The Experts below are selected from a list of 90 Experts worldwide ranked by ideXlab platform

Mert Atilhan - One of the best experts on this subject based on the ideXlab platform.

  • A Computational Study on Choline Benzoate and Choline Salicylate Ionic Liquids in the Pure State and After CO2 Adsorption
    The journal of physical chemistry. B, 2012
    Co-Authors: Santiago Aparicio, Mert Atilhan
    Abstract:

    Choline-based ionic liquids show very adequate environmental, toxicological, and economical profiles for their application in many different technological areas. We report in this work a computational study on the properties of Choline benzoate and Choline Salicylate ionic liquids, as representatives of this family of compounds, in the pure state and after CO2 adsorption. Quantum chemistry calculations using the density functional theory approach for ionic pairs and ions, CO2 pairs, were carried out, and the results analyzed using natural bond orbital and atoms in a molecule approaches. Classical molecular dynamics simulations of ionic liquids were done as a function of pressure, temperature, and CO2 concentration. Microscopic structuring and intermolecular forces are analyzed together with the dynamic behavior of the studied fluids.

  • Choline-Based Ionic Liquids on Graphite Surfaces and Carbon Nanotubes Solvation: A Molecular Dynamics Study
    The Journal of Physical Chemistry C, 2012
    Co-Authors: Santiago Aparicio, Mert Atilhan
    Abstract:

    The microscopic structure of Choline benzoate and Choline Salicylate at uncharged hydrophobic graphite surfaces, and around and inside single-walled carbon nanotubes with (10,10) and (15,15) armchair configurations, was analyzed using molecular dynamics simulations. The reported results show remarkable structural differences in the vicinity of graphite surfaces (up to 20 A) in comparison with bulk ionic liquids. A remarkable increase of density in the region up to 6 A close to graphite surface is inferred, which is more remarkable for benzoate and Salicylate anions than for Choline cation. Aromatic rings in benzoate and Salicylate anions lie flat at the graphite surface. Choline-based ionic liquids show cylindrical distributions around carbon nanotubes, with the filling of the nanotube depending on the nanotube diameter. The distributions inside the nanotubes rely on the nanotube diameter and are not uniform for the studied anions and cations. Aromatic rings in benzoate and Salicylate cations stay paralle...

  • A Computational Study on Choline Benzoate and Choline Salicylate Ionic Liquids in the Pure State and After CO2 Adsorption
    2012
    Co-Authors: Santiago Aparicio, Mert Atilhan
    Abstract:

    Choline-based ionic liquids show very adequate environmental, toxicological, and economical profiles for their application in many different technological areas. We report in this work a computational study on the properties of Choline benzoate and Choline Salicylate ionic liquids, as representatives of this family of compounds, in the pure state and after CO2 adsorption. Quantum chemistry calculations using the density functional theory approach for ionic pairs and ions, CO2 pairs, were carried out, and the results analyzed using natural bond orbital and atoms in a molecule approaches. Classical molecular dynamics simulations of ionic liquids were done as a function of pressure, temperature, and CO2 concentration. Microscopic structuring and intermolecular forces are analyzed together with the dynamic behavior of the studied fluids

  • Choline-Based Ionic Liquids on Graphite Surfaces and Carbon Nanotubes Solvation: A Molecular Dynamics Study
    2012
    Co-Authors: Santiago Aparicio, Mert Atilhan
    Abstract:

    The microscopic structure of Choline benzoate and Choline Salicylate at uncharged hydrophobic graphite surfaces, and around and inside single-walled carbon nanotubes with (10,10) and (15,15) armchair configurations, was analyzed using molecular dynamics simulations. The reported results show remarkable structural differences in the vicinity of graphite surfaces (up to 20 Å) in comparison with bulk ionic liquids. A remarkable increase of density in the region up to 6 Å close to graphite surface is inferred, which is more remarkable for benzoate and Salicylate anions than for Choline cation. Aromatic rings in benzoate and Salicylate anions lie flat at the graphite surface. Choline-based ionic liquids show cylindrical distributions around carbon nanotubes, with the filling of the nanotube depending on the nanotube diameter. The distributions inside the nanotubes rely on the nanotube diameter and are not uniform for the studied anions and cations. Aromatic rings in benzoate and Salicylate cations stay parallel to nanotube surfaces

Tohru Kobayashi - One of the best experts on this subject based on the ideXlab platform.

