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Thermodynamic properties of active pharmaceutical ingredients that are of interest in COVID-19

The pure component properties are estimated for active pharmaceutical ingredients that are related or proposed for the treatment of severe acute respiratory syndrome-CoronaVirus-2. These include Baricitinib, Camostat, Chloroquine, Dexamethasone, Hydroxychloroquine, Fingolimod, Favipiravir, Thalidomi...

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Autores principales: Nagar, Harsha, Ingle, Dhiraj, Munagala, Chandan Kumar, Kesari, Aman Kumar, Aniya, Vineet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8697427/
http://dx.doi.org/10.1016/j.cdc.2021.100820
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author Nagar, Harsha
Ingle, Dhiraj
Munagala, Chandan Kumar
Kesari, Aman Kumar
Aniya, Vineet
author_facet Nagar, Harsha
Ingle, Dhiraj
Munagala, Chandan Kumar
Kesari, Aman Kumar
Aniya, Vineet
author_sort Nagar, Harsha
collection PubMed
description The pure component properties are estimated for active pharmaceutical ingredients that are related or proposed for the treatment of severe acute respiratory syndrome-CoronaVirus-2. These include Baricitinib, Camostat, Chloroquine, Dexamethasone, Hydroxychloroquine, Fingolimod, Favipiravir, Thalidomide, and Umifenovir. The estimations are based on group contribution(+) (GC) models that contain combined group contribution and atom connectivity index with uncertainties in the estimated property values. The thermodynamic properties that are reported include boiling point, critical temperature, critical pressure, critical volume, melting point, standard Gibb's energy of formation, standard enthalpy of formation, enthalpy of fusion, enthalpy of vaporization at 298 K, enthalpy of vaporization at boiling point, entropy of vaporization at boiling point, flash point, Hildebrand solubility parameter, octanol/water partition coefficient, acentric factor, and liquid molar volume at 298 K. The reported properties are not available in the literature and thereby is an incremental development for reliable process engineering.
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spelling pubmed-86974272021-12-23 Thermodynamic properties of active pharmaceutical ingredients that are of interest in COVID-19 Nagar, Harsha Ingle, Dhiraj Munagala, Chandan Kumar Kesari, Aman Kumar Aniya, Vineet Chemical Data Collections Article The pure component properties are estimated for active pharmaceutical ingredients that are related or proposed for the treatment of severe acute respiratory syndrome-CoronaVirus-2. These include Baricitinib, Camostat, Chloroquine, Dexamethasone, Hydroxychloroquine, Fingolimod, Favipiravir, Thalidomide, and Umifenovir. The estimations are based on group contribution(+) (GC) models that contain combined group contribution and atom connectivity index with uncertainties in the estimated property values. The thermodynamic properties that are reported include boiling point, critical temperature, critical pressure, critical volume, melting point, standard Gibb's energy of formation, standard enthalpy of formation, enthalpy of fusion, enthalpy of vaporization at 298 K, enthalpy of vaporization at boiling point, entropy of vaporization at boiling point, flash point, Hildebrand solubility parameter, octanol/water partition coefficient, acentric factor, and liquid molar volume at 298 K. The reported properties are not available in the literature and thereby is an incremental development for reliable process engineering. Elsevier B.V. 2022-02 2021-12-23 /pmc/articles/PMC8697427/ http://dx.doi.org/10.1016/j.cdc.2021.100820 Text en © 2021 Elsevier B.V. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Nagar, Harsha
Ingle, Dhiraj
Munagala, Chandan Kumar
Kesari, Aman Kumar
Aniya, Vineet
Thermodynamic properties of active pharmaceutical ingredients that are of interest in COVID-19
title Thermodynamic properties of active pharmaceutical ingredients that are of interest in COVID-19
title_full Thermodynamic properties of active pharmaceutical ingredients that are of interest in COVID-19
title_fullStr Thermodynamic properties of active pharmaceutical ingredients that are of interest in COVID-19
title_full_unstemmed Thermodynamic properties of active pharmaceutical ingredients that are of interest in COVID-19
title_short Thermodynamic properties of active pharmaceutical ingredients that are of interest in COVID-19
title_sort thermodynamic properties of active pharmaceutical ingredients that are of interest in covid-19
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8697427/
http://dx.doi.org/10.1016/j.cdc.2021.100820
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