3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid

Carmen-Irena Mitan; Emerich Bartha; Petru Filip

doi:doi:10.11648/j.sjc.20261405.13

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3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid

Carmen-Irena Mitan^*

, Emerich Bartha, Petru Filip

Published in Science Journal of Chemistry (Volume 14, Issue 5)

Received: 9 September 2026 Accepted: 27 September 2026 Published: 28 October 2026

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Abstract

Relationships between vicinal ϕ - dihedral θ_HnHn+1- tetrahedral φ_Cn angles [deg] under Hopf fibration and Lie algebra theories enable conformational analysis with VISION molecular models on conformational routes that might be followed by six membered ring, i.e. ⁴C₁: ⁰H5, ⁰H₁, ²H₁, ²H₃, ⁴H₃, ⁴H₅, ⁰S₂, ^3,0B, ³S₁, B^1,4, ⁵S₁, ^2,5B, ²S₀, B_3,0, ¹S₃, ^1,4B, ¹S₅, B_2,5of2,6-dideoxy-2,6-imino-D-talonic acid 1D. Six dihedral angles with cis-, trans-ee, trans-aa stereochemistry calculated from only one vicinal coupling constant ³J_HH[Hz] and torus and invers of torus equations, represented on 3-Sphere, a hypersphere in 4D, are restricted by the stereochemistry of sugar, by the combination of dihedral angles along its shape, tetrahedral angles and at list by the distorted boat B or skew S of relaxed ⁴C₁ or ¹C₄ chair conformations. Dihedral angles at anomeric position calculated from vicinal coupling constant are compared with angles calculated from carbon chemical shift with Euler - Conic manifold. On VISION molecular models are simulated first two conformations B_0,3and B^0,3 as etalon, followed by introduction the calculated exocyclic dihedral angles: 1. from dihedral angles calculated only from vicinal coupling constant ³J_HH[Hz]: S¹₃ (B_0,3), and B^0,3 (S²₀), S³₁; 2. or from carbon chemical shift δ[ppm] and vicinal coupling constant³J_HH[Hz]: S¹₃, B_0,3, S²₀ and S³₁.

Published in	Science Journal of Chemistry (Volume 14, Issue 5)
DOI	10.11648/j.sjc.20261405.13
Page(s)	161-175
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2026. Published by Science Publishing Group

Keywords

3-Sphere, Hopf Fibration, Lie Algebra, Dihedral Angles, Tetrahedral Angles, Six Membered Ring, D-talonic Iminocyclitol

References

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APA Style

Mitan, C., Bartha, E., Filip, P. (2026). 3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid. Science Journal of Chemistry, 14(5), 161-175. https://doi.org/10.11648/j.sjc.20261405.13

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ACS Style

Mitan, C.; Bartha, E.; Filip, P. 3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid. Sci. J. Chem. 2026, 14(5), 161-175. doi: 10.11648/j.sjc.20261405.13

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AMA Style

Mitan C, Bartha E, Filip P. 3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid. Sci J Chem. 2026;14(5):161-175. doi: 10.11648/j.sjc.20261405.13

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@article{10.11648/j.sjc.20261405.13,
  author = {Carmen-Irena Mitan and Emerich Bartha and Petru Filip},
  title = {3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid},
  journal = {Science Journal of Chemistry},
  volume = {14},
  number = {5},
  pages = {161-175},
  doi = {10.11648/j.sjc.20261405.13},
  url = {https://doi.org/10.11648/j.sjc.20261405.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sjc.20261405.13},
  abstract = {Relationships between vicinal ϕ - dihedral θHnHn+1 - tetrahedral φCn angles [deg] under Hopf fibration and Lie algebra theories enable conformational analysis with VISION molecular models on conformational routes that might be followed by six membered ring, i.e. 4C1: 0H5, 0H1, 2H1, 2H3, 4H3, 4H5, 0S2, 3,0B, 3S1, B1,4, 5S1, 2,5B, 2S0, B3,0, 1S3, 1,4B, 1S5, B2,5 of 2,6-dideoxy-2,6-imino-D-talonic acid 1D. Six dihedral angles with cis-, trans-ee, trans-aa stereochemistry calculated from only one vicinal coupling constant 3JHH[Hz] and torus and invers of torus equations, represented on 3-Sphere, a hypersphere in 4D, are restricted by the stereochemistry of sugar, by the combination of dihedral angles along its shape, tetrahedral angles and at list by the distorted boat B or skew S of relaxed 4C1 or 1C4 chair conformations. Dihedral angles at anomeric position calculated from vicinal coupling constant are compared with angles calculated from carbon chemical shift with Euler - Conic manifold. On VISION molecular models are simulated first two conformations B0,3 and B0,3 as etalon, followed by introduction the calculated exocyclic dihedral angles: 1. from dihedral angles calculated only from vicinal coupling constant 3JHH[Hz]: S13 (B0,3), and B0,3 (S20), S31; 2. or from carbon chemical shift δ[ppm] and vicinal coupling constant3JHH[Hz]: S13, B0,3, S20 and S31.},
 year = {2026}
}

