3-Sphere characteristic angles (θnN with n = 1-6, and ϕnN with n = 1, 2, N = A, B, C, CA, CB) are calculated from NMR data, the differences in chemical shifts between two atoms of carbon ΔδCnCn+1 [ppm] and vicinal coupling constant 3JHnHn+1 [Hz], using I. Graph-flux intensity, Golden ratio of pentagon, II. radio wave, III. Homotopic approach, exploring electromagnetic field of five membered iminocyclitols 1-3. Fibonacci’s numbers calculated with Plank constant h and h-bar are compared and used for determination of the tetrahedral angles. Attempts to obtain the best equation for calculation the energy from carbon chemical shift: the square EP2 = (Δδxω)2xhxNA[Jx10-3xrad/sxmoli] and the cube of frequency EP3 = (Δδxω)3xhxNA[Jxrad/s2xmoli = WattxHzxrad/moli] are compared with Plank-Einstain equation EP1 = ΔδxωxhxNA[Jx10-6xrad/moli]. Continues transformation from torus to rectangle (f), and from rectangle to torus (f-1), is a homotopic process, able to used polyhedron number in rad or radieni (π). The wave character of NMR data shown interesting relationship between angles on 3-Sphere units approach. Bond distances lCnCn+1[A0] of five membered ring iminocyclitols 1, 2 are calculated from dihedral angles θHnHn+1[deg]. Methods for calculation of the vicinal coupling constant 3JHH [Hz] with 3-Sphere – Polar equation – Conic section - Lie algebra - Hopf fibration, are disclosed from the mathematic point of view and in far field from physics electromagnetic radiation point of view.
Published in | Science Journal of Chemistry (Volume 11, Issue 6) |
DOI | 10.11648/j.sjc.20231106.12 |
Page(s) | 212-225 |
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), 2023. Published by Science Publishing Group |
Graph Flux Intensity, Electromagnetic Wave, Vicinal Coupling Constant 3JHH [Hz], 3-Sphere, Hopf Fibration, Conic Section, Rectangle, Carnot’s Theorem, Homotopic
[1] | C.-I. Mitan, E. Bartha, P. Filip, Topology on nature: isomerization of five membered ring tetrahedral angles, Science Journal of Chemistry 2023, 11 (4), 146; SciencePG, DOI: 10.11648/j.sjc.20231104.12. |
[2] | C.-I. Mitan, E. Bartha, C. Draghici, M.-T. Caproiu, P. Filip, R. M. Moriarty, Hopf fibration on relationship between dihedral angle θHnHn+1[deg] and vicinal angle ϕ[deg], Angles calculated from NMR data with 3-Sphere approach and Java Script, Science Journal of Chemistry 2022, 10 (1), 21; SciencePG, DOI: 10.11648/j.sjc.20221001.13. |
[3] | C.-I. Mitan, E. Bartha, C. Draghici, M. T. Caproiu, P. Filip, R. M. Moriarty, Tetrahedral angles of five membered ring iminocyclitols with ribitol stereochemistry beyond the dihedral angles, Rev. Roum. Chim. 2022, 67 (3), 165; DOI: 10.33224/rrch.2022.67.3.04. |
[4] | C.-I. Mitan, E. Bartha, P. Filip, Relationship between tetrahedral and dihedral on hypersphere coordinates, Rev. Roum. Chim. 2023, 68 (5-6), 261; DOI: 10.33224/rrch.2023.68.5-6.09. |
[5] | C.-I. Mitan, E. Bartha, P. Filip, Tetrahedral angles of six membered ring calculated from NMR data with 3-Sphere approach, Rev. Roum. Chim. 2023, 68 (5-6), 269; DOI: 10.33224/rrch.2023.68.5-6.10. |
[6] | E. Bartha, C.-I. Mitan, C. Draghici, M. T. Caproiu, P. Filip, L. Tarko, R. M. Moriarty, Program for prediction dihedral angle from vicinal coupling constant with 3-Sphere approach, Rev. Roum. Chim. 2021, 66 (2), 179; DOI: 10.33224/rrch.2021.66.2.08. |
[7] | C.-I. Mitan, E. Bartha, P. Filip, C. Draghici, M.-T. Caproiu, R. M. Moriarty, Manifold inversion on prediction dihedral angle from vicinal coupling constant with 3-Sphere approach, Rev. Roum. Chim., 2023, 68 (3-4), 185; DOI: 10.33224/rrch.2023.68.3-4.08. |
