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Recent Publications of Cecil Dybowski

197.          Catalano, J.; Murphy, A.; Yao, Y.; Yap, G. P. A.; Zumbulyadis, N.; Centeno, S. A.; Dybowski, C.  Coordination Geometry of Lead Carboxylates – Spectroscopic and Crystallographic Evidence.  J. Chem. Soc., Dalton Transactions 2015, 44, 2340 – 2347.  DOI:  10.1039/c4dt03075c.

198.          Alkan, F.; Dybowski, C. Chemical-Shift Tensors of Heavy Nuclei in Network Solids: A DFT/ZORA Investigation of 207Pb Chemical-Shift Tensors Using the Bond-Valence Method. Phys. Chem. Chem. Phys. 2015, 17, 25014 – 25026.  DOI: 10.1039/c5cp03348a.

199.          Holmes, S. T.; Dybowski, C. Carbon-13 Chemical-Shift Tensors in Indigo: A Two-Dimensional NMR-ROCSA and DFT Study. Solid State Nucl. Magn. Reson. 2015, 72, 90 – 95.  DOI: 10.1016/j.ssnmr.2015.08.004.

200.          Holmes, S. T.; Iuliucci, R. J.; Mueller, K. T.; Dybowski, C.  Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids. J. Chem. Theory Comput.  2015, 11, 5229 – 5251.  DOI: 10.1021/acs.jctc.5b00752.

201.          Alkan, F.; Dybowski, C.  Effect of Co-ordination Chemistry and Oxidation State on the 207Pb Magnetic Shielding Tensor:  A DFT/ZORA Investigation.  J. Phys. Chem. A 2016, 120, 161 – 168.  DOI: 101021/acs.jpca.5b10991.

202.          Dybowski, C.  Nuclear Magnetic Resonance and Electron Spin Resonance: Introduction.  In Encyclopedia of Analytical Chemistry; Meyers, R. A., Ed.; John Wiley: Chichester, England, 2016.   DOI: 10.1002/9780470027318.a6101.pub3.

203.          Chen-Wiegart, Y.-C.; Williams, G.; Zhao, C.; Jiang, H.; Li, L.; Demkowicz, M.; Seita, M.; Short, M.; Wada, T.; Kato, H.; Chou, K. W.; Petrash, S.;Catalano, J.; Yao, Y.; Murphy, A.; Zumbulyadis, N; Centeno, S. A.; Dybowski, C.; Thieme, J.  Early Science Commissioning Results of the Sub-micron Resolution X-ray Spectroscopy Beamline (SRX) in the Field of Materials Science and Engineering.  In Proceedings of the Twenty-third International Conference on X-ray Optics and Microanalysis, Brookhaven National Laboratory, 2015.  DOI:  10.1063/1/4961138.

204.          Alkan, F.; Small, T.; Bai, S.; Dominowski, A.; Dybowski, C. Ion Pairing in H2O and D2O Solutions of Lead Nitrate, as Determined with 207Pb NMR Spectroscopy.  J. Struct. Chem. 2016, 57, 401 – 407.  DOI:  10.15372/JSC20160220.

205.          Holmes, S. T.; Alkan, F.; Iuliucci, R. J.; Mueller, K. T.; Dybowski, C.  Analysis of the Bond-Valence Method for Calculating 29Si and 31P Magnetic Shielding in Covalent Network Solids. J. Comput. Chem. 2016, 37, 1704 – 1710. DOI: 10.1002/jcc.24389.

206.          Dybowski, C.; Glatfelter, A.; Cheng, H. N. NMR Methods, 13C. In Encyclopedia of Spectroscopy and Spectrometry; Lindon, J. C., Transter, G. E., Koppenaal, D. W., Eds.; Elsevier: Waltham, MA, 2016.  DOI:  10.1016/B978-0-12-409547-2.05088-5.

207.          Alkan, F.; Holmes, S. T.; Iuliucci, R. J.; Mueller, K. T.; Dybowski, C. Spin-Orbit Effects on the 119Sn Magnetic-Shielding Tensor in Solids: A ZORA/DFT Investigation. Phys. Chem. Chem. Phys. 2016, 18, 18914 - 18922.  DOI: 10.1039/C6CP03807G.

