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Title: Structure and properties of DOTA-chelated radiopharmaceuticals within the 225 Ac decay pathway

Abstract

The stability of DOTA-chelated complexes coordinated with H 2 O has a strong correlation between the opening angle of DOTA and the atomic mass of the radioactive isotope.

Authors:
 [1];  [2]; ORCiD logo [3];  [4]; ORCiD logo [5]; ORCiD logo [1]
  1. Department of Physics, University of South Florida, Tampa, USA
  2. Department of Integrated Mathematical Oncology, H. Lee Moffitt Cancer Center and Research Institute, Tampa, USA
  3. Small Animal Imaging Laboratory Shared Resource, H. Lee Moffitt Cancer Center and Research Institute, Tampa, USA
  4. Department of Pharmaceutical Sciences, West Virginia University, Health Sciences Center, Morgantown, USA
  5. Department of Cancer Physiology, H. Lee Moffitt Cancer Center and Research Institute, Tampa, USA, Department of Oncologic Sciences
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1454630
Grant/Contract Number:  
DE FG02-06ER46297
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
MedChemComm
Additional Journal Information:
Journal Name: MedChemComm Journal Volume: 9 Journal Issue: 7; Journal ID: ISSN 2040-2503
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Khabibullin, Artem R., Karolak, Aleksandra, Budzevich, Mikalai M., McLaughlin, Mark L., Morse, David L., and Woods, Lilia M. Structure and properties of DOTA-chelated radiopharmaceuticals within the 225 Ac decay pathway. United Kingdom: N. p., 2018. Web. doi:10.1039/C8MD00170G.
Khabibullin, Artem R., Karolak, Aleksandra, Budzevich, Mikalai M., McLaughlin, Mark L., Morse, David L., & Woods, Lilia M. Structure and properties of DOTA-chelated radiopharmaceuticals within the 225 Ac decay pathway. United Kingdom. doi:10.1039/C8MD00170G.
Khabibullin, Artem R., Karolak, Aleksandra, Budzevich, Mikalai M., McLaughlin, Mark L., Morse, David L., and Woods, Lilia M. Mon . "Structure and properties of DOTA-chelated radiopharmaceuticals within the 225 Ac decay pathway". United Kingdom. doi:10.1039/C8MD00170G.
@article{osti_1454630,
title = {Structure and properties of DOTA-chelated radiopharmaceuticals within the 225 Ac decay pathway},
author = {Khabibullin, Artem R. and Karolak, Aleksandra and Budzevich, Mikalai M. and McLaughlin, Mark L. and Morse, David L. and Woods, Lilia M.},
abstractNote = {The stability of DOTA-chelated complexes coordinated with H 2 O has a strong correlation between the opening angle of DOTA and the atomic mass of the radioactive isotope.},
doi = {10.1039/C8MD00170G},
journal = {MedChemComm},
number = 7,
volume = 9,
place = {United Kingdom},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8MD00170G

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Works referenced in this record:

Modelling studies in aqueous solution of lanthanide (III) chelates designed for nuclear magnetic resonance biomedical applications
journal, August 2003


Bismuth(III) complexes with tetra-pyridylmethyl-cyclen
journal, April 2009

  • Morfin, Jean-François; Tripier, Raphaël; Baccon, Michel Le
  • Inorganica Chimica Acta, Vol. 362, Issue 6
  • DOI: 10.1016/j.ica.2008.08.013

The 1995 update to the atomic mass evaluation
journal, December 1995


Projector augmented-wave method
journal, December 1994


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


A simple measure of electron localization in atomic and molecular systems
journal, May 1990

  • Becke, A. D.; Edgecombe, K. E.
  • The Journal of Chemical Physics, Vol. 92, Issue 9
  • DOI: 10.1063/1.458517

Preclinical Evaluation of the α-Particle Generator Nuclide 225Ac for Somatostatin Receptor Radiotherapy of Neuroendocrine Tumors
journal, June 2008


Dissemination and growth of cancer cells in metastatic sites
journal, August 2002

