4.6 Article

Understanding the Equilibria of Thio Compounds Adsorbed on Gold by Surface-Enhanced Raman Scattering and Density Functional Theory Calculations

Journal

JOURNAL OF PHYSICAL CHEMISTRY C
Volume 117, Issue 12, Pages 6275-6283

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp400235y

Keywords

-

Funding

  1. FAPESP [2011/12479-3]
  2. CNPq
  3. FUNCAP [PRONEM PRN-0040-00065.01.00/10 SPU, 10582696-0]
  4. CAPES

Ask authors/readers for more resources

The self-assembled monolayers (SAMs) derived from thionicotinamide (TNA), thioisonicotinamide (iTNA), and 5-(4-pyridyl)-1,3,4-oxadiazole-2-thiol (Hpyt) on gold have been characterized via surface-enhanced Raman scattering (SEAS) as a function of pH and applied potential. Density functional theory calculations performed on the molecule/metal interaction model reinforced the vibrational assignments of the SERS spectra. Despite the structural similarity, these compounds presented different behaviors depending on the pH and applied potential with the iTNA SAM being the most affected. Upon adsorption and at pH 6, Hpyt SAM is not protonated while TNA and iTNA SAMs are partially and completely protonated, respectively. The results presented herein, besides being helpful for the understanding of the formation of the SAMs, can shed light on the understanding of the different responses observed for the cytochrome c metalloprotein by using the SAMs derived from these molecules.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Chemistry, Physical

Inhibition of p-Nitrothiophenol Catalytic Hydrogenation on Ag-Containing AgAu/Pd/TiO2 Plasmonic Catalysts Probed in situ by SERS

Douglas S. Lopes, Lucas L. R. Vono, Ester Miranda, Romulo A. Ando, Paola Corio

Summary: The compositional variations of AgAu/Pd/TiO2 catalysts were investigated using in situ SERS. It was found that as the Ag mole fraction decreased, the hydrogenation rate of PNTP increased exponentially, while the conversion yield of PATP to DMAB decreased rapidly. These variations in catalytic performance can be explained by the formation of surface Ag oxides.

CHEMCATCHEM (2022)

Article Environmental Sciences

Airborne microplastics and SARS-CoV-2 in total suspended particles in the area surrounding the largest medical centre in Latin America

Luis Fernando Amato-Lourenco, Natalie de Souza Xavier Costa, Katia Cristina Dantas, Luciana dos Santos Galva, Fernando Negri Moralles, Suzette Cleuza Ferreira Spina Lombardi, Alfredo Mendroni Junior, Jose Angelo Lauletta Lindoso, Romulo Augusto Ando, Felipe Gallego Lima, Regiani Carvalho-Oliveira, Thais Mauad

Summary: The study found SARS-CoV-2 and microplastics in the outdoor air around the largest medical center in Latin America, with polyester being the most common polymer in the samples. The total amount of microplastics was positively associated with the SARS-CoV-2 viral load and negatively associated with temperature and relative humidity.

ENVIRONMENTAL POLLUTION (2022)

Article Chemistry, Physical

Photophysical properties of push-π-pull type chromophores of aryl-substituted bipyridines in different solvents

Lucas F. Bezerra, Monilson P. Reis, Adolfo I. B. Romo, Dieric S. Abreu, Marcelo H. Gehlen, Elisane Longhinotti, Tercio F. Paulo, Idalina M. M. Carvalho, Izaura C. N. Diogenes

Summary: Photophysical studies on derivatives of 4'-methyl-2,2'-bipyridine with polycyclic aromatic hydrocarbons showed red shifts and broadening of emission spectra with increasing solvent polarity, indicating a dominant charge transfer contribution in high polar solvents. Theoretical calculations found a mixing of local excited-state and charge transfer states in moderately polar solvents, corroborated by the observed single exponential decay lifetimes.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2022)

Article Biochemistry & Molecular Biology

Anti-inflammatory withajardins from the leaves of Athenaea velutina

Kesya Amanda Dantas Rocha, Tercio de Freitas Paulo, Alejandro Pedro Ayala, Valeria da Silva Sampaio, Paulo Iury Gomes Nunes, Flavia Almeida Santos, Kirley Marques Canuto, Edilberto Rocha Silveira, Otilia Deusdenia Loiola Pessoa

Summary: In this study, unknown Withajardin compounds and known tuboanosigenin were isolated from the leaves of Athenaea velutina. Their structures and absolute configurations were determined using various analytical techniques, and their anti-inflammatory activity was evaluated.

PHYTOCHEMISTRY (2022)

Article Green & Sustainable Science & Technology

Carboxymethyl cellulose/sugarcane bagasse/polydopamine adsorbents for efficient removal of Pb2+ ions from synthetic and undergraduate laboratory wastes

Laise Moura Furtado, Dairon Perez Fuentes, Romulo Augusto Ando, Pedro Vitoriano Oliveira, Denise Freitas Siqueira Petri

Summary: Low-cost eco-friendly adsorbents, consisting of CMC, PDA, and BG, were developed for water treatment. These biobased adsorbents showed high efficiency in removing Pb2+ ions and other metal ions from wastewater. Their potential application in the treatment of complex wastewater from undergraduate laboratories was demonstrated.

