Synthesis, Spectroscopy Studies, and Theoretical Calculations of New Fluorescent Probes Based on Pyrazole Containing Porphyrins for Zn(II), Cd(II), and Hg(II) Optical Detection

2014 ◽  
Vol 53 (12) ◽  
pp. 6149-6158 ◽  
Author(s):  
Nuno M. M. Moura ◽  
Cristina Núñez ◽  
Sérgio M. Santos ◽  
M. Amparo F. Faustino ◽  
José A. S. Cavaleiro ◽  
...  
Keyword(s):  
Fluorescent Probes ◽  
Theoretical Calculations ◽  
Optical Detection ◽  
Spectroscopy Studies

Novel triazole-based fluorescent probes for Pd2+ in aqueous solutions: design, theoretical calculations and imaging

The Analyst ◽  
2013 ◽  
Vol 138 (21) ◽  
pp. 6632 ◽  
Author(s):  
Ji-Ting Hou ◽  
Kun Li ◽  
Kang-Kang Yu ◽  
Mei-Zhen Ao ◽  
Xin Wang ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Fluorescent Probes ◽  
Theoretical Calculations

Colourimetric and fluorescent probes for the optical detection of palladium ions

2013 ◽  
Vol 42 (19) ◽  
pp. 7943 ◽  
Author(s):  
Honglin Li ◽  
Jiangli Fan ◽  
Xiaojun Peng
Keyword(s):  
Fluorescent Probes ◽  
Optical Detection

Two colorimetric fluorescent probes for detection Fe3+: Synthesis, characterization and theoretical calculations

2016 ◽  
Vol 180 ◽  
pp. 278-286 ◽  
Author(s):  
Junxia Zhao ◽  
Qi Gao ◽  
Feifei Zhang ◽  
Wei Sun ◽  
Yinjuan Bai
Keyword(s):  
Fluorescent Probes ◽  
Theoretical Calculations

scholarly journals Pressure-induced superconductivity and modification of Fermi surface in type-II Weyl semimetal NbIrTe4

2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Qing-Ge Mu ◽  
Feng-Ren Fan ◽  
Horst Borrmann ◽  
Walter Schnelle ◽  
Yan Sun ◽  
...  
Keyword(s):  
Fermi Surface ◽  
Electrical Transport ◽  
Chemical Potential ◽  
Theoretical Calculations ◽  
Quantum Oscillation ◽  
Type Ii ◽  
Superconducting Transition ◽  
Weyl Semimetal ◽  
Spectroscopy Studies ◽  
Structure Calculations

AbstractWeyl semimetals (WSMs) hosting Weyl points (WPs) with different chiralities attract great interest as an object to study chirality-related physical properties, topological phase transitions, and topological superconductivity. Quantum oscillation measurements and theoretical calculations imply that the type-II WPs in NbIrTe4 are robust against the shift of chemical potential making it a good material for pressure studies on topological properties. Here we report the results of electrical transport property measurements and Raman spectroscopy studies under pressures up to 65.5 GPa accompanied by theoretical electronic structure calculations. Hall resistivity data reveal an electronic transition indicated by a change of the charge carrier from multiband character to hole-type at ~12 GPa, in agreement with the calculated Fermi surface. An onset of superconducting transition is observed at pressures above 39 GPa, with critical temperature increasing as pressure increases. Moreover, theoretical calculations indicate that WPs persist up to highly reduced unit cell volume (−17%), manifesting that NbIrTe4 is a candidate of topological superconductor.

scholarly journals Semi-Quantitatively Designing Two-Photon High-Performance Fluorescent Probes for Glutathione S-Transferases

Research ◽  
2020 ◽  
Vol 2020 ◽  
pp. 1-11
Author(s):  
Xue-Xiang Zhang ◽  
Huan Qi ◽  
Mei-Heng Lu ◽  
Song-Qiu Yang ◽  
Peng Li ◽  
...  
Keyword(s):  
Fluorescent Probes ◽  
High Performance ◽  
Density Functional ◽  
Transient Absorption ◽  
Theoretical Calculations ◽  
Detoxification Enzymes ◽  
Live Cells ◽  
Conceptual Density Functional Theory ◽  
Two Photon ◽  
Glutathione S Transferases

Glutathione S-transferases (GSTs), detoxification enzymes that catalyze the addition of glutathione (GSH) to diverse electrophilic molecules, are often overexpressed in various tumor cells. While fluorescent probes for GSTs have often adopted the 2,4-dinitrobenzenesulfonyl (DNs) group as the receptor unit, they usually suffer from considerable background reaction noise with GSH due to excessive electron deficiency. However, weakening this reactivity is generally accompanied by loss of sensitivity for GSTs, and therefore, finely turning down the reactivity while maintaining certain sensitivity is critical for developing a practical probe. Here, we report a rational semiquantitative strategy for designing such a practical two-photon probe by introducing a parameter adopted from the conceptual density functional theory (CDFT), the local electrophilicity ωk, to characterize this reactivity. As expected, kinetic studies established ωk as efficient to predict the reactivity with GSH, and probe NI3 showing the best performance was successfully applied to detecting GST activities in live cells and tissue sections with high sensitivity and signal-to-noise ratio. Photoinduced electron transfer of naphthalimide-based probes, captured by femtosecond transient absorption for the first time and unraveled by theoretical calculations, also contributes to the negligible background noise.