  • Chambers, Ann F.; Groom, Alan C.; MacDonald, Ian C.
  • Nature Reviews Cancer, Vol. 2, Issue 8
  • DOI: 10.1038/nrc865

Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants
journal, August 2005

  • Vojtíšek, Pavel; Cígler, Petr; Kotek, Jan
  • Inorganic Chemistry, Vol. 44, Issue 16
  • DOI: 10.1021/ic048190s

Renal uptake of bismuth-213 and its contribution to kidney radiation dose following administration of actinium-225-labeled antibody
journal, January 2011

  • Schwartz, J.; Jaggi, J. S.; O’Donoghue, J. A.
  • Physics in Medicine and Biology, Vol. 56, Issue 3
  • DOI: 10.1088/0031-9155/56/3/012

Correlation of Water Exchange Rate with Isomeric Composition in Diastereoisomeric Gadolinium Complexes of Tetra(carboxyethyl)dota and Related Macrocyclic Ligands
journal, October 2000

  • Woods, Mark; Aime, Silvio; Botta, Mauro
  • Journal of the American Chemical Society, Vol. 122, Issue 40
  • DOI: 10.1021/ja994492v

Gadolinium(III) Chelates as MRI Contrast Agents:  Structure, Dynamics, and Applications
journal, September 1999

  • Caravan, Peter; Ellison, Jeffrey J.; McMurry, Thomas J.
  • Chemical Reviews, Vol. 99, Issue 9
  • DOI: 10.1021/cr980440x

Environmental Effects on the Structure of Metal Ion−DOTA Complexes:  An ab I nitio Study of Radiopharmaceutical Metals
journal, November 2006

  • Lau, Edmond Y.; Lightstone, Felice C.; Colvin, Michael E.
  • Inorganic Chemistry, Vol. 45, Issue 23
  • DOI: 10.1021/ic0602897

225Ac-PSMA-617 for PSMA-Targeted  -Radiation Therapy of Metastatic Castration-Resistant Prostate Cancer
journal, July 2016

  • Kratochwil, C.; Bruchertseifer, F.; Giesel, F. L.
  • Journal of Nuclear Medicine, Vol. 57, Issue 12
  • DOI: 10.2967/jnumed.116.178673

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Synthesis, characterization, and crystal structures of M(DO3A) (M = iron, gadolinium) and Na[M(DOTA)] (M = Fe, yttrium, Gd)
journal, August 1993

  • Chang, C. Allen; Francesconi, Lynn C.; Malley, Mary F.
  • Inorganic Chemistry, Vol. 32, Issue 16
  • DOI: 10.1021/ic00068a020

Atomic Radii in Crystals
journal, November 1964

  • Slater, J. C.
  • The Journal of Chemical Physics, Vol. 41, Issue 10
  • DOI: 10.1063/1.1725697

The dynamics of water exchange in gadolinium DOTA complexes studied by transition path sampling and potential of mean force methods
journal, January 2007

  • Dimelow, Richard J.; Burton, Neil A.; Hillier, Ian H.
  • Physical Chemistry Chemical Physics, Vol. 9, Issue 11
  • DOI: 10.1039/b617068d

213 Bi-Labeled Prostate-Specific Membrane Antigen-Targeting Agents Induce DNA Double-Strand Breaks in Prostate Cancer Xenografts
journal, March 2017

  • Nonnekens, Julie; Chatalic, Kristell L. S.; Molkenboer-Kuenen, Janneke D. M.
  • Cancer Biotherapy and Radiopharmaceuticals, Vol. 32, Issue 2
  • DOI: 10.1089/cbr.2016.2155

Analysis of the Conformational Behavior and Stability of the SAP and TSAP Isomers of Lanthanide(III) NB-DOTA-Type Chelates
journal, September 2011

  • Tircso, Gyula; Webber, Benjamin C.; Kucera, Benjamin E.
  • Inorganic Chemistry, Vol. 50, Issue 17
  • DOI: 10.1021/ic2012843

Selective Killing of Tumor Neovasculature Paradoxically Improves Chemotherapy Delivery to Tumors
journal, November 2010


