Zobrazeno 1 - 10
of 460
pro vyhledávání: '"A. J. Ravi"'
We demonstrate the use of multiscale polymer modelling to quantitatively predict DNA linear dichroism (LD) in shear flow. LD is the difference in absorption of light polarised along two perpendicular axes, and has long been applied to study biopolyme
Externí odkaz:
http://arxiv.org/abs/2404.00160
Publikováno v:
Soft Matter, 20, 993-1008, 2024
The static and dynamic properties of dendrimers in semidilute solutions of linear chains of comparable size are investigated using Brownian dynamics simulations. The radius of gyration and diffusivity of a wide variety of low generation dendrimers an
Externí odkaz:
http://arxiv.org/abs/2309.04290
Publikováno v:
IUCrData, Vol 2, Iss 2, p x170043 (2017)
In the molecule of the title compound, C23H19NO3, the mean plane of the methoxyphenyl ring makes dihedral angles of 51.63 (8) and 50.86 (8)° with the terminal phenyl rings. An intramolecular N—H...O hydrogen bond occurs. The crystal structure feat
Externí odkaz:
https://doaj.org/article/92a47525fa6449229985c35b38b62af3
Publikováno v:
IUCrData, Vol 2, Iss 1, p x162047 (2017)
In the title compound, C17H12Cl2O2S, the benzene rings are inclined to one another by 84.59 (16)°. The enaminone group is present in a synclinal conformation with respect to the chlorobenzene moiety. The configuration of the C=C bond is Z. There is
Externí odkaz:
https://doaj.org/article/df5fff637e8f490aa34d219d6e46738a
Publikováno v:
IUCrData, Vol 1, Iss 12, p x161994 (2016)
In the title compound, C16H14ClNOS, the dihedral angle between the aromatic rings is 86.34 (9)° and an intramolecular N—H...O hydrogen bond closes an S(6) ring. The methylsulfanyl group and Cl atom lie to the same side of the molecule. In the crys
Externí odkaz:
https://doaj.org/article/ce348eb852144893813c6cf42572df53
Publikováno v:
Macromolecules, 57, 9, 4220-4235, 2024
Solutions of polymer chains are modelled using non-equilibrium Brownian dynamics simulations, with physically associative beads which form reversible crosslinks to establish a system-spanning physical gel network. Rheological properties such as the z
Externí odkaz:
http://arxiv.org/abs/2302.13623
Publikováno v:
IUCrData, Vol 1, Iss 2, p x160169 (2016)
In the title compound, C17H19NO3S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.080 (2) Å, and the morpholine ring adopts a chair conformation. The bond-angle sum at the N atom is 358°. The coumarin unit makes dihedr
Externí odkaz:
https://doaj.org/article/8deab30746a64c5d9793a01f588d13f6
Publikováno v:
IUCrData, Vol 1, Iss 2, p x160171 (2016)
In the title compound, C18H21NO2S2, the 2H-chromene ring systems is nearly planar, with a maximum deviation of 0.023 (2) Å. The coumarin unit makes a dihedral angle of 60.54 (8)° with the piperidine ring, which adopts a chair conformation. The carb
Externí odkaz:
https://doaj.org/article/f9217a006ec747108d46ba06ab6cd0bd
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 12, Pp o930-o930 (2015)
In the title compound, C13H8BrClOS, the thienyl ring is not coplanar with the benzene ring, their planes forming a dihedral angle of 13.2 (4)°. In the crystal, molecules stack along the a axis, with the interplanar separation between thienyl rings a
Externí odkaz:
https://doaj.org/article/e459a83a95784df7bfcbe87f02e3c88f
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 7, Pp o492-o493 (2015)
In the title compound, C18H15NO3, the isoxazole moiety adopts a shallow envelope conformation, with the C atom bearing the OH group displaced by 0.148 (1) Å from the mean plane through the other four atoms. The mean plane of this ring (all atoms) su
Externí odkaz:
https://doaj.org/article/37b226ab6a684c7b808f0ec9b3cc6dda