  • Effectiveness of antiplatelet therapy for Kawasaki disease: a systematic review
    European Journal of Pediatrics, 2019
    Co-Authors: Reo Tanoshima, Risa Hashimoto, Takanori Suzuki, Akira Ishiguro, Tohru Kobayashi
    Abstract:

    Kawasaki disease is an acute systemic vasculitis in children. Antiplatelet medicines are commonly used for Kawasaki disease to attenuate vasculitis and prevent thromboembolism; however, the mechanisms have not been elucidated. The objective of this study is to assess the effectiveness of antiplatelet medications for Kawasaki disease. We used Medline, Embase, Cochrane Central Register of Controlled Trials, and Igaku Chuo Zasshi (Ichushi) from January 1947 to August 2018. Studies describing the platelet functions of antiplatelet drugs for Kawasaki disease were included. Twenty studies met the inclusion criteria. There were no randomized controlled trials. Seven studies compared platelet aggregation ability before and after treatment. Eight studies compared platelet aggregation with that in Kawasaki disease patients without treatment. Four studies compared aggregation among different types of antiplatelet drugs or at different doses. Antiplatelet medications administered in the studies included aspirin, flurbiprofen, dipyridamole, and Choline Salicylate. Methods for the measurement of platelet aggregation ability varied among studies. The groups with antiplatelet treatment tended to have a decreased platelet aggregation function. The statistical analyses were impossible due to insufficient quantitative data and heterogeneity among the studies. Conclusion : The present systematic review revealed that there was insufficient evidence for the effectiveness of antiplatelet therapy for Kawasaki disease. What is Known: • Antiplatelet therapy is widely used for Kawasaki disease to mitigate cardiac complications . • The mechanisms of antiplatelet therapy for Kawasaki disease are not clarified . What is New: • This systematic review showed that the groups with antiplatelet treatment tended to have a decreased platelet aggregation function . • There is insufficient evidence for the effectiveness of antiplatelet therapy for Kawasaki disease .

  • Effectiveness of antiplatelet therapy for Kawasaki disease: a systematic review.
    European journal of pediatrics, 2019
    Co-Authors: Reo Tanoshima, Risa Hashimoto, Takanori Suzuki, Akira Ishiguro, Tohru Kobayashi
    Abstract:

    Kawasaki disease is an acute systemic vasculitis in children. Antiplatelet medicines are commonly used for Kawasaki disease to attenuate vasculitis and prevent thromboembolism; however, the mechanisms have not been elucidated. The objective of this study is to assess the effectiveness of antiplatelet medications for Kawasaki disease. We used Medline, Embase, Cochrane Central Register of Controlled Trials, and Igaku Chuo Zasshi (Ichushi) from January 1947 to August 2018. Studies describing the platelet functions of antiplatelet drugs for Kawasaki disease were included. Twenty studies met the inclusion criteria. There were no randomized controlled trials. Seven studies compared platelet aggregation ability before and after treatment. Eight studies compared platelet aggregation with that in Kawasaki disease patients without treatment. Four studies compared aggregation among different types of antiplatelet drugs or at different doses. Antiplatelet medications administered in the studies included aspirin, flurbiprofen, dipyridamole, and Choline Salicylate. Methods for the measurement of platelet aggregation ability varied among studies. The groups with antiplatelet treatment tended to have a decreased platelet aggregation function. The statistical analyses were impossible due to insufficient quantitative data and heterogeneity among the studies.

Santiago Aparicio - One of the best experts on this subject based on the ideXlab platform.

  • A Computational Study on Choline Benzoate and Choline Salicylate Ionic Liquids in the Pure State and After CO2 Adsorption
    The journal of physical chemistry. B, 2012
    Co-Authors: Santiago Aparicio, Mert Atilhan
    Abstract:

    Choline-based ionic liquids show very adequate environmental, toxicological, and economical profiles for their application in many different technological areas. We report in this work a computational study on the properties of Choline benzoate and Choline Salicylate ionic liquids, as representatives of this family of compounds, in the pure state and after CO2 adsorption. Quantum chemistry calculations using the density functional theory approach for ionic pairs and ions, CO2 pairs, were carried out, and the results analyzed using natural bond orbital and atoms in a molecule approaches. Classical molecular dynamics simulations of ionic liquids were done as a function of pressure, temperature, and CO2 concentration. Microscopic structuring and intermolecular forces are analyzed together with the dynamic behavior of the studied fluids.

