Chemistry as a central science is facing a steadily increasing demand for new chemical entities (NCE). Innovative solutions, in all kinds of disciplines that depend on chemistry, require new molecules with specific properties, and their societal consequences are fundamental and pioneering. However, NCE not only demand a realistic structural space but also their feasibility poses challenges to s...

The success of a groundwater contaminant transport model is dependent on: 1) how well the relevant physical, chemical, and microbiological processes controlling subsurface transport are represented with mathematical equations and their parameters, and 2) how accurately and efficiently the equations are solved. For reactive, multicomponent problems in two or more dimensions, the computational bu...

This research tested a multicomponent self-help manual that contained nicotine fading and some behavioral techniques. It also evaluated the incremental effects of using higher amounts of therapist contact on quitting rates. 114 smokers were randomly assigned to one of four treatment groups: (1) A 10-session multicomponent program (n = 25); (2) a 5-session multicomponent program (n = 31); (3) a ...

The ability to accurately predict the consequences of hazardous fluid release is dependent on three things: the knowledge of the modeler, the quality of the model that is used, and the quality of the input parameters. One of the most difficult problems in consequence modeling is the prediction of post-release multiphase behavior, especially when a multicomponent mixture is involved. Releases fr...

Multicomponent seismic images are composed of different combinations of downgoing and upgoing wavefields. Each wave mode has different propagation velocity and polarization direction and thus carries unique, direction-dependent information about the subsurface. Differences in propagation velocity cause events in convertedor shear-wave images to appear at later times than the compressional-wave ...

eggshell was found to be a versatile heterogeneous catalyst for the synthesis of pyrano[3,2-c]quinoline derivatives in good yields. this protocol has the advantages of environmental friendliness, short reaction time, low cost and convenient operation.

Novel scaffolds are of uttermost importance for the discovery of functional material. Three different heterocyclic scaffolds easily accessible from isocyanoacetaldehyde dimethylacetal 1 by multicomponent reaction (MCR) are described. They can be efficiently synthesized by a Ugi tetrazole multicomponent reaction of 1. We discuss the synthesis, 3D structures, and other physicochemical properties.

We present a simple method for the solution of one-component and multicomponent hydrodynamic equations based on the NewtonRaphson method. We show that this method can be used for the solution of stationary hydrodynamic equations. This method has been used for the calculation of the low density stellar wind models for which the multicomponent nature of the wind influences the overall wind struct...

A heterogeneous supramolecular catalytic system for multicomponent aldol-'click' reactions is reported. The copper(I) metallohydrogel functionalized with a phenyltriazole fragment was able to catalyze the multicomponent reaction between phenylacetylene, p-nitrobenzaldehyde, and an azide containing a ketone moiety, obtaining the corresponding aldol products in good yields. A possible mechanistic...