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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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Abstract In this work, we report on the structure and dynamics of the 1,1,3,3 tetramethyl guanidine (TMG) aqueous solutions in a wide concentration and temperature range by combining vibrational and ultrasonic spectroscopies. The experimental Raman spectra have been compared with the corresponding spectra obtained by ab initio quantum mechanical and density functional theory electronic structure calculations. This comparison indicated that only a single mechanism occurs when dissolving TMG in wa...
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Abstract A novel receptor based on azo-derivatives of 1-naphthylamine (2-((E)-((4-chloro-3-(trifluoromethyl)phenyl)imino)methyl)-4-((E)-naphthalene-1-yldiazenyl)phenol(2) abbreviated CTNP was successfully designed and synthesized. Its sensing properties were studied deeply. Systematic studies of CTNP with HCO3− and AcO− anions in DMSO disclosed that there is hydrogen-bonding between CTNP and incoming anions. Significant changes in the visible region of the spectrum, as well as a drastic color ch...
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Abstract It is of great significance to detect the moisture in organic solvents before used in water-sensitive reactions. Herein, two Schiff base quinoline derivatives, 8-hydroxyquinoline-2-carboxaldehyde thiosemicarbazone (HQCT) and 8-hydroxyquinoline-2-carboxaldehyde (pyridine-2-carbonyl)-hydrazine (HQPH), were designed and synthesized by a simple one-step reaction, and used as fluorescent chemosensors for ultra-fast and sensitive detection of water content in strong polar organic solvents. Ba...
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Abstract A novel strategy, Th4+ tuned aggregation-induced emission, for sequential ultrasensitive detection and separation of Th4+ and Hg2+ was developed successfully. For demonstration this strategy, we designed and synthesized two tripodal gelators TH (tri-(isoniazid-4-yl)-functionalized trimesic acylhydrazine) and TA (tri-(pyridine-4-yl)-functionalized trimesic amide). The TH and TA could assemble into a stable supramolecular polymer hydrogel THTA-G in DMSO/H2O (3.3:6.7, v/v) binary-solution....
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Abstract Polyphenols have been known to have significant binding affinity for proteins, and the specific condition (such as pH) could affect the degree of binding, the formation of covalent bond, and non-covalent interaction. In this study, characteristics of binding quercetin (Q) to wheat gliadin (G) which is a strong food allergen, were studied from pH 2.0 to pH 9.0. The results showed that Q quenched the fluorescence intensity of G by dynamic and static quenching modes and the stoichiometry o...
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Abstract Stereo and structural isomerism of the copper(II) chelate complexes define their biological activity. At the same time, the identification of the geometric isomers of such complexes is a nontrivial task of modern coordination chemistry. In the presented work we have studied the trans- and cis-isomers of chelates bis(S-valinato)copper(II), (R,S-valinato)copper(II) and other mixed ligand copper(II) amino acid complexes with the joint use of experimental by ATR-FTIR spectroscopy and DFT si...
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Abstract Compounds 1, 2 and 3 with a common strategy of variation of substituent at the 4-position of naphthalimide have been designed and synthesized. Of the three structures, compound 1 has been established as F− sensor in CH3CN involving a color change from colorless to pink. The pink color is discharged in the presence of water or any polar protic solvent. By comparison, while compound 3 did not show any response towards anions, compound 2 under identical conditions exhibited color change fr...
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Abstract Conventional organic dye encoding is limited by photo-bleaching and spectral overlap, thus restricting the number of distinguishable codes that can be used in practice. The utility of a single dye for increasing additional encoding capacity has yet to be explored. To this end, we firstly report a facile, flexible and green sustainable method to maximize the time-resolved encoding capacity of the xanthene red dye, eosin. By simply adjusting the concentration, pH and viscosity of the eosi...
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Abstract A novel “off-on” colorimetric and fluorescent chemosensor N2,N6-bis(2-(rhodamine B amido)ethyl)pyridine-2,6-dicarboxamide (RhBEP) has been designed and synthesized, which can selectively detect the presence of Fe3+ with about 75-fold enhancement in fluorescence emission intensity at 585 nm over various environmentally relevant metal cations such as Hg2+, Cu2+, Cr3+, Li+, Na+, K+, Ag+, Zn2+, Mg2+, Ca2+, Ba2+, Fe2+, Cd2+, Ni2+, Mn2+, Al3+, Bi3+ and Au3+ in PBS reaction media. The remarkab...
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Abstract In this work, we address the structural stability, electronic properties and effect of metal-metal interaction on Raman spectra of icosahedral (Ih) PdmCun (m + n = 13) clusters using first principles calculations based on dispersion-corrected density functional theory (DFT-D2). Initially, we investigated the relative stability of Ih PdmCun clusters over monometallic Ih Pd13 and Cu13 clusters by calculating the average binding energy per atom, mixing energy, second order energy differenc...
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Analytical chemistry
Inorganic chemistry
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