Dielectric and conformal studies of 1-propanol and 1-butanol in methanol

Lone, Baliram; Madhurima, V.

doi:10.1007/s00894-010-0772-y

Cited by 24 publications

(8 citation statements)

References 50 publications

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“…Therefore, this amino acid may be very conservative in all coronaviruses and it has a big role in spike receptor binding but not host selectivity. F486 in RBD of the spike protein gives strength for RBD binding of spike protein of SARS-CoV-2 to the ACE2 receptor [31]. This mutation is also not present among significant amino acid mutations in animal and human coronaviruses; therefore, it may be one of the conservative amino acids.…”

Section: Discussion/conclusionmentioning

confidence: 99%

“…This membrane has a role in pathogenesis and virus entry into the cell. After binding of spike to the ACE2 receptor, it moves closer to its corresponding host cell membrane and mediates fusion of the cell viral membranes [6-9, 24, 31]. Due to its important role in pathogenesis, it is necessary to investigate the mutations in this protein in different animal and human coronaviruses, including SARS-CoV-2.…”

Section: Discussion/conclusionmentioning

confidence: 99%

See 1 more Smart Citation

Genetic Variation and Evolution of the 2019 Novel Coronavirus

Dimonte¹,

Babakir‐Mina

Hama-Soor

et al. 2021

Public Health Genomics

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Introduction: SARS-CoV-2 is a new type of coronavirus causing a pandemic severe acute respiratory syndrome (SARS-2). Coronaviruses are very diverting genetically and mutate so often periodically. The natural selection of viral mutations may cause host infection selectivity and infectivity. Methods: This study was aimed to indicate the diversity between human and animal coronaviruses through finding the rate of mutation in each of the spike, nucleocapsid, envelope, and membrane proteins. Results: The mutation rate is abundant in all 4 structural proteins. The most number of statistically significant amino acid mutations were found in spike receptor-binding domain (RBD) which may be because it is responsible for a corresponding receptor binding in a broad range of hosts and host selectivity to infect. Among 17 previously known amino acids which are important for binding of spike to angiotensin-converting enzyme 2 (ACE2) receptor, all of them are conservative among human coronaviruses, but only 3 of them significantly are mutated in animal coronaviruses. A single amino acid aspartate-454, that causes dissociation of the RBD of the spike and ACE2, and F486 which gives the strength of binding with ACE2 remain intact in all coronaviruses. Discussion/Conclusion: Observations of this study provided evidence of the genetic diversity and rapid evolution of SARS-CoV-2 as well as other human and animal coronaviruses.

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Section: Discussion/conclusionmentioning

confidence: 99%

Section: Discussion/conclusionmentioning

confidence: 99%

Genetic Variation and Evolution of the 2019 Novel Coronavirus

Dimonte¹,

Babakir‐Mina

Hama-Soor

et al. 2021

Public Health Genomics

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show abstract

“…The excess static dielectric constant e s ð Þ E provides information about the interactions in the liquid mixture. [43] Depending on the nature of the value of e s ð Þ E , if e s ð Þ E ¼ 0 indicates that the components A and B of the mixture do not interact with each other and do not change their individual structural properties in the presence of the other liquid, e s ð Þ E < 0 indicates that the components A and B interact in such a way that there is decrease in net effective dipole polarization. They form multimer structures via hydrogen bonding and e s ð Þ E > 0 indicates that the components A and B interact in such a way that effective dipole polarization is enhanced.…”

Section: Chemistryselectmentioning

confidence: 99%

Hydrogen Bonding in 1‐Propanol‐Ethanol Binary Mixture: Experimental and Modeling Approaches

Swathi

Abdulkareem

Kartha³

et al. 2022

ChemistrySelect

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Hydrogen bonds between the constituent molecules determine the physical properties of binary liquids. In this work, we explore the nature of hydrogen bonding in ethanol‐propanol system through experimental and computational techniques. The refractive index, dielectric spectroscopy and infrared spectroscopy along with molecular dynamic simulations of 1‐propanol‐ethanol binary system over the entire concentration range are reported here. The excess static permittivity and excess relaxation time shows the evidence of hydrogen bonded multimer structures. The deconvoluted OH peaks from IR spectra indicate the presence of trimers, tetramers and pentamers. The linear decrease in refractive index indicates the absence of caged structures. Molecular Dynamics simulations confirm the presence of the multimers and the absence of caged structures. Radial distribution function shows the binary mixtures exhibit no structural change throughout the concentration range. We also examine the H‐bonding networks present in these systems via graph theoretic analysis.

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“…C exact values can be determined from osmotic coefficient measurements and correlation of data by the same model 22 in the same range of temperatures and atmospheric pressure. φ A represents the Debye-Hückel coefficient for osmotic coefficient of 1-propanol calculated in this work by using experimental density data from literature 24 and static dielectric constants of 1-propanol 25 at the temperatures of this work (Table 1). A H is the Debye-Hückel coefficient for 1-propanol enthalpy in J mol -1 and it was calculated in this work ( Table 1).…”

Section: Archer and Rard Model 22 For The Molar Enthalpy Of Solution mentioning

confidence: 99%

Solution molar enthalpies for 1-butyl-3-methylimidazolium chloride – 1-propanol system at 303.56 and 318.68 K

TEODORESCU¹,

Popa²

2019

Rev.Roum.Chim.

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Enthalpies of solution for 1-butyl-3-methylimidazolium chloride ([bmim]Cl) + 1-propanol system have been measured in a SETARAM C80 3D calorimeter with reversal mixing mechanism over the composition range from m = 0.0048 to 2.6224 mol kg-1 of [bmim]Cl at temperatures of 303.56 K and 318.68 K and atmospheric pressure. The data have been correlated adequately with Archer and Rard (1998) model for electrolyte systems. The mean relative deviations in absolute value obtained in molar enthalpy of solution correlation were situated between 5.9 % and 11.2 %. The molar enthalpies of solution at infinite dilution, the apparent relative molar enthalpies for the solutes and relative molar enthalpies L for the mixtures were determined according to this model. The latter thermodynamic property is endothermic throughout the whole composition range of studied homogenous mixtures, and at constant mole fraction decreases with increasing temperature. The negative solution molar enthalpy at infinite dilution confirmed that within low concentration range of the IL, the interactions which appear at mixing of the two compounds are strongly attractive and they are most likely dominated by the packing of unlike molecules.

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Dielectric and conformal studies of 1-propanol and 1-butanol in methanol

Cited by 24 publications

References 50 publications

Genetic Variation and Evolution of the 2019 Novel Coronavirus

Genetic Variation and Evolution of the 2019 Novel Coronavirus

Hydrogen Bonding in 1‐Propanol‐Ethanol Binary Mixture: Experimental and Modeling Approaches

Solution molar enthalpies for 1-butyl-3-methylimidazolium chloride – 1-propanol system at 303.56 and 318.68 K

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