Design and synthesis of highly reactive dienophiles for the tetrazine-trans-cyclooctene ligation

Computation was used to design a trans-cyclooctene derivative that displays enhanced reactivity in the tetrazine-trans-cycloctene ligation. The optimized derivative is an (E)-bicyclo[6.1.0]non-4-ene with a cis-ring fusion, in which the eight-membered ring is forced to adopt a highly strained 'half-chair' conformation. Toward 3,6-dipyridyl-s-tetrazine in MeOH at 25 °C, the strained derivative is 19 and 27 times more reactive than the parent trans-cyclooctene and 4E-cyclooct-4-enol, respectively. Toward 3,6-diphenyl-s-tetrazine in MeOH at 25 °C, the strained derivative is 160 times more reactive than the parent trans-cyclooctene.     

Numerical simulations of Z-pinch experiments to create supersonic differentially-rotating plasma flows

The aim of this work is to produce and study a high energy density laboratory plasma relevant to astrophysical accretion disks. To this end, an experimental setup based on a modified cylindrical wire array was devised, which employs a cusp magnetic field to introduce angular momentum into the system. The setup was studied numerically with the three-dimensional, resistive magneto-hydrodynamic code GORGON. Simulations show that a differentially-rotating flow is formed, with typical rotation velocity and Mach number values of 60 km/s and M_φ ～ 5 respectively. The plasma is radiatively cooled and presents a Reynolds number higher than 10⁷. In addition, the magnetic Reynolds number and the plasma β are >1. Such a plasma is of interest for the study of hydrodynamic and magneto-hydrodynamic instabilities, and turbulence generation in differentially-rotating plasma flows.     

Computer extended series solution for unsteady flow in a contracting or expanding pipe

Unsteady flow in a semi-infinite contracting or expanding pipeis reinvestigated using long series analysis. The proposed seriesmethod is useful in analysing the problem for a moderately largeconstant ( = aa/, where a = a(t), the radius of the pipe isa function of time, a(t) is the velocity of the wall, and iskinematic viscosity). For positive values of (expansion ofthe pipe) accuracy of the series representing shear stress andpressure gradient is increased from = 2.89 to = 6.0 by extractingthe singularity followed by completion of the series. For negativevalues of (contraction of the pipe), we revert the series whichresults into the increase of the region of validity of the transposedseries from = -25.0 to = -2.89. Later we use Padé approximantsfor summing them. Also, the asymptotic solution for large valuesof is obtained and it agrees closely with pure numerical valuesof shear stress at the wall and pressure gradient.