208.          Catalano, J.; Murphy, A.; Yao, Y.; Zumbulyadis, N.; Centeno, S.; Dybowski, C.  Understanding the Dynamics and Structure of Lead Soaps in Oil Paintings Using Multinuclear NMR.  In Metal Soaps in Art: Conservation and Research; Casadio, F.; Keune, K.; Noble, P.; van Loon, A.; Hendriks, E.; Centeno, S.; Osmond, G., Eds.; Springer: Heidelberg, 2019.  DOI: 10.1007/978-3-319-90617-1.

209.          Holmes, S. T.; Bai, S.; Iuliucci, R. J.; Mueller, K. T.; Dybowski, C.  Calculations of Solid-State 43Ca NMR Parameters: A Comparison of Periodic and Cluster Approaches and an Evaluation of DFT Functionals.  J. Comput. Chem. 2017, 38, 949 – 956.  DOI:  10.1002/jcc.24763.

210.          Holmes, S. T.; Iuliucci, R. J.; Mueller, K.T.; Dybowski, C.  Semi-empirical Refinement of Crystal Structures Using 17O Quadrupolar-Coupling Tensors.  J. Chem. Phys. 2016, 146, 064201.  DOI: 10.1063/1.4975170.

211.          Kobayashi, T.; Perras, F. A.; Murphy, A.; Yao, Y.; Catalano, J.; Centeno, S. A.; Dybowski, C.; Zumbulyadis, N.; Pruski, M. DNP-Enhanced Ultrawideline 207Pb Solid-State NMR Spectroscopy: An Application to Cultural Heritage Science. J. Chem. Soc., Dalton Trans. 2017, 46, 3535 – 3540.  DOI: 10.1039/c7dt00182g.

212.          Chen,-Wiegart, Y,; Catalano, J.; Williams, G.; Murphy, A.; Yao, Y.; Zumbulyadis, N.; Centeno, S.; Dybowski, C.; Thieme, J.  Elemental and Molecular Segregation in Oil Paintings due to Lead Soap Degradation.  Nature Sci. Rep. 2017, 7, 11656.  DOI: 10.1038/s41598-017-11525-1.

213.          Dybowski, C. Characterization of Materials with NMR Spectroscopy.  In Sterochemistry and Global Connectivity: The Legacy of Ernest Eliel; American Chemical Society: Washington, DC, 2018, Vol. 2, Ch. 9, pp134 – 160. DOI: 10.1021/bk-2017-1258.ch009.

214.          Alkan, F.; Holmes, S. T.; Dybowski, C. The Role of Exact Exchange and Relativistic Approximations in Calculating 19F Magnetic Shielding in Solids.  J. Chem. Theory Comput. 2017, 13, 4741 – 4752.  DOI: 10.1021/acs.jctc.7b00555.

215.          Catalano, J.; Murphy, A.; Yao, Y; Zumbulyadis, N.; Centeno, S.; Dybowski, C. Molecular Dynamics of Palmitic Acid and Lead Palmitate in Cross-Linked Linseed Oil Films:  Implications from Deuterium Magnetic Resonance. Solid State Nucl. Magn. Reson. 2018, 89, 21- 26.  DOI:10.1016/j.ssnmr.2017.12.003.

216.          Lu, M.; Sarkar, S.; Wang,M.; Kraus, J.; Fritz, M.; Quinn, C. M.; Holmes, S. T.; Dybowski, C.; Struppe, J.; Sergeyev, I. A.; Maas, W.; Gronenborn, A. M.; Polenova, T. 19F Magic Angle Spinning NMR Spectroscopy and Density Functional Theory Calculations of Fluorosubstituted Tryptophans: Integrating Experiment and Theory for Accurate Determination of Chemical Shift Tensors. J. Phys. Chem. B. 2018, 122, 6148 – 6155.  DOI:10.1021/acs.jpcb.8b000377.

217.          Alkan, F.; Dybowski, C. Spin-Orbit Effects on the 125Te Magnetic-Shielding Tensor: A Cluster-Based ZORA/DFT Investigation. Solid State Nucl. Magn. Reson. 2018, 95, 6 – 11.   DOI:10.1016/j.ssnmr.2018.08.005.

