pH-Sensitive C–ON Bond Homolysis of Alkoxyamines of Imidazoline Series: A Theoretical Study

2014 ◽  
Vol 118 (20) ◽  
pp. 5542-5550 ◽  
Author(s):  
Dmitriy A. Parkhomenko ◽  
Mariya V. Edeleva ◽  
Vitaly G. Kiselev ◽  
Elena G. Bagryanskaya
Keyword(s):  
Theoretical Study ◽  
Ph Sensitive ◽  
Bond Homolysis

pH-Sensitive C–ON Bond Homolysis of Alkoxyamines of Imidazoline Series with Multiple Ionizable Groups As an Approach for Control of Nitroxide Mediated Polymerization

2011 ◽  
Vol 76 (14) ◽  
pp. 5558-5573 ◽  
Author(s):  
Mariya V. Edeleva ◽  
Igor A. Kirilyuk ◽  
Irina F. Zhurko ◽  
Dmitry A. Parkhomenko ◽  
Yuri P. Tsentalovich ◽  
...  
Keyword(s):  
Ph Sensitive ◽  
Bond Homolysis ◽  
Nitroxide Mediated Polymerization ◽  
Ionizable Groups

The thermal isomerization of bicyclic oxazines into epoxyepimines. A preliminary theoretical study

1990 ◽  
Vol 68 (9) ◽  
pp. 1625-1628 ◽  
Author(s):  
Michel Sana ◽  
Georges Leroy ◽  
Jean-Luc Vaerman ◽  
Heinz Gunter Viehe
Keyword(s):  
Substituent Effect ◽  
Theoretical Study ◽  
Thermal Isomerization ◽  
Model Systems ◽  
Rate Determining Step ◽  
Bond Homolysis

The thermal isomerization of bicyclic oxazines 1 to epoxyepimines 2 depends on the N-substituent. BDE calculations on model systems agree with the mechanistic picture. The rate-determining step in N—O bond homolysis is facilitated by N-vinyl substituents. Keywords: oxazines, BDE, NO bond, substituent effect.

High quantum yield and pH sensitive fluorescence dyes based on coumarin derivatives: fluorescence characteristics and theoretical study

RSC Advances ◽  
2016 ◽  
Vol 6 (54) ◽  
pp. 49221-49227 ◽  
Author(s):  
Chao-jun Hua ◽  
Kan Zhang ◽  
Ming Xin ◽  
Ting Ying ◽  
Jian-rong Gao ◽  
...  
Keyword(s):  
Quantum Yield ◽  
Theoretical Study ◽  
Ph Sensitive ◽  
Coumarin Derivatives ◽  
High Quantum Yield ◽  
One Pot ◽  
High Quantum ◽  
Fluorescence Characteristics ◽  
Three Component Reaction ◽  
Fluorescence Dyes

The fluorescence coumarin derivatives were synthesized by an efficient one-pot, three-component reaction in 80–90% yields.

Zn capped Al2O3 and TiO2 nanoporous arrays as pH sensitive drug delivery systems: a combined experimental and simulation study

2020 ◽  
Vol 44 (38) ◽  
pp. 16602-16612
Author(s):  
Rokhsareh Khodabandeh ◽  
Fatemeh Mohammadpour ◽  
Amin Reza Zolghadr ◽  
Axel Klein
Keyword(s):  
Drug Delivery ◽  
Vitamin C ◽  
Simulation Study ◽  
Drug Delivery Systems ◽  
Theoretical Study ◽  
Md Simulations ◽  
Delivery Systems ◽  
Ph Sensitive ◽  
Nanotube Arrays

pH sensitive nanotube arrays based on Zn capped Al2O3 and TiO2 were reported for the release of vitamin C in an experimental/theoretical study using MD simulations.

Adsorption of H2O and H2S on the (100) surface of silicon. A theoretical study

1987 ◽  
Vol 84 ◽  
pp. 799-803 ◽  
Author(s):  
Vincenzo Barone ◽  
Francesco Lelj ◽  
Nino Russo ◽  
Marirosa Toscano
Keyword(s):  
Theoretical Study
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