[8] | C.-I. Mitan, R. M. Moriarty, P. Filip, E. Bartha, C. Draghici, M. T. Caproiu, Relationships between vicinal constant couplings 3JHH, 1H and 13C-chemical shifts and torsional angles, 257th ACS National Meeting in Orlando, Florida, March 31- April 4, 2019, ANYL 93. Publisher: American Chemical Society, Washington, D. C. |
[9] | E. Bartha, C.-I. Mitan, C. Draghici, M. T. Caproiu, P. Filip, R. M. Moriarty, Rectangle as manifold on relationships between vicinal constant couplings 3JHH, 1H, 13C-chemical shifts and dihedral angles, Rev. Roum. Chim. 2022, 67 (3), 171; DOI: 10.33224/rrch.2022.67.3.05. |
[10] | C.-I. Mitan, E. Bartha, P. Filip, C. Draghici, M. T. Caproiu, R. Moriarty, NMR data and 3-sphere approach on calculation dihedral angles of iminocyclitols with Java Script, ACS National Meeting, 5 – 30 April 2021, Live virtual events Macromolecular chemistry: the second century. ANYL ID: 3549263, oral presentation - April 14, 2021, 09:21am-09:39am USA/Canada - Pacific; oral presentation available on demand from April 19 – 30, 39 pag. Publisher: American Chemical Society, Washington, D. C.; doi.org/10.1021/scimeetings.1c00834. |
[11] | C.-I. Mitan, E. Bartha, P. Filip, Hyperspherecoordinates on calculation of the dihedral angles from carbon chemical shift, Symposium of International Chemistry Engineering and Materials (SICHEM) 2022, 17, 18 November 2022, Bucharest, Romania, 29 pag, ISSN 2537-2254, SB OP004, 71, edited by SICR and Matrix Rom. |
[12] | C.-I. Mitan, E. Bartha, P. Filip, Hypersphere coordinates on calculation of the dihedral angles from carbon chemical shift, Bulletin of Romanian Chemical Engineering Society 2022, 9 (2), 151; ISSN 2360-4697. |
[13] | R. M. Moriarty, C.-I. Mitan, B. Gu, T. Block, Hypersphere and antiviral activity of three alkyl chain iminocyclitols with D and L ribitol stereochemistry, American Journal of Heterocyclic Chemistry 2023, 9 (1), 9; doi: 10.11648/j.ajhc.20230901.12. |
[14] | www.wikipedia/Hopf coordinates/Hopf fibration/Carnot theorem/homotopy/.[accessed around 2016 - 2023] |
[15] | C.-I. Mitan, E. Bartha, P. Filip, C. Draghici, M. T. Caproiu, R. M. Moriarty, Dihedral angles calculated with 3-Sphere approach as integer in conformational analysis on D-, L-ribitol series, Rev. Roum. Chim. 2022, 66 (21), 941, DOI: 10.33224/rrch.2021.66.12.07. |
[16] | E. Bartha, C.-I. Mitan, P. Filip, 3-Sphere torsional angles and six membered ring conformation, American Journal of Quantum Chemistry and Molecular Spectroscopy 2023, 7 (1), 9, SciencePG: doi: 10.11648/j.ajqcms.20230701.12. |
[17] | C. Altona, M. Sundaralingam, Conformational analysis of the sugar ring in nucleosides and nucleotides. New description using concept of pseudorotation, J. Am. Chem. Soc. 1972, 94, 8205; doi.org/10.1021/ja00778a043. |
[18] | C.-I. Mitan, R. Moriarty, P. Filip, E. Bartha, M. T. Caproiu, C. Draghici, Conformational analysis on five membered ring by Nuclear Magnetic Resonance Spectroscopy. Relationships between constant couplings 3JHH, chemical shifts and dihedral angles, 256 ACS National Meeting in Boston, MA, August 19-23, 2018, CARB 84, morressier 51 pag. Publisher: American Chemical Society, Washington, D. C. |
[19] | C.-I. Mitan, E. Bartha, P. Filip, C. Draghici, M. T. Caproiu, R. M. Moriarty, NMR data on conformational analysis of five and six membered ring under 3-sphere approach. Vicinal constant coupling 3JHH on relationships between dihedral angles and tetrahedral angles, ACS National Meeting in Chicago, IL, August 21- 25, 2022, CARB 3717557, 23 august 2022, 37 pag. Publisher: American Chemical Society, Washington, D. C.; doi.org/10.1021/scimeetings.2c00876. |