218.          Holmes, S. T.; Wang, W. D.; Hou, G.; Dybowski, C.; Wang, W.; Bai, S. A New NMR Crystallographic Approach to Reveal Calcium Local Structure of Atorvastatin Calcium. Phys. Chem. Chem. Phys. 2019, 21, 6319-6326.  DOI: 10.1039/c8cp07673a.

219.          Bai, S.; Quinn, C. M.; Holmes, S. T.; Dybowski, C. High-Resolution 13C and 43Ca Solid-State NMR and Computational Studies of the Ethylene Glycol Solvate of Atorvastatin Calcium.  Magn. Reson. Chem. 2020, 58, 1010 - 1017.  DOI:10.1002/mrc.4937.

220.          Di Tullio, V.; Zumbulyadis, N.; Centeno, S. A.; Catalano, J.: Wagner, M.; Dybowski, C. Water Diffusion and Transport in Oil Paints as Studied by Unilateral NMR and 1H High-Resolution MAS-NMR Spectroscopy: Implications for Lead Soap Deterioration in Works of Art. ChemPhysChem 2020, 21, 113 – 119.  DOI: 10.1002/chpc201900858.

221.          DiTullio, V.; Catalano, J.; Wagner, M.; Zumbulyadis, N.; Centeno, S. A.; Dybowski, C.  Review of the Use of NMR Spectroscopy to Investigate Structure, Reactivity, and Dynamics of Lead Soap Formation in Paintings. Magn. Reson. Chem. 2020, 58, 799 - 811.  DOI: 10.1002/mrc.5025.

222.          Liu, X.; DiTullio, V.; Lin, Y.-C.; DeAndrade, V.; Zhao, C.-H.; Wagner, M.; Zumbulyadis, N.; Dybowski, C.; Centeno, S. A.; Wiegart, Y.-C.  Nano- to Microscale Three-Dimensional Morpholy Relevant to Transport Properties in Reactive Porous Composite Paint Films. Sci. Rep. 2020, 10, 18320.  DOI:  10.1038/s41598-020-75040-6.

197.          Holmes, S. T.; Alkan, F.; Dybowski, C. Advances in the Computation of NMR Parameters for Inorganic Nuclides. In Comprehensive Inorganic Chemistry III; Bryce, D., Ed.; Canadian Institute of Chemistry: Ottawa, Ontario, 2021; in press.

198.          Dybowski, C.; Teplyakov, A. V. Essential Data and Equations for a Course in Physical Chemistry, 3rd Edition; D & T Publishing: Newark, Delaware, 2021; ISBN-13 978-0-578-90215-9.

199.          Holmes, S. T.; Dybowski, C.  Carbon-13 Chemical-Shift Tensors in Indigo: A Two-Dimensional NMR-ROCSA and DFT Study.  Solid State Nucl. Magn. Reson. 2015, 72, 90 – 95.  DOI: 10.1016/j.ssnmr.2015.08.004.

200.          Holmes, S. T.; Iuliucci, R. J.; Mueller, K. T.; Dybowski, C. Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids. J. Chem. Theory Comput. 2015, 11, 5229 – 5241.  DOI: 10.1021/acs.jctc.5b00752.

201.          Alkan, F.; Dybowski, C.  Effect of Co-ordination Chemistry and Oxidation State on the 207Pb Magnetic Shielding Tensor:  A DFT/ZORA Investigation.  J. Phys. Chem. A 2016, 120, 161 – 168.  DOI: 10.1021/acs.jpca/5b10991.

202.          Dybowski, C.  Nuclear Magnetic Resonance and Electron Spin Resonance: Introduction.  In Encyclopedia of Analytical Chemistry; Meyers, R. A., Ed.; John Wiley: Chichester, England, 2016.  DOI: 10.1002/9780470027318.a6101.pub3.

203.          Chen-Wiegart, Y.-C.; Williams, G.; Zhao, C.; Jiang, H.; Li, L.; Demkowicz, M.; Seita, M.; Short, M.; Wada, T.; Kato, H.; Chou, K. W.; Petrash, S.;Catalano, J.; Yao, Y.; Murphy, A.; Zumbulyadis, N; Centeno, S. A.; Dybowski, C.; Thieme, J.  Early Science Commissioning Results of the Sub-micron Resolution X-ray Spectroscopy Beamline (SRX) in the Field of Materials Science and Engineering. In ICXOM23 – International Conference on X-Ray Optics and Microanalysis: 23rd International Congress on X-Ray Optics and Microanalysis; Thieme, J., Siddons, D. P., Eds.; AIP: New York, 2016; 1764, 030004.  DOI:  10.1063/1/4961138.

