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1.
J Phys Chem A ; 117(40): 10320-32, 2013 Oct 10.
Artículo en Inglés | MEDLINE | ID: mdl-23957579

RESUMEN

Two series of azines and their azomethine analogues were prepared via condensation reaction of benzaldehyde, 2-hydroxybenzaldehyde, 4-pyridinecarboxaldehyde, 2-thiophenecarboxaldehyde, and 4-(diphenylamino)benzaldehyde with hydrazine monohydrate and 1,4-phenylenediamine, respectively. The structures of given compounds were characterized by FTIR, (1)H NMR, and (13)C NMR spectroscopy as well as elemental analysis. Optical, electrochemical, and thermal properties of all compounds were investigated by means of differential scanning calorimetry (DSC), UV-vis spectroscopy, stationary and time-resolved photoluminescence spectroscopy, and cycling voltammetry (CV). Additionally, the electronic properties, that is, orbital energies and resulting energy gap were calculated theoretically by density functional theory (DFT). Influence of chemical structure of the compounds on their properties was analyzed.

2.
Health Syst (Basingstoke) ; 8(1): 52-73, 2019.
Artículo en Inglés | MEDLINE | ID: mdl-31214354

RESUMEN

Cancer is a disease affecting increasing numbers of people. In the UK, the proportion of people affected by cancer is projected to increase from 1 in 3 in 1992, to nearly 1 in 2 by 2020. Health services to tackle cancer can be grouped broadly into prevention, diagnosis, staging, and treatment. We review examples of Operational Research (OR) papers addressing decisions encountered in each of these areas. In conclusion, we find many examples of OR research on screening strategies, as well as on treatment planning and scheduling. On the other hand, our search strategy uncovered comparatively few examples of OR models applied to reducing cancer risks, optimising diagnostic procedures, and staging. Improvements to cancer care services have been made as a result of successful OR modelling. There is potential for closer working with clinicians to enable the impact of other OR studies to be of greater benefit to cancer sufferers.

3.
J Phys Chem C Nanomater Interfaces ; 118(24): 13070-13086, 2014 Jun 19.
Artículo en Inglés | MEDLINE | ID: mdl-24966893

RESUMEN

New symmetrical arylene bisimide derivatives formed by using electron-donating-electron-accepting systems were synthesized. They consist of a phthalic diimide or naphthalenediimide core and imine linkages and are end-capped with thiophene, bithiophene, and (ethylenedioxy)thiophene units. Moreover, polymers were obtained from a new diamine, N,N'-bis(5-aminonaphthalenyl)naphthalene-1,4,5,8-dicarboximide and 2,5-thiophenedicarboxaldehyde or 2,2'-bithiophene-5,5'-dicarboxaldehyde. The prepared azomethine diimides exhibited glass-forming properties. The obtained compounds emitted blue light with the emission maximum at 470 nm. The value of the absorption coefficient was determined as a function of the photon energy using spectroscopic ellipsometry. All compounds are electrochemically active and undergo reversible electrochemical reduction and irreversible oxidation processes as was found in cyclic voltammetry and differential pulse voltammetry (DPV) studies. They exhibited a low electrochemically (DPV) calculated energy band gap (Eg) from 1.14 to 1.70 eV. The highest occupied molecular orbital and lowest unoccupied molecular orbital levels and Eg were additionally calculated theoretically by density functional theory at the B3LYP/6-31G(d,p) level. The photovoltaic properties of two model compounds as the active layer in organic solar cells in the configuration indium tin oxide/poly(3,4-(ethylenedioxy)thiophene):poly(styrenesulfonate)/active layer/Al under an illumination of 1.3 mW/cm2 were studied. The device comprising poly(3-hexylthiophene) with the compound end-capped with bithiophene rings showed the highest value of Voc (above 1 V). The conversion efficiency of the fabricated solar cell was in the range of 0.69-0.90%.

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