Zobrazeno 1 - 10
of 39
pro vyhledávání: '"Glenn V. Lo"'
Publikováno v:
Materials, Vol 12, Iss 22, p 3767 (2019)
Material Point Method (MPM) mesoscale simulation was used to study the constitutive relation of a polymer bonded explosive (PBX) consisting of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and a fluorine polymer binder F2314. The stress-strain variatio
Externí odkaz:
https://doaj.org/article/559f7a7a2df34266b7bc0dede55b20fa
Publikováno v:
Molecules, Vol 23, Iss 7, p 1593 (2018)
A deactivation channel for laser-excited 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) was studied by semiclassical dynamics. Results indicate that the excited state resulting from an electronic transition from the highest occupied molecular orbital (H
Externí odkaz:
https://doaj.org/article/888744c7b9bd4c3c87e2580460c265f4
Publikováno v:
International Journal of Photoenergy, Vol 2014 (2014)
The deactivation of π-stacked cytosine molecules following excitation by ultrashort laser pulses was studied using semiclassical dynamics simulations. Another deactivation channel was found to compete with a previously reported path that led to dime
Externí odkaz:
https://doaj.org/article/69a8e93d9510411284755a3f0b22bc75
Publikováno v:
International Journal of Photoenergy, Vol 2014 (2014)
The [2 + 2] photocycloaddition reaction of benzene and ethylene was investigated by semiclassical dynamics simulation and complete active space self-consistent field (CASSCF) ab initio calculations. Following laser excitation of the benzene molecule,
Externí odkaz:
https://doaj.org/article/8e637a8a9de14820a31592f1de7664a7
Publikováno v:
International Journal of Photoenergy, Vol 2014 (2014)
The response to ultrashort laser pulses of two stacked benzene molecules has been studied by semiclassical dynamics simulation; two typical pathways were found following excitation of one of the benzene molecules by a 25 fs (FWHM), 4.7 eV photon. Wit
Externí odkaz:
https://doaj.org/article/c31666c5cbed45eca5ce96db85f242dc
Publikováno v:
Processes
Volume 11
Issue 2
Pages: 510
Volume 11
Issue 2
Pages: 510
Guillardia theta anion channelrhodopsin 1 (GtACR1) is a widely used inhibitor of optogenetics with unique conductance mechanisms and photochemistry. However, the molecular mechanism of light-gated anion conduction is poorly understood without a cryst
Autor:
Qi Xin, Jie Cheng, Hongwei Wang, Wenying Zhang, Hong Lu, Junpeng Zhou, Glenn V. Lo, Yusheng Dou, Shuai Yuan
Publikováno v:
RSC Advances. 12:6515-6524
Modelling the syn-cycle is a series of operations on the ChR2 crystal structure (PDB ID: 6EID). By replacement and isomerization, we obtained P500* and P480 intermediates. A feasible explanation that no P390* was observed in experiment was inferred.
Publikováno v:
Journal of chemical information and modeling. 62(24)
The dissociation of the transthyretin (TTR) tetramer into a monomer is closely related to various TTR amyloidoses in humans. While the tetramer dissociation has been reported to be the rate-limiting step for TTR aggregation, few details are known abo
Publikováno v:
ACS Chemical Neuroscience. 11:3025-3035
Amyloid transthyretin (ATTR) amyloidosis is a widespread and fatal systemic amyloidosis characterized by the misfolding and amyloid aggregation of transthyretin (TTR). Studies suggest that dissociation of the TTR tetramer is the key step for its misf
Autor:
Qi, Xin, Jie, Cheng, Hongwei, Wang, Wenying, Zhang, Hong, Lu, Junpeng, Zhou, Glenn V, Lo, Yusheng, Dou, Shuai, Yuan
Publikováno v:
RSC advances. 12(11)
The ion channel of channelrhodopsin-2 (ChR2) is activated by absorbing light. The light stimulates retinal to isomerize to start the photocycle. There are two pathways for photocycles, which are caused by isomerization of the retinal from all