1,721,014 research outputs found
Lipid aggregates inducing symmetry breaking in prebiotic polymerizations
Full text linkIt is a long-standing and still open problem to determine the origin of biomolecular
homochirality, and many scenarios have been suggested. Amphiphilic molecules are renowned for
their capability to reorganize themselves in a variety of different morphologies and topologies, and
for their capability to partition chemicals in well defined domains. Here a possible role for amphiphilic
molecules inducing symmetry breaking is suggested in the framework of the research on
origin of life
CURVIS: a program to study and analyze crystallographic structures and phase transitions
No full textThe visualization of scientific data is, nowadays, of extreme importance. Phase transitions, the topology of a crystallographic system, the electron density
distribution inside a lattice or the changes in crystal structure during phase transitions cannot be fully investigated without the help of proper visualization.
The program CURVIS (downloadable free of charge upon request) was developed as a tool for investigating crystal structures and occurring transitions.
In this tool, some features are implemented to analyse, display and manage the three-dimensional structure of crystals and single molecules. More importantly,
CURVIS can generate and handle hyperbolic surfaces in three dimensions, and provide specific routines to perform calculations of curvature and energy of such surfaces. The most important features are (i) file format conversion (with
assignment of the atom types and atomic charges), (ii) surface calculation and (iii) curvature and surface-energy analysis
Synthesis and characterization of new photoluminescent oxadiazole/carbazole-containing polymers
No full textWe report on the synthesis and the characterization of a new class of segmented polyethers POC containing the oxadiazole and
carbazole units. The polymers exhibit a high thermal stability, high glass transition temperatures, and good solubility in common
organic solvents, despite the extended aromatic portion in the main polymer chain. The synthetic procedures are simple, and
no acid side-products are obtained. According to previous reports on oxadiazole/carbazole-containing materials, POCs show
high photoluminescence activity in the blue region of the visible spectra. The good solubility in chlorinate solvents allows the
preparation of films with homogeneous thickness by spin coating. Glass transition temperature in the range 115–125◦C ensures
good stability of film morphology at room temperature. The only exception is POC(6), which shows a poor solubility and higher
Tg (170◦C), due to its shorter aliphatic chain portion. For these features, polymers POC are potential candidate materials for
fabricating blue light-emitting devices
YADAMP: Yet Another Database of Antimicrobial Peptides
No full textThis work presents an antimicrobial peptide database (YADAMP) based on an extensive literature search. This database is focused primarily on bacteria, with detailed information for 2133 peptides active against bacteria. YADAMP was born to facilitate access to critical information on antimicrobial peptides (AMPs). The main difference between YADAMP and other web databases of AMP is the explicit presence of antimicrobial activity against the most common bacterial strains. YADAMP allows complex queries, easily accessible through a web interface. Peptide information can be retrieved based on peptide name, number of amino acids, net charge, hydrophobic percentage, sequence motif, structure and activity against bacteria. YADAMP is suitable for reviewing information on AMP, and for structure–function analyses of peptides. The database can be accessed via a web‐based browser at the URL: http://www.yadamp.unisa.it
Stochastic simulations of homogeneous chemically reacting systems
No full textAn object oriented computational environment for the stochastic simulation of homogeneous chemically reacting systems is presented and its theoretical background discussed. Some simple examples of applications will be presented to validate the code and to clarify the main features of this approach. A WIN32 executable is available for academic purposes upon request to the authors.An object oriented computational environment for the stochastic simulation of homogeneous chemically reacting systems is presented and its theoretical background discussed. Some simple examples of applications will be presented to validate the code and to clarify the main features of this approach. A WIN32 executable is available for academic purposes upon request to the authors
Preface to Advances in Artificial Life, Evolutionary Computation, and Systems Chemistry 11th Italian Workshop, WIVACE 2016, Fisciano, Italy, October 4-6, 2016, Revised Selected Papers
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