fluctuating polyelectrostatic interaction accounts for this …

EMERGENCE: WHAT DOES IT MEAN AND HOW IS IT RELEVANT TO COMPUTER ENGINEERING?

2018

A more efficient cutting planes approach for the green vehicle routing problem with capacitated alternative fuel stations

2021

AbstractThe Green Vehicle Routing Problem with Capacitated Alternative Fuel Stations assumes that, at each station, the number of vehicles simultaneously refueling cannot exceed the number of available pumps. The state-of-the-art solution method, based on the generation of all feasible non-dominated paths, performs well only with up to 2 pumps. In fact, it needs cloning the paths between every pair of pumps. To overcome this issue, in this paper, we propose new path-based MILP models without cloning paths, for both the scenario with private stations (i.e., owned by the fleet manager) and that with public stations. Then, a more efficient cutting plane approach is designed for addressing both…

Determining the best shipper sizes for sending products to customers

2014

A distribution company has to send products, packed into shippers, from the warehouse to retail shops. The number of different shipper types is regarded as a parameter given by the user, who is looking for a balance between transportation costs and stock and procurement costs. The problem is to decide the sizes of the shipper types to keep at the warehouse so as to minimize the cost of meeting the forecasted demand over the planning horizon. In this paper, we describe an integer linear programming formulation for the problem and obtaining feasible solutions. Other models, based on multiknapsack and p-median and facility location models, are for obtaining lower bounds. We study several ways …

Statistical analysis of sensory profiling data. Graphs for presenting results (PCA and ANOVA)

2000

Abstract A principal component analysis is performed to analyse the matrix of median values, with 16 varieties in rows, and all descriptors in columns. Only texture descriptors contribute to the definition of the main axes. Six varieties are identified that score high on mealiness and low on moisture, the 10 other varieties are ordered according to a mashable axis which involves texture descriptors. Next we exclude texture descriptors since the main characteristics are already found, and mealy varieties since they are not suitable for steamed potatoes. A mixed linear model (ANOVA) with random subject effects is then used for each descriptor. Flavour and taste differences are found among the…