[20] | R. M. Moriarty, C. I. Mitan, N. Branza-Nichita, K. R. Phares, D. Parrish, exo-Imino to endo-Iminocyclitol rearrangement. A general route to five membered antiviral azasugars, Org. Lett. 2006, 8, 3465; doi:10.1021/ol061071r. |
[21] | www.britanica.com/science/.[accessed around September 2023] |
[22] | F. A. L. Anet, S. S. Miura, J. Siegel, L. Mislow, La coupe du roi and its relevance to stereochemistry. Combination of two homochiral molecules to give an achiral product, J. Am. Chem. Soc. 1983, 1419; doi.org/10.1021/ja00344a003. |
[23] | J. P. Davis, P. A. Hart, A nuclear overhauser effect study of purine nucleoside glycosyl conformation in solution, Tetrahedron 1972, 2883; doi.org/10.1016/0040-4020(72)80002-4. |
[24] | C.-I. Mitan, E. Bartha, C. Draghici, M. T. Caproiu, F. Petru, L. Tarko, R. Moriarty, Dihedral angles beyond unit with seven sets on 3-sphere approach, ACS National Meeting, San Francisco, CA, 16-20 August 2020, ANYL 22, ID: 3396478, virtual – oral presentation Monday 17 - 20 aug 2020 (8.00AM – 2h 40 minutes), posted on Moriset, 32 pag. Publisher: American Chemical Society, Washington, D. C. DOI: 10.1021/scimeetings.Oc06576. |
[25] | C.-I. Mitan, E. Bartha, F. Petru, C. Draghici, M. T. Caproiu, R. Moriarty, Relationships between vicinal constant couplings 3JHH, 1H and 13C-chemical shifts and torsional angles, 257th ACS National Meeting in Orlando, Florida, March 31- April 4, 2019, Sci-Mix ANYL 392. Publisher: American Chemical Society, Washington, D. C. |
[26] | C.-I. Mitan, E. Bartha, C. Draghici, M. T. Caproiu, P. Filip, R. M. Moriarty, Hopf fibration and Huchel theories on torsional angles, 257th ACS National Meeting in Orlando, Florida, March 31- April 4, 2019, CARB 39. Publisher: American Chemical Society, Washington, D. C. |
[27] | L. Ornea, M. Parton, P. Piccinni, V. Vulturescu, Spin(9) geometry of the octonionic Hoft fibration, arXiV: 1208.0899v2 [math.DG] 8Jul 2013. |
[28] | C.-I. Mitan, E. Bartha, A. Hîrtopeanu, C. Stavarache, C. Draghici, M. T. Caproiu, M. Maganu, P. Filip, Configurational and conformational analysis of 5-deoxy-5-iodo-α,β-D-ribose with 3-Sphere approach, American Journal of Quantum Chemistry and Molecular Spectroscopy 2023, 7 (1), 1. SciencePG: doi: 10.11648/j.ajqcms.20230701.11. |
[29] | A. G. Evdokimov, A. J. Kalb(Gilboa), T. F. Koetzle, W. T. Klooster, J. M. L. Martin, Structures of Furanosides: Densiy functional calculations and high-resolution X-ray and neutron diffraction ctystal structures, J. Phys. Chem. A 1999, 103, 744; doi: 10.1021/jp9837840. |
APA Style
Mitan, C., Bartha, E., Filip, P., Caproiu, M., Draghici, C., et al. (2023). Graph Flux Intensity and Electromagnetic Wave on 3-sphere Approach. Science Journal of Chemistry, 11(6), 212-225. https://doi.org/10.11648/j.sjc.20231106.12
ACS Style
Mitan, C.; Bartha, E.; Filip, P.; Caproiu, M.; Draghici, C., et al. Graph Flux Intensity and Electromagnetic Wave on 3-sphere Approach. Sci. J. Chem. 2023, 11(6), 212-225. doi: 10.11648/j.sjc.20231106.12
AMA Style
Mitan C, Bartha E, Filip P, Caproiu M, Draghici C, et al. Graph Flux Intensity and Electromagnetic Wave on 3-sphere Approach. Sci J Chem. 2023;11(6):212-225. doi: 10.11648/j.sjc.20231106.12
