scholarly journals Synthesis and Characterization of New Lithium and Boron Based Metal Organic Frameworks with NLO Properties for Application in Neutron Capture Therapy

Processes ◽  
2020 ◽  
Vol 8 (5) ◽  
pp. 558
Author(s):  
Domenica Marabello ◽  
Paola Benzi ◽  
Fabio Beccari ◽  
Carlo Canepa ◽  
Elena Cariati ◽  
...  
Keyword(s):  
Neutron Capture ◽  
Second Harmonic ◽  
Theoretical Calculations ◽  
Metal Organic Frameworks ◽  
Neutron Capture Therapy ◽  
Nlo Property ◽  
Thermal Neutron Irradiation ◽  
Metal Organic ◽  
Natural Isotopes ◽  
Physics Department

In this work, we synthetized and characterized new crystalline materials with theranostic properties, i.e., they can be used both as bio-sensors and for “drug delivery”. The two solid crystalline compounds studied are Metal Organic Frameworks and have formulas Li[(C6H12O6)2B]·2H2O and Li[(C4H2O6)2B]·5.5H2O. They can be synthetized both with natural isotopes of Li and B or with 6Li and 10B isotopes, that can be explored for Neutron Capture Therapy (NCT) for anti-cancer treatment. The presence of chiral organic molecules, such as mannitol and tartaric acid, provides the NLO property to the crystals and thus their capability to generate the Second Harmonic, which is useful for applications as bio-sensors. The two compounds were characterized with X-ray Diffraction and the Second Harmonic Generation (SHG) responses were estimated by theoretical calculations, and the results were compared with experimental measurements of powdered samples. In order to test the behavior of such compounds under thermal neutron irradiation, we preliminary exposed one of the two compounds in the e_LiBANS facility at the Torino Physics Department. Preliminary results are reported.

scholarly journals Developing new SrI2 and β-D-fructopyranose-based metal–organic frameworks with nonlinear optical properties

2019 ◽  
Vol 75 (2) ◽  
pp. 210-218 ◽  
Author(s):  
Domenica Marabello ◽  
Paola Antoniotti ◽  
Paola Benzi ◽  
Elena Cariati ◽  
Leonardo Lo Presti ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Theoretical Calculations ◽  
Metal Organic Frameworks ◽  
Great Influence ◽  
Sensor Applications ◽  
Similar Chemical ◽  
Metal Organic

In the context of personalized medicine, there is a growing interest in materials bearing at the same time diagnostic and therapy functions. This article reports a cheap and easily reproducible procedure to obtain materials with a high potential for these applications. Three new strontium iodide–fructose-based metal–organic frameworks with formulae [Sr(C6H12O6)2]I2, [Sr2(C6H12O6)3(H2O)3]I4·0.5H2O and [Sr(C6H12O6)(H2O)3I]I differing in stoichiometry, symmetry and crystal packing, were obtained and characterized by X-ray diffraction. Bulk quantum simulations show that both the ions and the sugar are crucial in determining the predicted nonlinear response; also, the relative arrangement of various functional groups in the unit cell plays a role in the computed optical properties. Small fragments of the three compounds were selected for in vacuo calculations, proving that the reduced dimensions of the particles have a great influence on the nonlinear optical response. Despite the similar chemical composition of the three compounds, second harmonic generation measurements and in crystal and in vacuo theoretical calculations agree that one of the compounds is a much more efficient second harmonic emitter than the other two, and is thus a suitable candidate for bio-sensor applications.

Synthesis and Biological Behavior of a Boronated Analogue of the Antiestrogen U 23,469-M

1991 ◽  
Vol 46 (3-4) ◽  
pp. 252-256 ◽  
Keyword(s):  
Breast Cancer ◽  
Estrogen Receptor ◽  
Thermal Neutron ◽  
Therapeutic Effect ◽  
Neutron Capture ◽  
Biological Behavior ◽  
Neutron Capture Therapy ◽  
Thermal Neutron Irradiation ◽  
Estrogen Receptor Positive ◽  
Specific Uptake

A boronated analogue of the antiestrogen U 23,469-M (D. Lednicer, D. W. Emmert, S. C. Lyster, and G. W. Duncan, J. Med. Chem . 12, 881 (1969)) was prepared, for possible use in neutron capture therapy of estrogen receptor-positive tumors. In this analogue, the terminal OH group was replaced by a B-decachloro-o-carboranyl residue. This com pound showed a large, non-specific uptake in ZR75-1 breast cancer-derived cells. It could partially inhibit the uptake of estradiol in these cells. Accumulation in the cells at physiologically obtainable concentrations was, however, too low to envisage a therapeutic effect following thermal neutron irradiation.

scholarly journals Monte Carlo assessment of boron neutron capture therapy for the treatment of breast cancer

2005 ◽  
Vol 20 (1) ◽  
pp. 27-32 ◽  
Author(s):  
Daniel Mundy ◽  
Tatjana Jevremovic
Keyword(s):  
Breast Cancer ◽  
Boron Neutron Capture Therapy ◽  
Neutron Capture ◽  
Boron Concentration ◽  
Treatment Options ◽  
Neutron Capture Therapy ◽  
Boron Neutron Capture ◽  
Thermal Neutron Irradiation ◽  
Starting Point ◽  
Her 2

For a large number of women who are diagnosed with breast cancer every year the avail able treatment options are effective, though physically and mentally taxing. This work is a starting point of a study of the efficacy of boron neutron capture therapy as an alternative treatment for HER-2+ breast tumors. Using HER-2-specific monoclonal anti bodies coupled with a boron-rich oligomeric phosphate diester, it may be possible to deliver sufficient amounts of 10B to a tumor of the breast to al low for selective cell destruction via irradiation by thermal neutrons. A comprehensive computational model (MCNP) for thermal neutron irradiation of the breast is described, as well as the results of calculations made using this model, in order to determine the optimum boron concentration within the tumor for an effective boron neutron capture therapy treatment, as compared with traditional X-ray radiotherapy. The results indicate that a boron concentration of 50-60 mg per gram of tumor tissue is optimal when considering treatment times, dose distributions and skin sparing. How ever these results are based upon best-guess assumptions that must be experimentally verified.

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