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TY  - JOUR
T1  - 3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid
AU  - Carmen-Irena Mitan
AU  - Emerich Bartha
AU  - Petru Filip
Y1  - 2026/10/28
PY  - 2026
N1  - https://doi.org/10.11648/j.sjc.20261405.13
DO  - 10.11648/j.sjc.20261405.13
T2  - Science Journal of Chemistry
JF  - Science Journal of Chemistry
JO  - Science Journal of Chemistry
SP  - 161
EP  - 175
PB  - Science Publishing Group
SN  - 2330-099X
UR  - https://doi.org/10.11648/j.sjc.20261405.13
AB  - Relationships between vicinal ϕ - dihedral θHnHn+1 - tetrahedral φCn angles [deg] under Hopf fibration and Lie algebra theories enable conformational analysis with VISION molecular models on conformational routes that might be followed by six membered ring, i.e. 4C1: 0H5, 0H1, 2H1, 2H3, 4H3, 4H5, 0S2, 3,0B, 3S1, B1,4, 5S1, 2,5B, 2S0, B3,0, 1S3, 1,4B, 1S5, B2,5 of 2,6-dideoxy-2,6-imino-D-talonic acid 1D. Six dihedral angles with cis-, trans-ee, trans-aa stereochemistry calculated from only one vicinal coupling constant 3JHH[Hz] and torus and invers of torus equations, represented on 3-Sphere, a hypersphere in 4D, are restricted by the stereochemistry of sugar, by the combination of dihedral angles along its shape, tetrahedral angles and at list by the distorted boat B or skew S of relaxed 4C1 or 1C4 chair conformations. Dihedral angles at anomeric position calculated from vicinal coupling constant are compared with angles calculated from carbon chemical shift with Euler - Conic manifold. On VISION molecular models are simulated first two conformations B0,3 and B0,3 as etalon, followed by introduction the calculated exocyclic dihedral angles: 1. from dihedral angles calculated only from vicinal coupling constant 3JHH[Hz]: S13 (B0,3), and B0,3 (S20), S31; 2. or from carbon chemical shift δ[ppm] and vicinal coupling constant3JHH[Hz]: S13, B0,3, S20 and S31.
VL  - 14
IS  - 5
ER  -

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Author Information

Carmen-Irena Mitan

Department of Chemistry, Institute of Organic and Supramolecular Chemistry “Costin. D. Nenitescu”, Bucharest, Romania

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http://orcid.org/0000-0002-4790-3122
Emerich Bartha

Department of Chemistry, Institute of Organic and Supramolecular Chemistry “Costin. D. Nenitescu”, Bucharest, Romania

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Petru Filip

Department of Chemistry, Institute of Organic and Supramolecular Chemistry “Costin. D. Nenitescu”, Bucharest, Romania

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APA Style

Mitan, C., Bartha, E., Filip, P. (2026). 3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid. Science Journal of Chemistry, 14(5), 161-175. https://doi.org/10.11648/j.sjc.20261405.13

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ACS Style

Mitan, C.; Bartha, E.; Filip, P. 3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid. Sci. J. Chem. 2026, 14(5), 161-175. doi: 10.11648/j.sjc.20261405.13

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AMA Style

Mitan C, Bartha E, Filip P. 3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid. Sci J Chem. 2026;14(5):161-175. doi: 10.11648/j.sjc.20261405.13