In vitro and preclinical targeted alpha therapy of human prostate cancer with Bi-213 labeled J591 antibody against the prostate specific membrane antigen
journal, March 2002

  • Li, Y.; Tian, Z.; Rizvi, S. M. A.
  • Prostate Cancer and Prostatic Diseases, Vol. 5, Issue 1
  • DOI: 10.1038/sj.pcan.4500543

Cancer Drug Delivery: Considerations in the Rational Design of Nanosized Bioconjugates
journal, November 2014

  • Kobayashi, Hisataka; Turkbey, Baris; Watanabe, Rira
  • Bioconjugate Chemistry, Vol. 25, Issue 12
  • DOI: 10.1021/bc500481x

Radioimmunotherapy with alpha-emitting nuclides
journal, September 1998

  • McDevitt, Michael R.; Sgouros, George; Finn, Ronald D.
  • European Journal of Nuclear Medicine and Molecular Imaging, Vol. 25, Issue 9
  • DOI: 10.1007/s002590050306

Molecular Pathways: Targeted  -Particle Radiation Therapy
journal, December 2012


Radioimmunotherapy of Breast Cancer Metastases with  -Particle Emitter 225Ac: Comparing Efficacy with 213Bi and 90Y
journal, November 2009


Radium-223 Therapy of Bone Metastases in Prostate Cancer
journal, November 2016


Van der Waals density functional theory with applications: Van Der Waals DFT
journal, October 2004

  • Langreth, D. C.; Dion, M.; Rydberg, H.
  • International Journal of Quantum Chemistry, Vol. 101, Issue 5
  • DOI: 10.1002/qua.20315

Evaluation of nitrogen-rich macrocyclic ligands for the chelation of therapeutic bismuth radioisotopes
journal, May 2015


Active actinium
journal, October 2016

  • Deblonde, Gauthier J. -P.; Abergel, Rebecca J.
  • Nature Chemistry, Vol. 8, Issue 11
  • DOI: 10.1038/nchem.2653

Equilibrium, 1 H and 13 C NMR Spectroscopy, and X-ray Diffraction Studies on the Complexes Bi(DOTA) - and Bi(DO3A-Bu)
journal, April 2003

  • Csajbók, Éva; Baranyai, Zsolt; Bányai, István
  • Inorganic Chemistry, Vol. 42, Issue 7
  • DOI: 10.1021/ic0261272

Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenides MoS 2 , MoSe 2 , WS 2 , and WSe 2
journal, February 2014


Conformational and Coordination Equilibria on DOTA Complexes of Lanthanide Metal Ions in Aqueous Solution Studied by 1 H-NMR Spectroscopy
journal, May 1997

  • Aime, Silvio; Botta, Mauro; Fasano, Mauro
  • Inorganic Chemistry, Vol. 36, Issue 10
  • DOI: 10.1021/ic961364o

Tumor Therapy with Targeted Atomic Nanogenerators
journal, November 2001


Therapeutic efficacy and toxicity of 225Ac-labelled vs. 213Bi-labelled tumour-homing peptides in a preclinical mouse model of peritoneal carcinomatosis
journal, January 2012

  • Essler, Markus; Gärtner, Florian C.; Neff, Frauke
  • European Journal of Nuclear Medicine and Molecular Imaging, Vol. 39, Issue 4
  • DOI: 10.1007/s00259-011-2023-6

Zur Quantentheorie des Atomkernes
journal, March 1928


Gadolinium(iii) complexes as MRI contrast agents: ligand design and properties of the complexes
journal, January 2008

  • Hermann, Petr; Kotek, Jan; Kubíček, Vojtěch
  • Dalton Transactions, Issue 23
  • DOI: 10.1039/b719704g

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


Targeting cancer cells by ROS-mediated mechanisms: a radical therapeutic approach?
journal, May 2009

  • Trachootham, Dunyaporn; Alexandre, Jerome; Huang, Peng
  • Nature Reviews Drug Discovery, Vol. 8, Issue 7
  • DOI: 10.1038/nrd2803