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Joshua Jortner - One of the best experts on this subject based on the ideXlab platform.
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Permutational symmetry, isotope effects, side crossing, and singlet-triplet splitting in Anthracene⋅HeN (N=1, 2) clusters
Journal of Chemical Physics, 2003Co-Authors: Andreas Heidenreich, Joshua JortnerAbstract:We present quantum-mechanical calculations for the vibrational states of Anthracene⋅3HeN and Anthracene⋅4HeN (N=1, 2) clusters in the ground (S0) and first excited singlet state (S1) of the Anthracene molecule. The Anthracene-He potential in the S0 state was described in terms of a sum of Lennard-Jones atom-atom potentials, while the potential in the S1 state also included changes in the dispersive energy and in the repulsive interactions. Variational calculations were carried out for Anthracene⋅He1. For Anthracene⋅He2, configuration interaction calculations were performed, accounting for the boson and fermion permutation symmetry. For both helium isotopes of the N=1 cluster, tunneling splitting is negligible (
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permutational symmetry isotope effects side crossing and singlet triplet splitting in Anthracene hen n 1 2 clusters
Journal of Chemical Physics, 2003Co-Authors: Andreas Heidenreich, Joshua JortnerAbstract:We present quantum-mechanical calculations for the vibrational states of Anthracene⋅3HeN and Anthracene⋅4HeN (N=1, 2) clusters in the ground (S0) and first excited singlet state (S1) of the Anthracene molecule. The Anthracene-He potential in the S0 state was described in terms of a sum of Lennard-Jones atom-atom potentials, while the potential in the S1 state also included changes in the dispersive energy and in the repulsive interactions. Variational calculations were carried out for Anthracene⋅He1. For Anthracene⋅He2, configuration interaction calculations were performed, accounting for the boson and fermion permutation symmetry. For both helium isotopes of the N=1 cluster, tunneling splitting is negligible (<0.01 cm−1), as an appreciable interaction of the densities was only found for highly excited states above the potential-energy barrier of side crossing (for energy eigenvalues ⩾−22 cm−1 below the dissociation limit). The two-boson Anthracene⋅4He2 system assumes a singlet 1A1 ground state due to zer...
Takashi Hayashita - One of the best experts on this subject based on the ideXlab platform.
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Selective Sugar Recognition by Anthracene-Type Boronic Acid Fluorophore/Cyclodextrin Supramolecular Complex Under Physiological pH Condition.
Frontiers in Chemistry, 2019Co-Authors: Ko Sugita, Yuji Tsuchido, Chisato Kasahara, Maria Antonietta Casulli, Shoji Fujiwara, Takeshi Hashimoto, Takashi HayashitaAbstract:We synthesized novel PET (photoinduced electron transfer) type fluorescence glucose probe 1 ((4-(anthracen-2-yl-carbamoyl)-3-fluorophenyl)boronic acid), which has a phenylboronic acid (PBA) moiety as the recognition site and Anthracene as the fluorescent part. Although the PBA derivatives dissociate and bind with sugar in the basic condition, our new fluorescent probe can recognize sugars in the physiological pH by introducing an electron-withdrawing fluorine group into the PBA moiety. As a result, the pKa value of this fluorescent probe was lowered and the probe was able to recognize sugars at the physiological pH of 7.4. The sensor was found to produce two types of fluorescent signals, monomer fluorescence and dimer fluorescence, by forming a supramolecular 2:1 complex of 1 with glucose inside a gamma-cyclodextrin (gamma-CyD) cavity. Selective ratiometric sensing of glucose by the 1/gamma-CyD complex was achieved in water at physiological pH.
