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Kinetics

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Toward High-Throughput Predictive Modeling of Protein Binding/Unbinding Kinetics.

Journal of chemical information and modeling
One of the unaddressed challenges in drug discovery is that drug potency determined in vitro is not a reliable indicator of drug activity in vivo. Accumulated evidence suggests that in vivo activity is more strongly correlated with the binding/unbind...

Toxicity of titanium dioxide nanoparticles on Pseudomonas putida.

Water research
The increasing use of engineered nanoparticles (NPs) in industrial and household applications will very likely lead to the release of such materials into the environment. As wastewater treatment plants (WWTPs) are usually the last barrier before the ...

A "Turn-on-off-on" fluorescence switch based on quantum dots and gold nanoparticles for discriminative detection of ovotransferrin.

Talanta
A novel strategy for ovotransferrin (OVT) detection by tracing the "on-off-on" fluorescence signals of quantum dots (QDs) and gold nanoparticles (AuNPs) utilizing fluorescence measurements were established in this article. The immune interaction betw...

Application of an Artificial Neural Network to the Prediction of OH Radical Reaction Rate Constants for Evaluating Global Warming Potential.

The journal of physical chemistry. B
Rate constants for reactions of chemical compounds with hydroxyl radical are a key quantity used in evaluating the global warming potential of a substance. Experimental determination of these rate constants is essential, but it can also be difficult ...

Kinetics and avidity of anti-Toxocara antibodies (IgG) in rabbits experimentally infected with Toxocara canis.

Revista brasileira de parasitologia veterinaria = Brazilian journal of veterinary parasitology : Orgao Oficial do Colegio Brasileiro de Parasitologia Veterinaria
An evaluation was made of the kinetics and avidity of anti-Toxocara antibodies (IgG) in rabbits experimentally infected with embryonated Toxocara canis eggs. Seventeen four month old New Zealand White rabbits were distributed into two groups. In the ...

Bifunctional composite from spent "Cyprus coffee" for tetracycline removal and phenol degradation: Solar-Fenton process and artificial neural network.

International journal of biological macromolecules
Removals of tetracycline and photocatalytic degradation of phenol by Fe3O4/coffee residue (MCC) were investigated. Brunauer-Emmett-Teller (BET), vibrating sample magnetometer (VSM) and Boehm titration were employed to characterize MCC. Artificial neu...

Spectroscopic determination of the photodegradation of monovarietal extra virgin olive oils and their binary mixtures through intelligent systems.

Talanta
A common phenomenon that takes place in bottled extra virgin olive oil (EVOO) is the photooxidation of its pigments, especially chlorophyll, which acts as a singlet-oxygen sensitizer. This translates into a severe decrease of quality, potentially lea...

Joint Toxicity of Lead, Chromium, Cobalt and Nickel to Photobacterium phosphoreum at No Observed Effect Concentration.

Bulletin of environmental contamination and toxicology
Joint toxicity of Pb2+, Cr3+, Co2+ and Ni2+ toward Photobacterium phosphoreum (Ph. phosphoreum) at the no observed effect concentration (NOEC) was determined through a factorial experiment. A neural network model was designed according to experimenta...

Optimization of controlled release nanoparticle formulation of verapamil hydrochloride using artificial neural networks with genetic algorithm and response surface methodology.

European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V
This study was performed to optimize the formulation of polymer-lipid hybrid nanoparticles (PLN) for the delivery of an ionic water-soluble drug, verapamil hydrochloride (VRP) and to investigate the roles of formulation factors. Modeling and optimiza...

Learning the inverse kinetics of an octopus-like manipulator in three-dimensional space.

Bioinspiration & biomimetics
This work addresses the inverse kinematics problem of a bioinspired octopus-like manipulator moving in three-dimensional space. The bioinspired manipulator has a conical soft structure that confers the ability of twirling around objects as a real oct...