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@article{10.11648/j.sjc.20261405.13,
  author = {Carmen-Irena Mitan and Emerich Bartha and Petru Filip},
  title = {3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid},
  journal = {Science Journal of Chemistry},
  volume = {14},
  number = {5},
  pages = {161-175},
  doi = {10.11648/j.sjc.20261405.13},
  url = {https://doi.org/10.11648/j.sjc.20261405.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sjc.20261405.13},
  abstract = {Relationships between vicinal ϕ - dihedral θHnHn+1 - tetrahedral φCn angles [deg] under Hopf fibration and Lie algebra theories enable conformational analysis with VISION molecular models on conformational routes that might be followed by six membered ring, i.e. 4C1: 0H5, 0H1, 2H1, 2H3, 4H3, 4H5, 0S2, 3,0B, 3S1, B1,4, 5S1, 2,5B, 2S0, B3,0, 1S3, 1,4B, 1S5, B2,5 of 2,6-dideoxy-2,6-imino-D-talonic acid 1D. Six dihedral angles with cis-, trans-ee, trans-aa stereochemistry calculated from only one vicinal coupling constant 3JHH[Hz] and torus and invers of torus equations, represented on 3-Sphere, a hypersphere in 4D, are restricted by the stereochemistry of sugar, by the combination of dihedral angles along its shape, tetrahedral angles and at list by the distorted boat B or skew S of relaxed 4C1 or 1C4 chair conformations. Dihedral angles at anomeric position calculated from vicinal coupling constant are compared with angles calculated from carbon chemical shift with Euler - Conic manifold. On VISION molecular models are simulated first two conformations B0,3 and B0,3 as etalon, followed by introduction the calculated exocyclic dihedral angles: 1. from dihedral angles calculated only from vicinal coupling constant 3JHH[Hz]: S13 (B0,3), and B0,3 (S20), S31; 2. or from carbon chemical shift δ[ppm] and vicinal coupling constant3JHH[Hz]: S13, B0,3, S20 and S31.},
 year = {2026}
}

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TY  - JOUR
T1  - 3-Angles Under 3-Sphere Approach for Conformational Analysis of 2,6-Dideoxy-2,6-Imino-D-Talonic Acid
AU  - Carmen-Irena Mitan
AU  - Emerich Bartha
AU  - Petru Filip
Y1  - 2026/10/28
PY  - 2026
N1  - https://doi.org/10.11648/j.sjc.20261405.13
DO  - 10.11648/j.sjc.20261405.13
T2  - Science Journal of Chemistry
JF  - Science Journal of Chemistry
JO  - Science Journal of Chemistry
SP  - 161
EP  - 175
PB  - Science Publishing Group
SN  - 2330-099X
UR  - https://doi.org/10.11648/j.sjc.20261405.13
AB  - Relationships between vicinal ϕ - dihedral θHnHn+1 - tetrahedral φCn angles [deg] under Hopf fibration and Lie algebra theories enable conformational analysis with VISION molecular models on conformational routes that might be followed by six membered ring, i.e. 4C1: 0H5, 0H1, 2H1, 2H3, 4H3, 4H5, 0S2, 3,0B, 3S1, B1,4, 5S1, 2,5B, 2S0, B3,0, 1S3, 1,4B, 1S5, B2,5 of 2,6-dideoxy-2,6-imino-D-talonic acid 1D. Six dihedral angles with cis-, trans-ee, trans-aa stereochemistry calculated from only one vicinal coupling constant 3JHH[Hz] and torus and invers of torus equations, represented on 3-Sphere, a hypersphere in 4D, are restricted by the stereochemistry of sugar, by the combination of dihedral angles along its shape, tetrahedral angles and at list by the distorted boat B or skew S of relaxed 4C1 or 1C4 chair conformations. Dihedral angles at anomeric position calculated from vicinal coupling constant are compared with angles calculated from carbon chemical shift with Euler - Conic manifold. On VISION molecular models are simulated first two conformations B0,3 and B0,3 as etalon, followed by introduction the calculated exocyclic dihedral angles: 1. from dihedral angles calculated only from vicinal coupling constant 3JHH[Hz]: S13 (B0,3), and B0,3 (S20), S31; 2. or from carbon chemical shift δ[ppm] and vicinal coupling constant3JHH[Hz]: S13, B0,3, S20 and S31.
VL  - 14
IS  - 5
ER  -

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