Free-energy barrier to melting of single-chain polymer crystallite

We report Monte Carlo simulations of the melting of a single-polymer crystallite. We find that, unlike most atomic and molecular crystals, such crystallites can be heated appreciably above their melting temperature before they transform to the disordered "coil" state. The surface of the superheated crystallite is found to be disordered. The thickness of the disordered layer increases with superheating. However, the order-disorder transition is not gradual but sudden. Free-energy calculations reveal the presence of a large free-energy barrier to melting.Comment: AMS-Latex, 4 pages with 5 figures, submitted to Phys. Rev. Let

Lattice model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing

We report Monte Carlo simulations of a lattice-polymer model that can account for both polymer crystallization and liquid-liquid demixing in solutions of semiflexible homopolymers. In our model, neighboring polymer segments can have isotropic interactions that affect demixing, and anisotropic interactions that are responsible for freezing. However, our simulations show that the isotropic interactions also have a noticeable effect on the freezing curve, as do the anisotropic interactions on demixing. As the relative strength of the isotropic interactions is reduced, the liquid-liquid demixing transition disappears below the freezing curve. A simple, extended Flory-Huggins theory accounts quite well for the phase behavior observed in the simulations.Comment: Revtex, 7 pages, the content accepted by J. Chem. Phy

Potential for improvement of docetaxel-based chemotherapy: a pharmacological review

Since the introduction of docetaxel, research has focused on various approaches to overcome treatment limitations and improve outcome. This review discusses the pharmacological attempts at treatment optimisation, which include reducing interindividual pharmacokinetic and pharmacodynamic variability, optimising schedule, route of administration, reversing drug resistance and the development of structurally related second-generation taxanes

In silico evaluation of limited sampling strategies for individualized dosing of extended half-life factor IX concentrates in hemophilia B patients

PURPOSE: Hemophilia B is a bleeding disorder, caused by a factor IX (FIX) deficiency. Recently, FIX concentrates with extended half-life (EHL) have become available. Prophylactic dosing of EHL-FIX concentrates can be optimized by assessment of individual pharmacokinetic (PK) parameters. To determine these parameters, limited sampling strategies (LSSs) may be applied. The study aims to establish adequate LSSs for estimating individual PK parameters of EHL-FIX concentrates using in silico evaluation. METHODS: Monte Carlo simulations were performed to obtain FIX activity versus time profiles using published population PK models for N9-GP (Refixia), rFIXFc (Alprolix), and rIX-FP (Idelvion). Fourteen LSSs, containing three or four samples taken within 8 days after administration, were formulated. Bayesian analysis was applied to obtain estimates for clearance (CL), half-life (t(1/2)), time to 1% (Time(1%)), and calculated weekly dose (Dose(1%)). Bias and precision of these estimates were assessed to determine which LSS was adequate. RESULTS: For all PK parameters of N9-GP, rFIXFc and rIX-FP bias was generally acceptable (range: −5% to 5%). For N9-GP, precision of all parameters for all LSSs was acceptable (< 25%). For rFIXFc, precision was acceptable for CL and Time(1%), except for t(1/2) (range: 27.1% to 44.7%) and Dose(1%) (range: 12% to 29.4%). For rIX-FP, all LSSs showed acceptable bias and precision, except for Dose(1%) using LSS with the last sample taken on day 3 (LSS 6 and 10). CONCLUSION: Best performing LSSs were LSS with samples taken at days 1, 5, 7, and 8 (N9-GP and rFIXFc) and at days 1, 4, 6, and 8 (rIX-FP), respectively

Novel design of a parallax free Compton enhanced PET scanner

Molecular imaging by PET is a powerful tool in modern clinical practice for cancer diagnosis. Nevertheless, improvements are needed with respect to the spatial resolution and sensitivity of the technique for its application to specific human organs (breast, prostate, brain, etc.), and to small animals. Presently, commercial PET scanners do not detect the depth of interaction of photons in scintillators, which results in a not negligible parallax error. We describe here a novel concept of PET scanner design that provides full three-dimensional (3D) gamma reconstruction with high spatial resolution over the total detector volume, free of parallax errors. It uses matrices of long scintillators read at both ends by hybrid photon detectors. This so-called 3D axial concept also enhances the gamma detection efficiency since it allows one to reconstruct a significant fraction of Compton scattered events. In this note, we describe the concept, a possible design and the expected performance of this new PET device. We also report about first characterization measurements of 10 cm long YAP:Ce scintillation crystals. r 2004 Elsevier B.V. All rights reserved

Implementing multi-session learning studies out of the lab: Tips and tricks using OpenSesame

Here, we provide tips and tricks for running multisession experiments out of the lab using OpenSesame, a user-friendly experimental tool that is open source and runs on Windows, MacOS, and Linux. We focus on learning experiments that involve the measurement of reaction times. We show how such experiments can be run with traditional desktop-based experiment software on participants’ own notebooks (i.e., out-of-the-lab, but not in a browser). Learning experiments pose specific challenges: accessing individual identifying numbers, accessing session numbers, and counterbalancing conditions across participants. This article includes helpful code and provides hands-on implementation tips that will be useful also beyond the presented use case. The aim of this article is to illustrate how to create multisession learning experiments even with little technical expertise. We conclude that, if done right, out-of-the-lab experiments are a valid alternative to traditional lab testing

A segmented Hybrid Photon Detector with integrated auto-triggering front-end electronics for a PET scanner

We describe the design, fabrication and test results of a segmented Hybrid Photon Detector with integrated auto-triggering front-end electronics. Both the photodetector and its VLSI readout electronics are custom designed and have been tailored to the requirements of a recently proposed novel geometrical concept of a Positron Emission Tomograph. Emphasis is put on the PET specific features of the device. The detector has been fabricated in the photocathode facility at CERN

Novel geometrical concept of a high-performance brain PET scanner. Principle, design and performance estimates

We present the principle, a possible implementation and performance estimates of a novel geometrical concept for a high-resolution positron emission tomograph. The concept, which can be for example implemented in a brain PET device, promises to lead to an essentially parallax-free 3D image reconstruction with excellent spatial resolution and constrast, uniform over the complete field of view. The key components are matrices of long axially oriented scintillator crystals which are read out at both extremities by segmented Hybrid Photon Detectors. We discuss the relevant design considerations for a 3D axial PET camera module, motivate parameter and material choices, and estimate its performance in terms of spatial and energy resolution. We support these estimates by Monte Carlo simulations and in some cases by first experimental results. From the performance of a camera module, we extrapolate to the reconstruction resolution of a 3D axial PET scanner in a semi-analytical way and compare it to an existing state-of-the art brain PET device. We finally describe a dedicated data acquisition system, capable to fully exploit the advantages of the proposed concept. We conclude that the proposed 3D axial concept and the discussed implementation is a competitive approach for high-resolution brain PET. Excellent energy resolution and Compton enhanced sensitivity are expected to lead to high-quality reconstruction and reduced scanning times