ChemInform Abstract: Colorimetric and Fluorescent Probes for the Optical Detection of Palladium Ions

ChemInform ◽  
2013 ◽  
Vol 44 (47) ◽  
pp. no-no
Author(s):  
Honglin Li ◽  
Jiangli Fan ◽  
Xiaojun Peng
Keyword(s):  
Fluorescent Probes ◽  
Optical Detection

scholarly journals DFT calculation, biological activity, anion sensing studies and crystal structure of (E)-4-chloro-2-((pyridin-2-ylimino)-methyl)phenol

2018 ◽  
Vol 83 (6) ◽  
pp. 707-721 ◽  
Author(s):  
Nuray Yildirim ◽  
Neslihan Demir ◽  
Gökhan Alpaslan ◽  
Bahadir Boyacioğlu ◽  
Mustafa Yildiz ◽  
...  
Keyword(s):  
Density Functional ◽  
Theoretical Calculations ◽  
Anion Recognition ◽  
X Ray ◽  
Yeast Cultures ◽  
Colorimetric Response ◽  
Vis Spectroscopy ◽  
Before And After ◽  
Spectroscopy Studies ◽  
Ct Dna

(E)-4-Chloro-2-[(pyridin-2-ylimino)methyl]phenol was synthesized in the reaction of 2-aminopyridine with 5-chlorosalicylaldehyde. The structure of compound was investigated by FTIR, UV?Vis, 1H-NMR, 13C-NMR and X-ray data. In addition, characterization of the compound was realized using theoretical quantum mechanical calculations and experimental spectroscopic methods. The molecular structure of the compound was confirmed using X-ray single-crystal data, NMR, FTIR and UV?Vis, which were in good agreement with the structure predicted by the theoretical calculations using the density functional theory (DFT). Moreover, the antimicrobial activity of the compound was investigated against some bacteria and yeast cultures by the broth microdilution test. UV?Vis spectroscopy studies of the interactions between the Schiff base and calf thymus DNA (CT-DNA) showed that the compound interacts with CT-DNA via electrostatic binding. The colorimetric response of the compound receptors was investigated before and after the addition of an equivalent amount of each anion to evaluate anion recognition properties.

XUV Absorption Spectra of Carbon Ions

1988 ◽  
Vol 102 ◽  
pp. 71-73
Author(s):  
E. Jannitti ◽  
P. Nicolosi ◽  
G. Tondello
Keyword(s):  
Absorption Spectra ◽  
Cross Section ◽  
Theoretical Calculations ◽  
Photoionization Cross Section ◽  
Carbon Ions

AbstractThe photoabsorption spectra of the carbon ions have been obtained by using two laser-produced plasmas. The photoionization cross-section of the CV has been absolutely measured and the value at threshold, σ=(4.7±0.5) × 10−19cm2, as well as its behaviour at higher energies agrees quite well with the theoretical calculations.

Relative Intensities in ED Patterns From Thin Gold Films

1972 ◽  
Vol 30 ◽  
pp. 636-637
Author(s):  
R. H. Morriss ◽  
J. D. C. Peng ◽  
C. D. Melvin
Keyword(s):  
Theoretical Calculations ◽  
Diffraction Theory ◽  
Gold Films ◽  
Reasonable Accuracy ◽  
Experimental Conditions ◽  
Crystal Perfection ◽  
Heavy Atoms ◽  
Fine Focus ◽  
Convergent Beam ◽  
Beam Diffraction

Although dynamical diffraction theory was modified for electrons by Bethe in 1928, relatively few calculations have been carried out because of computational difficulties. Even fewer attempts have been made to correlate experimental data with theoretical calculations. The experimental conditions are indeed stringent - not only is a knowledge of crystal perfection, morphology, and orientation necessary, but other factors such as specimen contamination are important and must be carefully controlled. The experimental method of fine-focus convergent-beam electron diffraction has been successfully applied by Goodman and Lehmpfuhl to single crystals of MgO containing light atoms and more recently by Lynch to single crystalline (111) gold films which contain heavy atoms. In both experiments intensity distributions were calculated using the multislice method of n-beam diffraction theory. In order to obtain reasonable accuracy Lynch found it necessary to include 139 beams in the calculations for gold with all but 43 corresponding to beams out of the [111] zone.

Confocal microscopy of the cytoskeleton in living plant cells following microinjection of fluorescent probes

1993 ◽  
Vol 51 ◽  
pp. 130-131
Author(s):  
Ann Cleary
Keyword(s):  
Cell Division ◽  
Fluorescent Probes ◽  
Actin Filaments ◽  
Intracellular Transport ◽  
Cell Structure ◽  
Plant Cells ◽  
Cell Plate ◽  
Cell Cortex ◽  
Living Plant ◽  
Rhodamine Phalloidin

Microinjection of fluorescent probes into living plant cells reveals new aspects of cell structure and function. Microtubules and actin filaments are dynamic components of the cytoskeleton and are involved in cell growth, division and intracellular transport. To date, cytoskeletal probes used in microinjection studies have included rhodamine-phalloidin for labelling actin filaments and fluorescently labelled animal tubulin for incorporation into microtubules. From a recent study of Tradescantia stamen hair cells it appears that actin may have a role in defining the plane of cell division. Unlike microtubules, actin is present in the cell cortex and delimits the division site throughout mitosis. Herein, I shall describe actin, its arrangement and putative role in cell plate placement, in another material, living cells of Tradescantia leaf epidermis.The epidermis is peeled from the abaxial surface of young leaves usually without disruption to cytoplasmic streaming or cell division. The peel is stuck to the base of a well slide using 0.1% polyethylenimine and bathed in a solution of 1% mannitol +/− 1 mM probenecid.

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