204.          Alkan, F.; Small, T.; Bai, S.; Dominowski, A.; Dybowski, C.  Ion Pairing in H2O and D2O Solutions of Lead Nitrate, as Determined with 207Pb NMR Spectroscopy. J. Struct. Chem. 2016, 57, 369 – 375.  DOI:  10.1134/S0022476616020189.

205.          Holmes, S. T.; Alkan, F.; Iuliucci, R. J.; Mueller, K. T.; Dybowski, C.  Analysis of the Bond-Valence Method for Calculating 29Si and 31P Magnetic Shielding in Covalent Network Solids.  J. Comput. Chem. 2016, 37, 1704 – 1710.  DOI:  10.1002/jcc.24389.

206.          Dybowski, C.; Glatfelter, A.; Cheng, H. N. NMR Methods, 13C. In Encyclopedia of Spectroscopy and Spectrometry, Third Edition; Lindon, J. C., Tranter, G. E., Koppenaal, D. W., Eds.; Academic Press: Oxford, 2017; pp 146 – 153.  DOI:10.1016/B978-0-12-409547-2.05088-5.

207.          Alkan, F.; Holmes, S. T.; Iuliucci, R. J.; Mueller, K. T.; Dybowski, C. Spin-Orbit Effects on the 119Sn Magnetic-Shielding Tensor in Solids: A ZORA/DFT Investigation. Phys. Chem. Chem. Phys. 2016, 18, 18914 – 18922.  DOI: 10.1039/C6CP03807G.

208.          Catalano, J.; Murphy, A.; Yao, Y.; Zumbulyadis, N.; Centeno, S.; Dybowski, C.  Understanding the Dynamics and Structure of Lead Soaps in Oil Paintings Using Multinuclear NMR.  Chapter 4 in Metal Soaps in Art: Conservation and Research; Casadio, F.; Keune, K.; Noble, P.; van Loon, A.; Hendriks, E.; Centeno, S.; Osmond, G., Eds.; Springer: Heidelberg, 2019.  DOI: 10.1007/978-3-319-90617-1.

209.          Holmes, S. T.; Bai, S.; Iuliucci, R. J.; Mueller, K. T.; Dybowski, C.  Calculations of Solid-State 43Ca NMR Parameters: A Comparison of Periodic and Cluster Approaches and an Evaluation of DFT Functionals. J. Comput. Chem. 2017, 38, 949 – 956. DOI: 10,1002/jcc.24763.

210.          Holmes, S. T.; Iuliucci, R. J.; Mueller, K.T.; Dybowski, C.  Semi-empirical Refinement of Crystal Structures Using 17O Quadrupolar-Coupling Tensors.  J. Chem. Phys. 2017, 146, 064201.  DOI: 10.1063/1.4975170.

211.          Kobayashi, T.; Perras, F. A.; Murphy, A.; Yao, Y.; Catalano, J.; Centeno, S. A.; Dybowski, C.; Zumbulyadis, N.; Pruski, M. DNP-Enhanced Ultrawideline 207Pb Solid-State NMR Spectroscopy: An Application to Cultural Heritage Science. J. Chem. Soc., Dalton Trans. 2017, 46, 3535 – 3540.   DOI: 10.1039/c7dt00182g.

212.          Chen-Wiegart, Y.; Catalano, J.; Williams, G.; Murphy, A.; Yao, Y.; Zumbulyadis, N.; Centeno, S.; Dybowski, C.; Thieme, J.  Elemental and Molecular Segregation in Oil Paintings due to Lead Soap Degradation.  Nature Sci. Rep. 2017, 7, 11656.  DOI:  10.1038/s41598-017-11525-1.