  • Choline-Based Ionic Liquids on Graphite Surfaces and Carbon Nanotubes Solvation: A Molecular Dynamics Study
    The Journal of Physical Chemistry C, 2012
    Co-Authors: Santiago Aparicio, Mert Atilhan
    Abstract:

    The microscopic structure of Choline benzoate and Choline Salicylate at uncharged hydrophobic graphite surfaces, and around and inside single-walled carbon nanotubes with (10,10) and (15,15) armchair configurations, was analyzed using molecular dynamics simulations. The reported results show remarkable structural differences in the vicinity of graphite surfaces (up to 20 A) in comparison with bulk ionic liquids. A remarkable increase of density in the region up to 6 A close to graphite surface is inferred, which is more remarkable for benzoate and Salicylate anions than for Choline cation. Aromatic rings in benzoate and Salicylate anions lie flat at the graphite surface. Choline-based ionic liquids show cylindrical distributions around carbon nanotubes, with the filling of the nanotube depending on the nanotube diameter. The distributions inside the nanotubes rely on the nanotube diameter and are not uniform for the studied anions and cations. Aromatic rings in benzoate and Salicylate cations stay paralle...

  • A Computational Study on Choline Benzoate and Choline Salicylate Ionic Liquids in the Pure State and After CO2 Adsorption
    2012
    Co-Authors: Santiago Aparicio, Mert Atilhan
    Abstract:

    Choline-based ionic liquids show very adequate environmental, toxicological, and economical profiles for their application in many different technological areas. We report in this work a computational study on the properties of Choline benzoate and Choline Salicylate ionic liquids, as representatives of this family of compounds, in the pure state and after CO2 adsorption. Quantum chemistry calculations using the density functional theory approach for ionic pairs and ions, CO2 pairs, were carried out, and the results analyzed using natural bond orbital and atoms in a molecule approaches. Classical molecular dynamics simulations of ionic liquids were done as a function of pressure, temperature, and CO2 concentration. Microscopic structuring and intermolecular forces are analyzed together with the dynamic behavior of the studied fluids

  • Choline-Based Ionic Liquids on Graphite Surfaces and Carbon Nanotubes Solvation: A Molecular Dynamics Study
    2012
    Co-Authors: Santiago Aparicio, Mert Atilhan
    Abstract:

    The microscopic structure of Choline benzoate and Choline Salicylate at uncharged hydrophobic graphite surfaces, and around and inside single-walled carbon nanotubes with (10,10) and (15,15) armchair configurations, was analyzed using molecular dynamics simulations. The reported results show remarkable structural differences in the vicinity of graphite surfaces (up to 20 Å) in comparison with bulk ionic liquids. A remarkable increase of density in the region up to 6 Å close to graphite surface is inferred, which is more remarkable for benzoate and Salicylate anions than for Choline cation. Aromatic rings in benzoate and Salicylate anions lie flat at the graphite surface. Choline-based ionic liquids show cylindrical distributions around carbon nanotubes, with the filling of the nanotube depending on the nanotube diameter. The distributions inside the nanotubes rely on the nanotube diameter and are not uniform for the studied anions and cations. Aromatic rings in benzoate and Salicylate cations stay parallel to nanotube surfaces

Lorenzo Gontrani - One of the best experts on this subject based on the ideXlab platform.

