Diazapentacene derivatives: synthesis, properties, and structures

RSC Advances ◽  
2016 ◽  
Vol 6 (90) ◽  
pp. 86824-86828 ◽  
Author(s):  
John J. Hoff ◽  
Lei Zhu ◽  
Yutong Dong ◽  
Thomas Albers ◽  
Peter J. Steel ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Potential Application ◽  
Chemical Properties ◽  
Synthesis Properties

Two soluble and stable diazapentacene derivatives were synthesized. DFT calculations and their chemical properties indicate that both compounds have potential application as ambipolar semiconductors.

scholarly journals Binary Biocompatible CNC–Gelatine Hydrogel as 3D Scaffolds Suitable for Cell Culture Adhesion and Growth

Applied Nano ◽  
2021 ◽  
Vol 2 (2) ◽  
pp. 118-127
Author(s):  
Luca Zoia ◽  
Anna Binda ◽  
Laura Cipolla ◽  
Ilaria Rivolta ◽  
Barbara La Ferla
Keyword(s):  
Tissue Engineering ◽  
Cell Culture ◽  
Cell Cultures ◽  
Cellulose Nanocrystals ◽  
Potential Application ◽  
Chemical Properties ◽  
Cellular Adhesion ◽  
Chemical Crosslinking ◽  
3D Scaffolds ◽  
Physical Chemical

Binary nano-biocomposite 3D scaffolds of cellulose nanocrystals (CNCs)—gelatine were fabricated without using chemical crosslinking additives. Controlled oxidative treatment allowed introducing carboxyl or carbonyl functionalities on the surface of CNCs responsible for the crosslinking of gelatine polymers. The obtained composites were characterized for their physical-chemical properties. Their biocompatibility towards different cell cultures was evaluated through MTT and LDH assays, cellular adhesion and proliferation experiments. Gelatine composites reinforced with carbonyl-modified CNCs showed the most performing swelling/degradation profile and the most promising adhesion and proliferation properties towards cell lines, suggesting their potential application in the field of tissue engineering.

Carbon Dots: Synthesis, Properties and Biomedical Applications

2021 ◽  
Author(s):  
Guili Ge ◽  
Lin Li ◽  
Dan Wang ◽  
Mingjian Chen ◽  
Zhaoyang Zeng ◽  
...  
Keyword(s):  
Carbon Dots ◽  
Biomedical Applications ◽  
Chemical Properties ◽  
Physical And Chemical Properties ◽  
Synthesis Properties ◽  
New Type ◽  
Low Toxicity ◽  
Good Biocompatibility ◽  
Physical And Chemical ◽  
And Chemical Properties

Carbon dots (CDs) are a new type of carbon nanomaterial that have unique physical and chemical properties, good biocompatibility, low toxicity, easy surface functionalization, making them widely used in biological...

Synthesis, properties, DFT calculations, and cytotoxic activity of phosphorescent iridium(III) complexes with heteroatom ancillary ligands

2020 ◽  
Vol 73 (14) ◽  
pp. 2004-2014
Author(s):  
Xiao-Han Yang ◽  
Qian Zhang ◽  
Shao-Bin Dou ◽  
Lu Xiao ◽  
Xing-Liang Jia ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Cytotoxic Activity ◽  
Ancillary Ligands ◽  
Synthesis Properties

scholarly journals Electronic Peculiarities of a Self-Assembled M12L24 Nanoball (M = Pd+2, Cr, or Mo)

Molecules ◽  
2019 ◽  
Vol 24 (4) ◽  
pp. 771 ◽  
Author(s):  
Roxana del Castillo ◽  
Roberto Salcedo ◽  
Ana Martínez ◽  
Estrella Ramos ◽  
Luis Sansores
Keyword(s):  
Electron Transfer ◽  
Dft Calculations ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Chemical Properties ◽  
Hollow Structures ◽  
Self Assembled ◽  
Cr System ◽  
High Possibility ◽  
Electronic Behavior

We use molecular mechanics and DFT calculations to analyze the particular electronic behavior of a giant nanoball. This nanoball is a self-assembled M12L24 nanoball; with M equal to Pd+2; Cr; and Mo. These systems present an extraordinarily large cavity; similar to biological giant hollow structures. Consequently, it is possible to use these nanoballs to trap smaller species that may also become activated. Molecular orbitals, molecular hardness, and Molecular Electrostatic Potential enable us to define their potential chemical properties. Their hardness conveys that the Mo system is less reactive than the Cr system. Eigenvalues indicate that electron transfer from the system with Cr to other molecules is more favorable than from the system with Mo. Molecular Electrostatic Potential can be either positive or negative. This means that good electron donor molecules have a high possibility of reacting with positive regions of the nanoball. Each of these nanoballs can trap 12 molecules, such as CO. The nanoball that we are studying has large pores and presents electronic properties that make it an apposite target of study.

scholarly journals Synthesis and Physico-Chemical Properties of Homoleptic Copper(I) Complexes with Asymmetric Ligands as a DSSC Dye

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6835
Author(s):  
Tomohiko Inomata ◽  
Mayuka Hatano ◽  
Yuya Kawai ◽  
Ayaka Matsunaga ◽  
Takuma Kitagawa ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Low Cost ◽  
Dye Sensitized Solar Cells ◽  
Chemical Properties ◽  
Dye Sensitized ◽  
Physico Chemical ◽  
Td Dft ◽  
Conversion Efficiencies ◽  
Symmetric Ligands ◽  
Sensitized Solar Cells

To develop low-cost and efficient dye-sensitized solar cells (DSSCs), we designed and prepared three homoleptic Cu(I) complexes with asymmetric ligands, M1, M2, and Y3, which have the advantages of heteroleptic-type complexes and compensate for their synthetic challenges. The three copper(I) complexes were characterized by elemental analysis, UV-vis absorption spectroscopy, and electrochemical measurements. Their absorption spectra and orbital energies were evaluated and are discussed in the context of TD-DFT calculations. The complexes have high VOC values (0.48, 0.60, and 0.66 V for M1, M2, and Y3, respectively) which are similar to previously reported copper(I) dyes with symmetric ligands, although their energy conversion efficiencies are relatively low (0.17, 0.64, and 2.66%, respectively).

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