Search results for " Coating."
showing 10 items of 2558 documents
Charge Transfer Transitions in Neutral and Ionic Polypeptides: A Theoretical Study
2001
We report on the vertical electronic excitation spectra of neutral polypeptides and their radical ions. Model systems including tri-, tetra-, and octamers in an α-helix and β-sheet alike conformation are studied by various computational methods. The results allow us to assign the band centered at about 7.5 eV in the absoption spectra of proteins to charge transfer states. The calculations also support conclusions from recent experiments which propose charge transfer as a possible mechanism for photoinduced electron transfer in polypeptide cations.
Application of Grote-Hynes theory to the reaction catalyzed by thymidylate synthase.
2010
A theoretical study of dynamic effects on the rate-limiting step of the thymidylate synthase catalyzed reaction has been carried out by means of Grote-Hynes theory, successfully predicting the values of the recrossing effects for a chemical reaction that involves the transfer of a classical light particle. The transmission coefficients, obtained at 278, 293, 303, and 313 K, are almost invariant and in all cases far from unity, revealing a significant coupling of the environment motions and the reaction coordinate. Nevertheless, their energetic contribution to the activation free energy represents less than 0.50 kcal/mol for each of the four tested temperatures. Calculation of the transmissi…
Detection and discrimination of organophosphorus pesticides in water by using a colorimetric probe array
2014
[EN] Detection and discrimination of several organophosphorus pesticides in water using a colorimetric probe array containing twelve dyes has been achieved. A clear discrimination for malathion, leptophos, dichlorvos, dibrom and diazinon was observed. The array was used to determine the concentration of diazinon in orange leaves
Dehydrochlorination of Hexachlorocyclohexanes Catalyzed by the LinA Dehydrohalogenase. A QM/MM Study
2015
The elucidation of the catalytic role of LinA dehydrohalogenase in the degradation processes of hexachlorocyclohexane (HCH) isomers is extremely important to further studies on the bioremediation of HCH polluted areas. Herein, QM/MM free energy simulations are employed to provide the details of the dehydrochlorination reaction of two HCH isomers (γ and β). In particular, the role of the protonation state of one of the catalytic residues-His73-is explored. Based on our calculations, two distinct minimum free energy pathways (concerted and stepwise) were found for γ-HCH and β-HCH. The choice of the reaction channel for the dehydrochlorination reactions of γ- and β-HCH was shown to depend on t…
Effect of calcium dips and chitosan coatings on postharvest life of strawberries (Fragaria x ananassa)
2006
Strawberries (Fragaria x ananassa Duch.) were treated either with 1% calcium gluconate dips, 1.5% chitosan coatings or with a coating formulation containing 1.5% chitosan + 1% calcium gluconate and stored at 20 °C for up to 4 days. The effectiveness of the treatments was assessed by evaluating their impact on the following parameters: fungal decay incidence, loss of weight, firmness, external color, pH, titratable acidity and soluble solids content. Calcium dips were effective in decreasing surface damage and delaying both fungal decay and loss of firmness compared to untreated fruit. No sign of fungal decay was observed in fruit coated with 1.5% chitosan which also reduced fruit weight los…
Bis-urea macrocycles with a deep cavity.
2015
Two configurational isomers of bis-urea macrocycles have been synthesized, and their neutral molecule recognition was studied by X-ray crystallography and (1)H NMR experiments. Cooperative action between the deep cavity and the urea groups and the influence of dipole alignments on molecular recognition are discussed.
Pseudo-Planar Organic Heterojunctions by Sequential Printing of Quasi-Miscible Inks
2021
This work deals with the interfacial mixing mechanism of picoliter (pL)-scale droplets produced by sequential inkjet printing of organic-based inks onto ITO/PET surfaces at a moderately high Weber number (~101). Differently from solution dispensing processes at a high Bond number such as spin coating, the deposition by inkjet printing is strictly controlled by droplet velocity, ink viscosity, and surface tension. In particular, this study considers the interfacial mixing of droplets containing the most investigated donor/acceptor couple for organic solar cells, i.e., poly(3-hexylthiophene) (P3HT) and (6,6)-phenyl-C61-butyric acid methyl ester (PCBM), showing how low-viscosity and low-surfac…
Potentiation of the cytotoxic activity of copper by polyphosphate on biofilm-producing bacteria: A bioinspired approach
2012
Adhesion and accumulation of organic molecules represent an ecologically and economically massive problem. Adhesion of organic molecules is followed by microorganisms, unicellular organisms and plants together with their secreted soluble and structure-associated byproducts, which damage unprotected surfaces of submerged marine structures, including ship hulls and heat exchangers of power plants. This is termed biofouling. The search for less toxic anti-biofilm strategies has intensified since the ban of efficient and cost-effective anti-fouling paints, enriched with the organotin compound tributyltin, not least because of our finding of the ubiquitous toxic/pro-apoptotic effects displayed b…
Microspectroscopy and spectromicroscopy with photoemission electron microscopy using a new kind of imaging energy filter
2001
The use of an imaging retarding field analyser attached to the FOCUS IS-PEEM is described. This kind of energy filter is a simple, powerful tool to obtain microspectra from areas of down to about 1 μm using (V)UV and X-ray excitation sources. First results of microspectroscopy measured by excitation with a laboratory as well as a synchrotron X-ray source are presented.
Nano-lithography by electron exposure using an Atomic Force Microscope
1999
Abstract We have used a conductive Atomic Force Microscope (AFM) tip to expose a very thin resist film. An exposing current of low energy electrons was induced from the tip to the substrate by applying a small bias voltage. Uniform resist films as thin as 10 nm were fabricated using the Langmuir–Blodgett technique. To orient the defined pattern and to make electrical connections a special larger scale alignment structure was first defined by conventional electron beam lithography, either directly in the Langmuir–Blodgett resist film or in a separate first lift-off process with a thicker resist. The results from the one resist process gave conducting 50 nm lines with a 60 A thick vacuum depo…