  • Choline Salicylate ionic liquid by X-ray scattering, vibrational spectroscopy and molecular dynamics
    Journal of Molecular Liquids, 2016
    Co-Authors: Luana Tanzi, Michele Nardone, P. Benassi, Fabio Ramondo, Ruggero Caminiti, Lorenzo Gontrani
    Abstract:

    Abstract We report here a combined experimental and theoretical study on the bio-compatible Salicylate Choline ionic liquid. The liquid structure has been investigated by X-ray diffraction and vibrational (IR and Raman) spectroscopy. Local structure has been obtained from ab initio calculations on static ion pairs and from dynamic simulations of a small portion of the liquid. The theoretical models indicate that Salicylate is connected by hydrogen bonding to Choline mainly through the carboxylate group and forms stable ion pairs. A strong intramolecular interaction hinders internal rotations of the OH group of Salicylate and competes with the hydrogen bonding with Choline. When the liquid has been simulated by classical force fields we found a good agreement with the X-ray experimental features, comparable to that obtained from AIMD simulations. Important insights on hydrogen bonding between carboxylate and Choline have been also derived from the analysis of the CO stretching modes of carboxylate measured in the Raman and IR spectra and calculated from VDOS-Wannier centers procedures.

Reo Tanoshima - One of the best experts on this subject based on the ideXlab platform.

  • Effectiveness of antiplatelet therapy for Kawasaki disease: a systematic review
    European Journal of Pediatrics, 2019
    Co-Authors: Reo Tanoshima, Risa Hashimoto, Takanori Suzuki, Akira Ishiguro, Tohru Kobayashi
    Abstract:

    Kawasaki disease is an acute systemic vasculitis in children. Antiplatelet medicines are commonly used for Kawasaki disease to attenuate vasculitis and prevent thromboembolism; however, the mechanisms have not been elucidated. The objective of this study is to assess the effectiveness of antiplatelet medications for Kawasaki disease. We used Medline, Embase, Cochrane Central Register of Controlled Trials, and Igaku Chuo Zasshi (Ichushi) from January 1947 to August 2018. Studies describing the platelet functions of antiplatelet drugs for Kawasaki disease were included. Twenty studies met the inclusion criteria. There were no randomized controlled trials. Seven studies compared platelet aggregation ability before and after treatment. Eight studies compared platelet aggregation with that in Kawasaki disease patients without treatment. Four studies compared aggregation among different types of antiplatelet drugs or at different doses. Antiplatelet medications administered in the studies included aspirin, flurbiprofen, dipyridamole, and Choline Salicylate. Methods for the measurement of platelet aggregation ability varied among studies. The groups with antiplatelet treatment tended to have a decreased platelet aggregation function. The statistical analyses were impossible due to insufficient quantitative data and heterogeneity among the studies. Conclusion : The present systematic review revealed that there was insufficient evidence for the effectiveness of antiplatelet therapy for Kawasaki disease. What is Known: • Antiplatelet therapy is widely used for Kawasaki disease to mitigate cardiac complications . • The mechanisms of antiplatelet therapy for Kawasaki disease are not clarified . What is New: • This systematic review showed that the groups with antiplatelet treatment tended to have a decreased platelet aggregation function . • There is insufficient evidence for the effectiveness of antiplatelet therapy for Kawasaki disease .

  • Effectiveness of antiplatelet therapy for Kawasaki disease: a systematic review.
    European journal of pediatrics, 2019
    Co-Authors: Reo Tanoshima, Risa Hashimoto, Takanori Suzuki, Akira Ishiguro, Tohru Kobayashi
    Abstract:

    Kawasaki disease is an acute systemic vasculitis in children. Antiplatelet medicines are commonly used for Kawasaki disease to attenuate vasculitis and prevent thromboembolism; however, the mechanisms have not been elucidated. The objective of this study is to assess the effectiveness of antiplatelet medications for Kawasaki disease. We used Medline, Embase, Cochrane Central Register of Controlled Trials, and Igaku Chuo Zasshi (Ichushi) from January 1947 to August 2018. Studies describing the platelet functions of antiplatelet drugs for Kawasaki disease were included. Twenty studies met the inclusion criteria. There were no randomized controlled trials. Seven studies compared platelet aggregation ability before and after treatment. Eight studies compared platelet aggregation with that in Kawasaki disease patients without treatment. Four studies compared aggregation among different types of antiplatelet drugs or at different doses. Antiplatelet medications administered in the studies included aspirin, flurbiprofen, dipyridamole, and Choline Salicylate. Methods for the measurement of platelet aggregation ability varied among studies. The groups with antiplatelet treatment tended to have a decreased platelet aggregation function. The statistical analyses were impossible due to insufficient quantitative data and heterogeneity among the studies.