Photoswitching of Azobenzene-Based Reverse Micelles above and
at Subzero Temperatures As Studied by NMR and Molecular
Dynamics Simulations

J 2017

Photoswitching of Azobenzene-Based Reverse Micelles above and at Subzero Temperatures As Studied by NMR and Molecular Dynamics Simulations

FILIPOVÁ, Lenka; Miriam KOHAGEN; Peter ŠTACKO; Eva MUCHOVA; Petr SLAVÍČEK et al.

Základní údaje

Originální název

Photoswitching of Azobenzene-Based Reverse Micelles above and at Subzero Temperatures As Studied by NMR and Molecular Dynamics Simulations

Autoři

FILIPOVÁ, Lenka; Miriam KOHAGEN; Peter ŠTACKO; Eva MUCHOVA; Petr SLAVÍČEK a Petr KLÁN

Vydání

Langmuir, WASHINGTON, AMER CHEMICAL SOC, 2017, 0743-7463

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10401 Organic chemistry

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 3.789

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/17:00095284

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

IONIC LIQUIDS; FORCE-FIELD; TRANS ISOMERIZATION; DRUG-DELIVERY; WATER; CRYSTALS; LIGHT; PHOTOISOMERIZATION; VESICLES; SOLVENTS

Štítky

NZ, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 10. 4. 2018 15:29, Ing. Nicole Zrilić

Anotace

V originále

We designed and studied the structure, dynamics, and photochemistry of photoswitchable reverse micelles (RMs) composed of azobenzene-containing ammonium amphiphile 1 and water in chloroform at room and subzero temperatures by NMR spectroscopy and molecular dynamics simulations. The NMR and diffusion coefficient analyses showed that micelles containing either the E or Z configuration of 1 are stable at room temperature. Depending on the water-to-surfactant molar ratio, the size of the RMs remains unchanged or is slightly reduced because of the partial loss of water from the micellar cores upon extensive E -> Z or Z -> E photoisomerization of the azobenzene group in 1. Upon freezing at 253 or 233 K, E-1 RMs partially precipitate from the solution but are redissolved upon warming whereas Z-1 RMs remain fully dissolved at all temperatures. Light-induced isomerization of 1 at low temperatures does not lead to the disintegration of RMs remaining in the solution; however, its scope is influenced by a precipitation process. To obtain a deeper molecular view of RMs, their structure was characterized by MD simulations. It is shown that RMs allow for amphiphile isomerization without causing any immediate significant structural changes in the micelles.

Návaznosti

GA15-12386S, projekt VaV

Název: Dynamika a (foto)chemie polutantů na rozhraních led/vzduch a voda/vzduch z experimentu i teorie

Investor: Grantová agentura ČR, Dynamika a (foto)chemie polutantů na rozhraních led/vzduch a voda/vzduch z experimentu i teorie

LM2015051, projekt VaV

Název: Centrum pro výzkum toxických látek v prostředí (Akronym: RECETOX RI)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, Výzkumná infrastruktura RECETOX

LO1214, projekt VaV

Název: Centrum pro výzkum toxických látek v prostředí (Akronym: RECETOX)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, Centrum pro výzkum toxických látek v prostředí

Citovat

FILIPOVÁ, Lenka; Miriam KOHAGEN; Peter ŠTACKO; Eva MUCHOVA; Petr SLAVÍČEK a Petr KLÁN. Photoswitching of Azobenzene-Based Reverse Micelles above and at Subzero Temperatures As Studied by NMR and Molecular Dynamics Simulations. Langmuir. WASHINGTON: AMER CHEMICAL SOC, 2017, roč. 33, č. 9, s. 2306-2317. ISSN 0743-7463. Dostupné z: https://doi.org/10.1021/acs.langmuir.6b04455.

@article{1400312,
   author = {Filipová, Lenka and Kohagen, Miriam and Štacko, Peter and Muchova, Eva and Slavíček, Petr and Klán, Petr},
   article_location = {WASHINGTON},
   article_number = {9},
   doi = {https://doi.org/10.1021/acs.langmuir.6b04455},
   keywords = {IONIC LIQUIDS; FORCE-FIELD; TRANS ISOMERIZATION; DRUG-DELIVERY; WATER; CRYSTALS; LIGHT; PHOTOISOMERIZATION; VESICLES; SOLVENTS},
   language = {eng},
   issn = {0743-7463},
   journal = {Langmuir},
   title = {Photoswitching of Azobenzene-Based Reverse Micelles above and at Subzero Temperatures As Studied by NMR and Molecular Dynamics Simulations},
   url = {http://pubs.acs.org/doi/10.1021/acs.langmuir.6b04455},
   volume = {33},
   year = {2017}
}

TY  - JOUR
ID  - 1400312
AU  - Filipová, Lenka - Kohagen, Miriam - Štacko, Peter - Muchova, Eva - Slavíček, Petr - Klán, Petr
PY  - 2017
TI  - Photoswitching of Azobenzene-Based Reverse Micelles above and at Subzero Temperatures As Studied by NMR and Molecular Dynamics Simulations
JF  - Langmuir
VL  - 33
IS  - 9
SP  - 2306-2317
EP  - 2306-2317
PB  - AMER CHEMICAL SOC
SN  - 07437463
KW  - IONIC LIQUIDS
KW  - FORCE-FIELD
KW  - TRANS ISOMERIZATION
KW  - DRUG-DELIVERY
KW  - WATER
KW  - CRYSTALS
KW  - LIGHT
KW  - PHOTOISOMERIZATION
KW  - VESICLES
KW  - SOLVENTS
UR  - http://pubs.acs.org/doi/10.1021/acs.langmuir.6b04455
L2  - http://pubs.acs.org/doi/10.1021/acs.langmuir.6b04455
N2  - We designed and studied the structure, dynamics, and photochemistry of photoswitchable reverse micelles (RMs) composed of azobenzene-containing ammonium amphiphile 1 and water in chloroform at room and subzero temperatures by NMR spectroscopy and molecular dynamics simulations. The NMR and diffusion coefficient analyses showed that micelles containing either the E or Z configuration of 1 are stable at room temperature. Depending on the water-to-surfactant molar ratio, the size of the RMs remains unchanged or is slightly reduced because of the partial loss of water from the micellar cores upon extensive E -> Z or Z -> E photoisomerization of the azobenzene group in 1. Upon freezing at 253 or 233 K, E-1 RMs partially precipitate from the solution but are redissolved upon warming whereas Z-1 RMs remain fully dissolved at all temperatures. Light-induced isomerization of 1 at low temperatures does not lead to the disintegration of RMs remaining in the solution; however, its scope is influenced by a precipitation process. To obtain a deeper molecular view of RMs, their structure was characterized by MD simulations. It is shown that RMs allow for amphiphile isomerization without causing any immediate significant structural changes in the micelles.
ER  -

FILIPOVÁ, Lenka; Miriam KOHAGEN; Peter ŠTACKO; Eva MUCHOVA; Petr SLAVÍČEK a Petr KLÁN. Photoswitching of Azobenzene-Based Reverse Micelles above and at Subzero Temperatures As Studied by NMR and Molecular Dynamics Simulations. \textit{Langmuir}. WASHINGTON: AMER CHEMICAL SOC, 2017, roč.~33, č.~9, s.~2306-2317. ISSN~0743-7463. Dostupné z: https://doi.org/10.1021/acs.langmuir.6b04455.

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