Phase behavior of hard cylinders.

J Chem Phys

Dipartimento di Scienze Molecolari e Nanosistemi, Università Ca' Foscari Venezia Campus Scientifico, Edificio Alfa, via Torino 155, 30170 Venezia Mestre, Italy.

Published: March 2021

Using isobaric Monte Carlo simulations, we map out the entire phase diagram of a system of hard cylindrical particles of length (L) and diameter (D) using an improved algorithm to identify the overlap condition between two cylinders. Both the prolate L/D > 1 and the oblate L/D < 1 phase diagrams are reported with no solution of continuity. In the prolate L/D > 1 case, we find intermediate nematic N and smectic SmA phases in addition to a low density isotropic I and a high density crystal X phase with I-N-SmA and I-SmA-X triple points. An apparent columnar phase C is shown to be metastable, as in the case of spherocylinders. In the oblate L/D < 1 case, we find stable intermediate cubatic (Cub), nematic (N), and columnar (C) phases with I-N-Cub, N-Cub-C, and I-Cub-C triple points. Comparison with previous numerical and analytical studies is discussed. The present study, accounting for the explicit cylindrical shape, paves the way to more sophisticated models with important biological applications, such as viruses and nucleosomes.

Download full-text PDF

Source
http://dx.doi.org/10.1063/5.0040942DOI Listing

Publication Analysis

Top Keywords

prolate l/d
8
oblate l/d
8
l/d case
8
case find
8
triple points
8
phase
5
phase behavior
4
behavior hard
4
hard cylinders
4
cylinders isobaric
4

Similar Publications

Objective: Excessively prescribed opioids promote chronic drug abuse and worsen a highly prevalent public health problem in the era of the opioid epidemic. This study aimed to (a) determine general analgesic prescription patterns after surgery for vestibular schwannoma (VS) with a focus on opioid prescription rates, (b) identify risk factors for receiving narcotics for postoperative pain management, and (c) highlight the feasibility of opioid-free analgesic treatment strategies.

Study Design: Retrospective chart review.

View Article and Find Full Text PDF
Article Synopsis
  • Hyaluronan (HA) is an important molecule involved in various biological processes and has implications in health and disease, such as tissue hydration and tumor growth.
  • Traditional methods for measuring HA often lack sensitivity and specificity, particularly for lower molecular weights, which limits their effectiveness.
  • This study presents a new method using LC-MS/MS, capable of detecting HA at very low levels and successfully applied it to analyze HA levels in mouse tissues, showing significant changes in response to liver injury.
View Article and Find Full Text PDF

Ultramicronized N-palmitoylethanolamine associated with analgesics: Effects against persistent pain.

Pharmacol Ther

June 2024

Department of Neuroscience, Psychology, Drug Research and Child Health - NEUROFARBA - Pharmacology and Toxicology Section, University of Florence, Florence, Italy. Electronic address:

Current epidemiological data estimate that one in five people suffers from chronic pain with considerable impairment of health-related quality of life. The pharmacological treatment is based on first- and second-line analgesic drugs, including COX-2 selective and nonselective nonsteroidal anti-inflammatory drugs, paracetamol, antidepressants, anti-seizure drugs and opioids, that are characterized by important side effects. N-palmitoylethanolamine (PEA) is a body's own fatty-acid ethanolamide belonging to the family of autacoid local injury antagonist amides.

View Article and Find Full Text PDF

The unprecedented recent expansion in usage of paracetamol (AAP) has increased the need for suitable wastewater treatment technology. Furthermore, direct interspecies electron transfer promotion (DIET) offers simple and efficient approach for enhancing anaerobic digestion (AD). In this work, using AAP-containing domestic wastewater as feed, control AD reactor (RC) was operated, besides three DIET-promoted AD reactors (REV, RMC and REVMC, referring to electrical voltage "EV"-applied, nFeO-multiwall carbon nanotube (MCNT)-supplemented, and "EV applied + MCNT supplemented" reactor, respectively).

View Article and Find Full Text PDF

Effects of Ultramicronized -Palmitoylethanolamine Supplementation on Tramadol and Oxycodone Analgesia and Tolerance Prevention.

Pharmaceutics

February 2022

Department of Neuroscience, Psychology, Drug Research and Child Health-Neurofarba-Pharmacology and Toxicology Section, University of Florence, 50139 Florence, Italy.

Chronic pain management requires increasing doses of opioids, the milestone of painkillers, which may result in the onset of tolerance with exacerbated side effects. Maintaining stable analgesia with low doses of opioids is thus imperative. -palmitoylethanolamine (PEA) is an endogenous lipid compound endowed with pain-relieving as well as anti-inflammatory properties.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!