213.          Dybowski, C. Characterization of Materials with NMR Spectroscopy. In Stereochemistry and Global Connectivity: The Legacy of Ernest Eliel; Cheng, H. N., Maryanoff, C. A., Miller, B. D., Schmidt D. G. Eds.; ACS Symposium Series 1285; American Chemical Society: Washington, DC, 2017, Volume 2, Chapter 9, pp 134 – 160. DOI: 10.1021/bk-2017-1258.

214.          Alkan, F.; Holmes, S. T.; Dybowski, C.  The Role of Exact Exchange and Relativistic Approximations in Calculating 19F Magnetic Shielding in Solids Using the Cluster Ansatz.  J. Chem. Theory Comput. 2017, 13, 4741 – 4752.  DOI: 10.1021/acs.jctc.7b00555.

215.          Catalano, J.; Murphy, A.; Yao, Y.; Zumbulyadis, N.; Centeno, S.; Dybowski, C.  Molecular Dynamics of Palmitic Acid and Lead Palmitate in Cross-Linked Linseed Oil Films:  Implications from Deuterium Magnetic Resonance for Lead Soap Formation in Traditional Oil Paintings. Solid State Nucl. Magn. Reson. 2018, 89, 21 – 26.  DOI: 10.1016/j.ssnmr.2017.12.003.

216.          Lu, M.; Sarkar, S.; Wang, M.; Kraus, J.; Fritz, M.; Quinn, C.; Bai, S.; Holmes, S. T.; Dybowski, C.; Yap, G. P. A.; Struppe, J.; Sergeyev, I. A.; Maas, W.; Gronenborn, A. M.; Polenova, T. 19F Magic Angle Spinning NMR Spectroscopy and Density Functional Theory Calculations of Fluorosubstituted Tryptophans: Integrating Experiment and Theory for Accurate Determination of Chemical Shift Tensors.  J. Phys. Chem. B. 2018, 122, 6148 –

6155.  DOI:  10.1021/acs.jpcb.8b000377.

217.          Alkan, F.; Dybowski, C.  Spin-Orbit Effects on the 125Te Magnetic-Shielding Tensor: A Cluster-Based ZORA/DFT Investigation.  Solid State Nucl. Magn. Reson.  2018, 95, 6 – 11.  DOI:  10.1016/j.ssnmr.2018.08.005.

218.          Holmes, S. T.; Wang, W. D.; Hou, G.; Dybowski, C.; Wang, W.; Bai, S. A New NMR Crystallographic Approach to Reveal Calcium Local Structure of Atorvastatin Calcium. Phys. Chem. Chem. Phys. 2019, 21, 6319 - 6326.  DOI: 10.1039/c8cp07673a.

219.          Bai, S.; Quinn, C. M.; Holmes, S. T.; Dybowski, C.  High-Resolution 13C and 43Ca Solid-State NMR and Computational Studies of the Ethylene Glycol Solvate of Atorvastatin Calcium. Magn. Reson. Chem. 2020, 58, 1010 – 1017.  DOI:  10.1002/mrc.4937.

220.          DiTullio, V.; Zumbulyadis, N.; Centeno, S. A.; Catalano, J.; Wagner, M.; Dybowski, C.  Water Diffusion and Transport in Oil Paints as Studied by Unilateral NMR and 1H High-Resolution MAS-NMR Spectroscopy. ChemPhysChem 2020, 21, 113 – 119.  DOI: 10.1002/cphc.201900858.

221.          DiTullio, V.; Catalano, J.; Wagner, M.; Zumbulyadis, N.; Centeno, S. A.; Dybowski, C.  Review of the Use of NMR Spectroscopy to Investigate Structure, Reactivity, and Dynamics of Lead Soap Formation in Paintings. Magn. Reson. Chem. 2020, 58, 799 – 811.  DOI: 10.1002/mrc.5025.

222.          Liu, X.; DiTullio, V.; Lin, Y.-C.; DeAndrade, V.; Zhao, C.-H.; Wagner, M.; Zumbulyadis, N.; Dybowski, C.; Centeno, S. A.; Wiegart, Y.-C. Nano- to Microscale Three-Dimensional Morphology Relevant to Transport Properties in Reactive Porous Composite Paint Films. Nature Sci. Rep. 2020, 10, 18320.  DOI:10.1038/s41598-020-75040-6.

