The quantitative structure–property relationship (QSPR) method is used to develop the correlation between structures of crude oil hydrocarbons (80 compounds) and their boiling point and water solubility. Sub-structural molecular fragments (SMF) calculated from structure alone were used to represent molecular structures. A subset of the calculated fragments selected using stepwise regression (fo...

The deterministic behaviour of a sequential self-assembling system may be expressed in the form of an algorithm that predicts the products of self-assembly at any ratio of input subcomponents.

It is shown that the Hamiltonian structure of the shallow water equations is, in a precise sense, the limit of the Hamiltonian structure for that of a three-dimensional ideal fluid with a free boundary problem as the fluid thickness tends to zero. The procedure fits into an emerging general scheme of convergence of Hamiltonian structures as parameters tend to special values. The main technical ...

2014 The convective properties of a water layer near 4 °C have been examined by means of local velocity measurements. The non linear density profile of such a layer produces qualitatively different behaviour from that observed in « Boussinesq » fluids. In particular a hexagonal dissipative structure is observed corresponding to an abnormal bifurcation near the threshold ; at higher Rayleigh num...

We report investigations on the properties of nanoenvironments around single-GFP-mut2 proteins in trehalose-water matrixes. Single-GFPmut2 molecules embedded in thin trehalose-water films were characterized in terms of their fluorescence brightness, bleaching dynamics, excited state lifetime, and fluorescence polarization. For each property, sets of approximately 100-150 single molecules have b...

An investigation is made into water-wave propagation through a doubly-periodic array of vertical cylinders extending to infinity in both horizontal directions. Methods are presented for the calculation of the frequency ranges for which wave propagation without change of amplitude is possible (‘passing bands’), and for which propagation without change of amplitude is not possible (‘stopping band...

Trapped modes in the linearized water-wave problem are free oscillations of finite energy in an unbounded fluid with a free surface. It has been known for some time that such modes are supported by certain structures when held fixed, but recently it has been demonstrated that in two dimensions trapped modes are also possible for freely-floating structures that are able to respond to the hydrody...

in cylindrical polar coordinates is derived. This is followed by a review of the current knowledge on analytical theories and numerical treatments of nonlinear diffraction of water waves by offshore cylindrical structures. A brief discussion is made on water waves incident on a circular harbor with a narrow gap. Special emphasis is given to the resonance phenomenon associated with this problem....