Search Results - "Ximena Zarate"
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1
The Nature of the Donor Motif in Acceptor-Bridge-Donor Dyes as an Influence in the Electron Photo-Injection Mechanism in DSSCs
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10-03-2016)“…The combination and balance of acceptor(A)-bridge-donor(D) architecture of molecules confer suitable attributes and/or properties to act as efficient…”
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2
Insights into the selective sensing mechanism of a luminescent Cd(II)-based MOF chemosensor toward NACs: roles of the host–guest interactions and PET processes
Published in Journal of materials science (01-08-2021)“…The structural and photophysical properties of the [Cd 2 (H 2 L) 2 (H 2 O) 5 ].5H 2 O (where H 4 L is the ligand…”
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3
Tuning the visible-NIR absorption of azulenocyanine-based photosensitizers
Published in Journal of molecular modeling (01-11-2022)“…A new photosensitizer 1-WS55 (dyad) based on two dyes with excellent properties, azulenocyanine ( 1 ) and WS55 , is proposed at the density functional theory…”
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4
Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes
Published in Chemical science (Cambridge) (2017)“…A series of [2]rotaxane molecular shuttles was prepared containing a dibenzo[24]crown-8 ( ) wheel and a rigid H-shaped axle with varying track lengths between…”
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5
B3Al4+: A Three-Dimensional Molecular Reuleaux Triangle
Published in Molecules (Basel, Switzerland) (01-11-2022)“…We systematically explore the potential energy surface of the B3Al4+ combination of atoms. The putative global minimum corresponds to a structure formed by an…”
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Photophysical characterization and in vitro anti-leishmanial effect of 5,10,15,20-tetrakis(4-fluorophenyl) porphyrin and the metal (Zn(II), Sn(IV), Mn(III) and V(IV)) derivatives
Published in Biometals (01-02-2022)“…In this report 5 compounds were synthesized and structural and their photophysical characterization was performed (Φ Δ and Φ f ). Furthermore, in this in vitro…”
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7
Intramolecular and Lateral Intermolecular Hole Transfer at the Sensitized TiO2 Interface
Published in Journal of the American Chemical Society (22-01-2014)“…Characterization of the redox properties of TiO2 interfaces sensitized to visible light by a series of cyclometalated ruthenium polypyridyl compounds…”
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8
Imaging the Ultrafast Photoelectron Transfer Process in Alizarin-TiO2
Published in Molecules (Basel, Switzerland) (30-07-2015)“…In this work, we adopt a quantum mechanical approach based on time-dependent density functional theory (TDDFT) to study the optical and electronic properties…”
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9
Photocatalytic Degradation of Methylene Blue under Visible Light Using TiO2 Thin Films Impregnated with Porphyrin and Anderson-Type Polyoxometalates (Cu and Zn)
Published in Catalysts (01-10-2022)“…In this work, tetra(4-carboxyphenyl)porphyrin (TCPP) and two Anderson-type polyoxomolybdates (containing Cu and Zn, respectively; CuPOM, ZnPOM) were…”
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10
Theoretical and kinetic study of the singlet oxygen quenching reaction by hesperidin isolated from mandarin (Citrus reticulata) fruit peels
Published in Chemical papers (2022)“…Antioxidants act as quenchers or scavengers of oxidative free radicals and singlet oxygen ( 1 O 2 ); these compounds are effective in the treatment of diseases…”
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11
TiO2 thin films sensitization with natural dyes extracted from Bactris guineensis for photocatalytic applications: Experimental and DFT study
Published in Journal of Saudi Chemical Society (01-05-2020)“…TiO2 thin films, sensitized by an anthocyanins-rich extract of a common species found in the Colombian Caribbean region (Bactris guineensis fruits), were used…”
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12
Photodynamic effect of 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin and (Zn2+ and Sn4+) derivatives against Leishmania spp in the promastigote stage: experimental and DFT study
Published in Chemical papers (01-09-2021)“…In this work, we synthesized the meso -(aryl) porphyrin derivative 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin (TCPP) and two meso -(aryl) metalloporphyrins,…”
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13
New Polyaniline Derivative with Two Central Ester Groups: Synthesis, Characterization, and Theoretical Study
Published in ACS omega (26-12-2023)“…A new polyaniline derivative was prepared to study the formation of quinoid-diimine units in its polymer. The monomer and polymer were experimentally and…”
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14
A QUANTUM CHEMICAL STUDY OF SMALL MOLECULES USED AS ACTIVE LAYER COMPONENT OF ORGANIC SOLAR CELLS
Published in Momento (01-07-2020)“…Organic solar cells (OSCs) are one of the best alternatives in the photovoltaic area. These devices convert directly sunlight into electrical current with…”
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Antimicrobial Activity against Fusarium oxysporum f. sp. dianthi of TiO2/ZnO Thin Films under UV Irradiation: Experimental and Theoretical Study
Published in ACS omega (23-07-2024)“…We deposited bare TiO2 and TiO2/ZnO thin films to study their antimicrobial capacity against Fusarium oxysporum f. sp. dianthi. The deposit of TiO2 was…”
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Cyanobacterial Biomass as a Potential Biosorbent for the Removal of Recalcitrant Dyes from Water
Published in Water (Basel) (01-11-2021)“…The accumulation of cyanobacteria produced due to eutrophication processes and the increment of different pollutants in water as a result of industrial…”
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17
Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
Published in ACS omega (01-06-2021)“…In this article, we studied the antimicrobial activity of TiO2 sensitized by the Zn(II)-tetracarboxy-phthalocyanine (TcPcZn) complex using TiO2-Degussa P25 as…”
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18
Design, characterization and quantum chemical computations of a novel series of pyrazoles derivatives with potential anti-proinflammatory response
Published in Arabian journal of chemistry (01-08-2020)“…The synthesis and characterization of the full family of 11 pyrazoles were performed by means of UV–Vis, FTIR, 1H NMR, 13C NMR, two-dimensional NMR experiments…”
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Substituents Effects on Two Related Families of Dyes for Dye Sensitized Solar Cells: [Ru(4,4′-R,R-2,2′-bpy)3]2+ and [Ru(4,4′-COOH-2,2′-bpy)(4,4′-R,R-2,2′-bpy)2]2
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12-07-2012)“…We studied the influence of the substituents over the composition of the molecular orbitals, electronic transitions, and reactivity of several ruthenium…”
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INTERACTION OF CHALCONES WITH CT-DNA BY SPECTROPHOTOMETRIC ANALYSIS AND THEORETICALSIMULATIONS
Published in Química Nova (01-09-2016)“…Chalcones are open chain molecules precursors of flavonoids and isoflavonoids, found spread in edible plants. Because they are easily accessible trough Claisen…”
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