223.          Holmes, S. T.; Alkan, F.; Dybowski, C. Advances in the Computation of NMR Parameters for Inorganic Nuclides. In Comprehensive Inorganic Chemistry III; Bryce, D., Ed.; Elsevier: Amsterdam, 2021; in press.

224.          Dybowski, C.; Teplyakov, A. V. Essential Data and Equations for a Course in Physical Chemistry, 3rd Edition; D & T Publishing: Newark, Delaware, 2021; ISBN-13 978-0-578-90215-9.

225.          Wagner, M.; Catalano, J.; di Tullio, V.; Pigliapochi, R.; Zumbulyadis, N.; Centeno, S. A.; Dybowski, C. Applications of NMR Spectroscopy in Cultural Heritage Science. In Comprehensive Inorganic Chemistry III; Bryce, D., Ed.; Elsevier: Amsterdam, 2021; in press.

226.          Wagner, M.; Pigliapochi, R.; DiTullio, V.; Catalano, J.; Zumbulyadis, N.; Centeno S. A.; Gan. Z.; Hung, I.; Wang, X.; Chen, K.; Dybowski, C. Natural Abundance 67Zn NMR Spectroscopy of Zinc Soaps. Dalton Trans. 2022, in preparation.

227.          DiTullio, V. et al. Dynamics of Diffusion, Evaporation, and Retnetion of Organic Solvents in Paints: An Analytical Model by Portable NMR and HR-MAS NMR Spectroscopy.  J. Phys. Chem. 2022, in preparation.

For Cecil Dybowski’s complete list of publications, please click here.

Other Publications

Dybowski, C. Music. In Songs of Youth, American Poetry Press, Los Angeles, 1965.

Dybowski, C. Research as a Tool for Graduate Education in Chemistry and Biochemistry. About Teaching, No. 46, January, 1994.

Dybowski, C.  Reaction to “Something Might Be Gaining on Us.”  Journal of Chemical Education 2005 82, 210 – 211.

Dybowski, C.  Jacek Klinowski. Solid State Nuclear Magnetic Resonance 2011 39, 21.

Dybowski, C.  EAS 2012, Energizing Analytical Solutions.  American Laboratory 2012 44 (8), 6 – 8.

Dybowski, C.  Eastern Analytical Symposium and Exposition 2012, Energizing Analytical Solutions.  Applied Spectroscopy 2012 66, 253A – 254A.

Dybowski, C.  EAS 2012 – Energizing Analytical Solutions. CinACS Newsletter, October 2012.

Dybowski, C.  The Supply-and-Demand Factor. Chem. Eng. News 2013 91 (5), 2.

Dybowski, C.  Munson Departs! Blue Hen Chemist 2017 44, 1 – 6.

Yao, Y.; Yap. G. P. A.; Catalano, J.; Zumbulyadis, N.;  Centeno, S. A.; Dybowski, C. Experimental Crystal Determination; CCDC 1576707, 2018.  DOI: 10.5517/ccdc.csd.cc1pxpjt.

Murphy, A.; Yao. Y.; Wagner, M.; Centeno, S. A.; Di Tullio, V.; Neue, G.; Catalano, J.; Zumbulyadis, N.; Dybowski, C. The Kinetics of Soap Formation in Oil Paints and the Effects of Relative Humidity: Quantitative NMR Measurements. AMPERE Bulletin 2019 68 (2), 23 – 25.

 

Dybowski, C.  The 59th Eastern Analytical Symposium. Spectroscopy Online, September, 2020.

 

Musical Compositions

  1. Contrasts: Theme and Variations for Military Band
  2. Kenedy Fanfare No. 1
  3. Kenedy Fanfare No. 2
  4. Quartet No. 1
  5. Sinfonetta for Brass
  6. Sinfonetta No. 2
  7. A Random Event: Clarinet Quartet
  8. Songs
  9. Organ Piece #1
  10. Dodecaphonic Mass
  11. Walking With You
  12. Witches’ Waltz (from “DRACULA”)
  13. Yankee Doodle Variations: Music for Piano or Synthesizer
  14. Dance  (Piano Version)
  15. Tintinabulation of the Bells (Piano Version)
  16. Piano Piece No 1

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Last Updated: December 17, 2021.
URL of this document: http://www.udel.edu/dybowski/pub.htm