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1.
Angew Chem Int Ed Engl ; 59(14): 5756-5764, 2020 Mar 27.
Artigo em Inglês | MEDLINE | ID: mdl-31860759

RESUMO

Magnetic hysteresis is demonstrated for monolayers of the single-molecule magnet (SMM) Dy2 ScN@C80 deposited on Au(111), Ag(100), and MgO|Ag(100) surfaces by vacuum sublimation. The topography and electronic structure of Dy2 ScN@C80 adsorbed on Au(111) were studied by STM. X-ray magnetic CD studies show that the Dy2 ScN@C80 monolayers exhibit similarly broad magnetic hysteresis independent on the substrate used, but the orientation of the Dy2 ScN cluster depends strongly on the surface. DFT calculations show that the extent of the electronic interaction of the fullerene molecules with the surface is increasing dramatically from MgO to Au(111) and Ag(100). However, the charge redistribution at the fullerene-surface interface is fully absorbed by the carbon cage, leaving the state of the endohedral cluster intact. This Faraday cage effect of the fullerene preserves the magnetic bistability of fullerene-SMMs on conducting substrates and facilitates their application in molecular spintronics.

2.
Beilstein J Nanotechnol ; 8: 1127-1134, 2017.
Artigo em Inglês | MEDLINE | ID: mdl-28685113

RESUMO

We performed a study on the fundamental adsorption characteristics of Er3N@C80 deposited on W(110) and Au(111) via room temperature scanning tunneling microscopy and spectroscopy. Adsorbed on W(110), a comparatively strong bond to the endohedral fullerenes inhibited the formation of ordered monolayer islands. In contrast, the Au(111)-surface provides a sufficiently high mobility for the molecules to arrange in monolayer islands after annealing. Interestingly, the fullerenes modify the herringbone reconstruction indicating that the molecule-substrate interaction is of considerable extent. Investigations concerning the electronic structure of Er3N@C80/Au(111) reveals spatial variations dependent on the termination of the Au(111) at the interface.

3.
Langmuir ; 32(18): 4464-71, 2016 05 10.
Artigo em Inglês | MEDLINE | ID: mdl-27093097

RESUMO

Molecular anchoring and electronic properties of macrocyclic complexes fixed on gold surfaces have been investigated mainly by using scanning tunnelling microscopy (STM) and complemented with X-ray photoelectron spectroscopy (XPS). Exchange-coupled macrocyclic complexes [Ni2L(Hmba)](+) were deposited via 4-mercaptobenzoate ligands on the surface of a Au(111) single crystal from a mM solution of the perchlorate salt [Ni2L(Hmba)]ClO4 in dichloromethane. The combined results from STM and XPS show the formation of large monolayers anchored via Au-S bonds with a height of about 1.5 nm. Two apparent granular structures are visible: one related to the dinickel molecular complexes (cationic structures) and a second one related to the counterions ClO4(-) which stabilize the monolayer. No type of short and long-range order is observed. STM tip-interaction with the monolayer reveals higher degradation after 8 h of measurement. Spectroscopy measurements suggest a gap of about 2.5 eV between HOMO and LUMO of the cationic structures and smaller gap in the areas related to the anionic structures.

4.
Z Med Phys ; 25(3): 264-74, 2015 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-25791740

RESUMO

The aim of this work was the development of a software tool for treatment planning prior to molecular radiotherapy, which comprises all functionality to objectively determine the activity to administer and the pertaining absorbed doses (including the corresponding error) based on a series of gamma camera images and one SPECT/CT or probe data. NUKDOS was developed in MATLAB. The workflow is based on the MIRD formalism For determination of the tissue or organ pharmacokinetics, gamma camera images as well as probe, urine, serum and blood activity data can be processed. To estimate the time-integrated activity coefficients (TIAC), sums of exponentials are fitted to the time activity data and integrated analytically. To obtain the TIAC on the voxel level, the voxel activity distribution from the quantitative 3D SPECT/CT (or PET/CT) is used for scaling and weighting the TIAC derived from the 2D organ data. The voxel S-values are automatically calculated based on the voxel-size of the image and the therapeutic nuclide ((90)Y, (131)I or (177)Lu). The absorbed dose coefficients are computed by convolution of the voxel TIAC and the voxel S-values. The activity to administer and the pertaining absorbed doses are determined by entering the absorbed dose for the organ at risk. The overall error of the calculated absorbed doses is determined by Gaussian error propagation. NUKDOS was tested for the operation systems Windows(®) 7 (64 Bit) and 8 (64 Bit). The results of each working step were compared to commercially available (SAAMII, OLINDA/EXM) and in-house (UlmDOS) software. The application of the software is demonstrated using examples form peptide receptor radionuclide therapy (PRRT) and from radioiodine therapy of benign thyroid diseases. For the example from PRRT, the calculated activity to administer differed by 4% comparing NUKDOS and the final result using UlmDos, SAAMII and OLINDA/EXM sequentially. The absorbed dose for the spleen and tumour differed by 7% and 8%, respectively. The results from the example from radioiodine therapy of benign thyroid diseases and the example given in the latest corresponding SOP were identical. The implemented, objective methods facilitate accurate and reproducible results. The software is freely available.


Assuntos
Radioisótopos do Iodo/uso terapêutico , Modelos Biológicos , Planejamento da Radioterapia Assistida por Computador/métodos , Software , Doenças da Glândula Tireoide/radioterapia , Absorção de Radiação , Simulação por Computador , Humanos , Compostos Radiofarmacêuticos/uso terapêutico , Dosagem Radioterapêutica , Reprodutibilidade dos Testes , Sensibilidade e Especificidade , Design de Software , Validação de Programas de Computador
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