Search results for "molecule"
showing 10 items of 5162 documents
Monolayers of Amphiphilic Molecules
1992
There are good reasons why the organizers have placed this lecture at the beginning of a conference on the multip1e aspects of membranes. In many respects the monolayer may be considered half of a membrane and it obviously is the most simple and best-defined model system. Yet we will show that the system is more complex than many have anticipated. On the other hand, there are many general features which can be discussed without looking into chemical details.
Optical and amplified spontaneous emission of neat films containing 2-cyanoacetic derivatives
2018
During the last two decades, small organic molecules have been widely studied for potential applications in organic solid-state lasers due to low-cost production, simple processing possibility and physical property tuning ability through chemical structure synthetic modifications. One of the most investigated and applied compound in dye lasers is 4- (dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran (DCM). It has shown remarkable properties as a dye in solid-state lasers. One of the drawbacks of this compound is high intermolecular interactions which reduce emission efficiency. Therefore it can be applied only in doped systems in low concentration (around 2 wt%). Recently we hav…
A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory
2009
A modified ansatz for explicitly correlated coupled-cluster wave functions with a single correlation factor is set forward. It is based on the fixed amplitude ansatz of Ten-no [Chem. Phys. Lett. 398, 56 (2004)] to which an extra term is added that allows for the explicitly correlated description of singly excited configurations. The new approach has been implemented for coupled-cluster singles and doubles with the aid of automated techniques. Numerical results are presented for vertical excitation energies, and ground and excited state equilibrium distances and harmonic frequencies of diatomics. The new approach is shown to provide a nearly unbiased description of ground and predominantly s…
Design and synthesis of new trehalose-conjugated pentapeptides as inhibitors of Aβ(1-42) fibrillogenesis and toxicity
2009
Aggregation of the amyloid A? peptide and its accumulation into insoluble deposits (plaques) are believed to be the main cause of neuronal dysfunction associated with Alzheimer's disease (AD); small molecules that can interfere with the A? amyloid fibril formation are therefore of interest for a potential therapeutic strategy. Three new trehalose-conjugated peptides of the well known ?-sheet breaker peptide iA?5p,were synthesized. The disaccharide was covalently attached to different sites of the LPFFD peptide chain, i.e. at the N-terminus, C-terminus or at the Asp side chain. CD spectroscopy in different solvents was used to assess changes in the peptide conformation of these compounds. Th…
The Boson Peak of Amyloid Fibrils: Probing the Softness of Protein Aggregates by Inelastic Neutron Scattering
2014
Proteins and polypeptides are characterized by low-frequency vibrations in the terahertz regime responsible for the so-called "boson peak". The shape and position of this peak are related to the mechanical properties of peptide chains. Amyloid fibrils are ordered macromolecular assemblies, spontaneously formed in nature, characterized by unique biological and nanomechanical properties. In this work, we investigate the effects of the amyloid state and its polymorphism on the boson peak. We used inelastic neutron scattering to probe low-frequency vibrations of the glucagon polypeptide in the native state and in two different amyloid morphologies in both dry and hydrated sample states. The dat…
Affinity Sensors for the Diagnosis of COVID-19
2021
The coronavirus disease 2019 (COVID-19) outbreak caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was proclaimed a global pandemic in March 2020. Reducing the dissemination rate, in particular by tracking the infected people and their contacts, is the main instrument against infection spreading. Therefore, the creation and implementation of fast, reliable and responsive methods suitable for the diagnosis of COVID-19 are required. These needs can be fulfilled using affinity sensors, which differ in applied detection methods and markers that are generating analytical signals. Recently, nucleic acid hybridization, antigen-antibody interaction, and change of reactive oxyge…
Selection and characterization of adsorbents for the analysis of an explosive-related molecule traces in the air
2013
International audience; This study is focused on the development of a 3D micro-preconcentrator for a sensitive analysis of an explosive-related compound: orthonitrotoluene (ONT). A set of potentially efficient adsorbents for the pre-concentration of ONT was investigated here. An in-depth characterization of their textural properties was carried out in order to better understand their adsorption behavior toward the target analyte. More particularly, this study allowed highlighting the interesting adsorption features of a hydrophobic zeolite and a porous activated carbon in relation to their preconcentration performances toward ONT at the ppb level. Moreover, we found a difference in the adso…
Inkjet printing Ag nanoparticles for SERS hot spots
2018
A novel inkjet printing based approach is developed for the fabrication of a customizable platform on glass substrates allowing for surface enhanced Raman spectroscopy (SERS) detection of analytes up to single hot spots generated by the spontaneous aggregation of Ag nanoparticles (Ag NPs) in pL scale droplets. After drying the printed droplets under ambient conditions, trace amounts of the analyte can be detected by SERS given the proximity to NP hot spots. By employing alizarin (10-5M) as a model system and scaling the ink droplet volume from 1 nL to 10 pL, the absolute quantity of hot spots has been derived in the printed droplets allowing detecting up to a few molecules in proximity to i…
Prediction of the chemiluminescent behavior of pharmaceuticals and pesticides.
2001
The present paper deals with the first attempt to apply molecular connectivity calculations to predict a chemical property with analytical usefulness: the chemiluminescent behavior of substances when reacted with common oxidants in a liquid phase. Preliminary evidence when searching for new direct CL methods consisted of the examination of analyte reaction with a wide range of oxidants and media. This task, which results in time-consuming and trial-and-error expensive procedures, is necessary due to ensure empirical or theoretical rules for CL prediction are available. On the other hand, in quantitative structure-activity relationship studies, molecular connectivity is a topological method …
Tips on ligand immobilization and kinetic study using surface plasmon resonance.
2016
Surface plasmon resonance (SPR) technique offers a robust label-free approach applicable in various investigations including binding affinity, specificity and kinetics of biological macromolecules (e.g., peptides, proteins and nucleotidase) and small molecules. SPR provides extremely important data on the kinetics and affinity of substances examined, through which bio-specific interaction(s) can be established by the analysis of adsorption of analyte onto the immobilized ligand(s) on a sensor-based analytical system. Due to SPR wide applications in biomedical laboratories, the aim of this editorial is to highlight the importance of SPR in affinity kinetics and ligand immobilization.