@article{10.11648/j.sjc.20231106.12, author = {Carmen-Irena Mitan and Emerich Bartha and Petru Filip and Miron-Teodor Caproiu and Constantin Draghici and Robert Michael Moriarty}, title = {Graph Flux Intensity and Electromagnetic Wave on 3-sphere Approach}, journal = {Science Journal of Chemistry}, volume = {11}, number = {6}, pages = {212-225}, doi = {10.11648/j.sjc.20231106.12}, url = {https://doi.org/10.11648/j.sjc.20231106.12}, eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sjc.20231106.12}, abstract = {3-Sphere characteristic angles (θnN with n = 1-6, and ϕnN with n = 1, 2, N = A, B, C, CA, CB) are calculated from NMR data, the differences in chemical shifts between two atoms of carbon ΔδCnCn+1 [ppm] and vicinal coupling constant 3JHnHn+1 [Hz], using I. Graph-flux intensity, Golden ratio of pentagon, II. radio wave, III. Homotopic approach, exploring electromagnetic field of five membered iminocyclitols 1-3. Fibonacci’s numbers calculated with Plank constant h and h-bar are compared and used for determination of the tetrahedral angles. Attempts to obtain the best equation for calculation the energy from carbon chemical shift: the square EP2 = (Δδxω)2xhxNA[Jx10-3xrad/sxmoli] and the cube of frequency EP3 = (Δδxω)3xhxNA[Jxrad/s2xmoli = WattxHzxrad/moli] are compared with Plank-Einstain equation EP1 = ΔδxωxhxNA[Jx10-6xrad/moli]. Continues transformation from torus to rectangle (f), and from rectangle to torus (f-1), is a homotopic process, able to used polyhedron number in rad or radieni (π). The wave character of NMR data shown interesting relationship between angles on 3-Sphere units approach. Bond distances lCnCn+1[A0] of five membered ring iminocyclitols 1, 2 are calculated from dihedral angles θHnHn+1[deg]. Methods for calculation of the vicinal coupling constant 3JHH [Hz] with 3-Sphere – Polar equation – Conic section - Lie algebra - Hopf fibration, are disclosed from the mathematic point of view and in far field from physics electromagnetic radiation point of view. }, year = {2023} }
TY - JOUR T1 - Graph Flux Intensity and Electromagnetic Wave on 3-sphere Approach AU - Carmen-Irena Mitan AU - Emerich Bartha AU - Petru Filip AU - Miron-Teodor Caproiu AU - Constantin Draghici AU - Robert Michael Moriarty Y1 - 2023/11/21 PY - 2023 N1 - https://doi.org/10.11648/j.sjc.20231106.12 DO - 10.11648/j.sjc.20231106.12 T2 - Science Journal of Chemistry JF - Science Journal of Chemistry JO - Science Journal of Chemistry SP - 212 EP - 225 PB - Science Publishing Group SN - 2330-099X UR - https://doi.org/10.11648/j.sjc.20231106.12 AB - 3-Sphere characteristic angles (θnN with n = 1-6, and ϕnN with n = 1, 2, N = A, B, C, CA, CB) are calculated from NMR data, the differences in chemical shifts between two atoms of carbon ΔδCnCn+1 [ppm] and vicinal coupling constant 3JHnHn+1 [Hz], using I. Graph-flux intensity, Golden ratio of pentagon, II. radio wave, III. Homotopic approach, exploring electromagnetic field of five membered iminocyclitols 1-3. Fibonacci’s numbers calculated with Plank constant h and h-bar are compared and used for determination of the tetrahedral angles. Attempts to obtain the best equation for calculation the energy from carbon chemical shift: the square EP2 = (Δδxω)2xhxNA[Jx10-3xrad/sxmoli] and the cube of frequency EP3 = (Δδxω)3xhxNA[Jxrad/s2xmoli = WattxHzxrad/moli] are compared with Plank-Einstain equation EP1 = ΔδxωxhxNA[Jx10-6xrad/moli]. Continues transformation from torus to rectangle (f), and from rectangle to torus (f-1), is a homotopic process, able to used polyhedron number in rad or radieni (π). The wave character of NMR data shown interesting relationship between angles on 3-Sphere units approach. Bond distances lCnCn+1[A0] of five membered ring iminocyclitols 1, 2 are calculated from dihedral angles θHnHn+1[deg]. Methods for calculation of the vicinal coupling constant 3JHH [Hz] with 3-Sphere – Polar equation – Conic section - Lie algebra - Hopf fibration, are disclosed from the mathematic point of view and in far field from physics electromagnetic radiation point of view. VL - 11 IS - 6 ER -