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selective sugar recognition by Anthracene type boronic acid fluorophore cyclodextrin supramolecular complex under physiological ph condition
Frontiers in Chemistry, 2019Co-Authors: Ko Sugita, Yuji Tsuchido, Chisato Kasahara, Maria Antonietta Casulli, Shoji Fujiwara, Takeshi Hashimoto, Takashi HayashitaAbstract:We synthesized novel PET (photoinduced electron transfer) type fluorescence glucose probe 1 ((4-(anthracen-2-yl-carbamoyl)-3-fluorophenyl)boronic acid), which has a phenylboronic acid (PBA) moiety as the recognition site and Anthracene as the fluorescent part. Although the PBA derivatives dissociate and bind with sugar in the basic condition, our new fluorescent probe can recognize sugars in the physiological pH by introducing an electron-withdrawing fluorine group into the PBA moiety. As a result, the pKa value of this fluorescent probe was lowered and the probe was able to recognize sugars at the physiological pH of 7.4. The sensor was found to produce two types of fluorescent signals, monomer fluorescence and dimer fluorescence, by forming a supramolecular 2:1 complex of 1 with glucose inside a gamma-cyclodextrin (gamma-CyD) cavity. Selective ratiometric sensing of glucose by the 1/gamma-CyD complex was achieved in water at physiological pH.
Shoji Fujiwara - One of the best experts on this subject based on the ideXlab platform.
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Selective Sugar Recognition by Anthracene-Type Boronic Acid Fluorophore/Cyclodextrin Supramolecular Complex Under Physiological pH Condition.
Frontiers in Chemistry, 2019Co-Authors: Ko Sugita, Yuji Tsuchido, Chisato Kasahara, Maria Antonietta Casulli, Shoji Fujiwara, Takeshi Hashimoto, Takashi HayashitaAbstract:We synthesized novel PET (photoinduced electron transfer) type fluorescence glucose probe 1 ((4-(anthracen-2-yl-carbamoyl)-3-fluorophenyl)boronic acid), which has a phenylboronic acid (PBA) moiety as the recognition site and Anthracene as the fluorescent part. Although the PBA derivatives dissociate and bind with sugar in the basic condition, our new fluorescent probe can recognize sugars in the physiological pH by introducing an electron-withdrawing fluorine group into the PBA moiety. As a result, the pKa value of this fluorescent probe was lowered and the probe was able to recognize sugars at the physiological pH of 7.4. The sensor was found to produce two types of fluorescent signals, monomer fluorescence and dimer fluorescence, by forming a supramolecular 2:1 complex of 1 with glucose inside a gamma-cyclodextrin (gamma-CyD) cavity. Selective ratiometric sensing of glucose by the 1/gamma-CyD complex was achieved in water at physiological pH.
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selective sugar recognition by Anthracene type boronic acid fluorophore cyclodextrin supramolecular complex under physiological ph condition
Frontiers in Chemistry, 2019Co-Authors: Ko Sugita, Yuji Tsuchido, Chisato Kasahara, Maria Antonietta Casulli, Shoji Fujiwara, Takeshi Hashimoto, Takashi HayashitaAbstract:We synthesized novel PET (photoinduced electron transfer) type fluorescence glucose probe 1 ((4-(anthracen-2-yl-carbamoyl)-3-fluorophenyl)boronic acid), which has a phenylboronic acid (PBA) moiety as the recognition site and Anthracene as the fluorescent part. Although the PBA derivatives dissociate and bind with sugar in the basic condition, our new fluorescent probe can recognize sugars in the physiological pH by introducing an electron-withdrawing fluorine group into the PBA moiety. As a result, the pKa value of this fluorescent probe was lowered and the probe was able to recognize sugars at the physiological pH of 7.4. The sensor was found to produce two types of fluorescent signals, monomer fluorescence and dimer fluorescence, by forming a supramolecular 2:1 complex of 1 with glucose inside a gamma-cyclodextrin (gamma-CyD) cavity. Selective ratiometric sensing of glucose by the 1/gamma-CyD complex was achieved in water at physiological pH.
Yuji Tsuchido - One of the best experts on this subject based on the ideXlab platform.
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Selective Sugar Recognition by Anthracene-Type Boronic Acid Fluorophore/Cyclodextrin Supramolecular Complex Under Physiological pH Condition.
Frontiers in Chemistry, 2019Co-Authors: Ko Sugita, Yuji Tsuchido, Chisato Kasahara, Maria Antonietta Casulli, Shoji Fujiwara, Takeshi Hashimoto, Takashi HayashitaAbstract:We synthesized novel PET (photoinduced electron transfer) type fluorescence glucose probe 1 ((4-(anthracen-2-yl-carbamoyl)-3-fluorophenyl)boronic acid), which has a phenylboronic acid (PBA) moiety as the recognition site and Anthracene as the fluorescent part. Although the PBA derivatives dissociate and bind with sugar in the basic condition, our new fluorescent probe can recognize sugars in the physiological pH by introducing an electron-withdrawing fluorine group into the PBA moiety. As a result, the pKa value of this fluorescent probe was lowered and the probe was able to recognize sugars at the physiological pH of 7.4. The sensor was found to produce two types of fluorescent signals, monomer fluorescence and dimer fluorescence, by forming a supramolecular 2:1 complex of 1 with glucose inside a gamma-cyclodextrin (gamma-CyD) cavity. Selective ratiometric sensing of glucose by the 1/gamma-CyD complex was achieved in water at physiological pH.
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selective sugar recognition by Anthracene type boronic acid fluorophore cyclodextrin supramolecular complex under physiological ph condition
Frontiers in Chemistry, 2019Co-Authors: Ko Sugita, Yuji Tsuchido, Chisato Kasahara, Maria Antonietta Casulli, Shoji Fujiwara, Takeshi Hashimoto, Takashi HayashitaAbstract:We synthesized novel PET (photoinduced electron transfer) type fluorescence glucose probe 1 ((4-(anthracen-2-yl-carbamoyl)-3-fluorophenyl)boronic acid), which has a phenylboronic acid (PBA) moiety as the recognition site and Anthracene as the fluorescent part. Although the PBA derivatives dissociate and bind with sugar in the basic condition, our new fluorescent probe can recognize sugars in the physiological pH by introducing an electron-withdrawing fluorine group into the PBA moiety. As a result, the pKa value of this fluorescent probe was lowered and the probe was able to recognize sugars at the physiological pH of 7.4. The sensor was found to produce two types of fluorescent signals, monomer fluorescence and dimer fluorescence, by forming a supramolecular 2:1 complex of 1 with glucose inside a gamma-cyclodextrin (gamma-CyD) cavity. Selective ratiometric sensing of glucose by the 1/gamma-CyD complex was achieved in water at physiological pH.
Andreas Heidenreich - One of the best experts on this subject based on the ideXlab platform.
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Permutational symmetry, isotope effects, side crossing, and singlet-triplet splitting in Anthracene⋅HeN (N=1, 2) clusters
Journal of Chemical Physics, 2003Co-Authors: Andreas Heidenreich, Joshua JortnerAbstract:We present quantum-mechanical calculations for the vibrational states of Anthracene⋅3HeN and Anthracene⋅4HeN (N=1, 2) clusters in the ground (S0) and first excited singlet state (S1) of the Anthracene molecule. The Anthracene-He potential in the S0 state was described in terms of a sum of Lennard-Jones atom-atom potentials, while the potential in the S1 state also included changes in the dispersive energy and in the repulsive interactions. Variational calculations were carried out for Anthracene⋅He1. For Anthracene⋅He2, configuration interaction calculations were performed, accounting for the boson and fermion permutation symmetry. For both helium isotopes of the N=1 cluster, tunneling splitting is negligible (
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permutational symmetry isotope effects side crossing and singlet triplet splitting in Anthracene hen n 1 2 clusters
Journal of Chemical Physics, 2003Co-Authors: Andreas Heidenreich, Joshua JortnerAbstract:We present quantum-mechanical calculations for the vibrational states of Anthracene⋅3HeN and Anthracene⋅4HeN (N=1, 2) clusters in the ground (S0) and first excited singlet state (S1) of the Anthracene molecule. The Anthracene-He potential in the S0 state was described in terms of a sum of Lennard-Jones atom-atom potentials, while the potential in the S1 state also included changes in the dispersive energy and in the repulsive interactions. Variational calculations were carried out for Anthracene⋅He1. For Anthracene⋅He2, configuration interaction calculations were performed, accounting for the boson and fermion permutation symmetry. For both helium isotopes of the N=1 cluster, tunneling splitting is negligible (<0.01 cm−1), as an appreciable interaction of the densities was only found for highly excited states above the potential-energy barrier of side crossing (for energy eigenvalues ⩾−22 cm−1 below the dissociation limit). The two-boson Anthracene⋅4He2 system assumes a singlet 1A1 ground state due to zer...