JOURNAL OF CLEANER PRODUCTION (2022)

Article Biochemistry & Molecular Biology

Realistic environmental exposure to secondary PET microplastics induces biochemical responses in freshwater amphipod Hyalella azteca

Lucas Goncalves Queiroz, Barbara Rani-Borges, Caio Cesar Achiles Prado, Beatriz Rocha de Moraes, Romulo Augusto Ando, Teresa Cristina Brazil de Paiva, Marcelo Pompeo

Summary: Freshwater environments, being close to urbanized and industrial areas, are highly vulnerable to microplastic contamination. However, there is limited understanding of the impact of this pollutant on freshwater ecosystems. This study focused on the freshwater amphipod Hyalella azteca and investigated the effects of polyethylene terephthalate (PET) microplastics on its survival and biochemical markers. The results showed no significant mortality, but changes in oxidative stress biomarkers were observed at lower levels of exposure. These findings suggest that although the survival of H. azteca may not be affected, the presence of PET microplastic pollution can pose a threat to the macrobenthic invertebrate community.

CHEMISTRY AND ECOLOGY (2023)

Article Chemistry, Physical

Infrared Spectroscopy Evidence of Weak Interactions in Frustrated Lewis Pairs Formed by Tris(pentafluorophenyl)borane

Leandro Ramos Marques, Romulo Augusto Ando

Summary: This study provides evidence of weak intermolecular interactions between Lewis acids and Lewis bases by probing fluorine-carbon vibrational modes using infrared spectroscopy, distinguishing the Lewis adduct from FLPs.

CHEMPHYSCHEM (2023)

Article Chemistry, Physical

Regioselective Plasmon-Driven Decarboxylation of Mercaptobenzoic Acids Triggered by Distinct Reactive Oxygen Species

Douglas dos Santos Lopes, Dieric dos Santos Abreu, Romulo Augusto Ando, Paola Corio

Summary: This study demonstrates the regioselective plasmon-driven decarboxylation of mercaptobenzoic acid isomers by reactive oxygen species generated by hot carriers in plasmonic metal nanoparticles. The catalytic C-C bond cleavage over AgNPs and AuNPs is primarily initiated by photogenerated singlet oxygen and hydroxyl radical, respectively. The research sheds light on the tuning of regioselectivity in plasmon-driven transformations and has implications for the design of plasmonic catalysts for specific reactions.

ACS CATALYSIS (2022)

Article Chemistry, Applied

Redox-responsive fluorescence emission output of a synthetic phenazine derivative

Lucas F. Bezerra, Tercio F. Paulo, Idalina M. M. de Carvalho, Florencio S. Gouveia Junior, Luiz G. F. Lopes, Izaura C. N. Diogenes

Summary: Molecules with reversible photoreactions, such as dipyridoquinoxalinophenazine (dpqpz), have the potential to be used as photocatalysts in electron transfer reactions for molecular switch design. This study demonstrates the reversible redox-responsive fluorescence emission of dihydro-dpqpz, which can recover its original form upon air contact. The emission efficiency of dihydro-dpqpz is influenced by the solvent polarity, with protic solvents showing strong emission suppression due to hydrogen bonding effects.

DYES AND PIGMENTS (2023)

Article Limnology

Effects of ABS microplastics on microalgae Chlorella vulgaris and Raphidocelis subcapitata

Barbara Rani-Borges, Lucas Goncalves Queiroz, Karen de Souza Ferreira, Thais Fabiane Gomes Martins, Eduardo Vicente, Romulo Augusto Ando, Marcelo Pompeo

Summary: In recent years, there has been a growing interest in the impacts of microplastics on aquatic environments, particularly on microalgae. However, much of the research has focused on high concentrations of microplastics that are not naturally found in the environment. In this study, Chlorella vulgaris and Raphidocelis subcapitata were exposed to different concentrations of ABS microplastics for 6 days, and physiological changes in cell growth and chlorophyll content were observed.

INTERNATIONAL JOURNAL OF LIMNOLOGY (2023)

Article Chemistry, Multidisciplinary

SERS-based detection of an organochlorine pesticide through surface plasmon-induced C-C coupling

Douglas S. Lopes, Ester V. Miranda, Romulo A. Ando, Paola Corio

Summary: Palladium-catalyzed Suzuki-Miyaura cross-coupling was used for the SERS-based detection of organochlorine pesticides (OPs) by modifying silver nanoparticles with 4-mercaptophenylboronic acid (4-MPBA). The catalytic activity increased linearly with the Pd loading, while the SERS activity decreased exponentially with Pd content. Optimized reaction parameters were used for SERS detection of an OP at micromolar levels.

ENVIRONMENTAL SCIENCE-NANO (2023)

Article Materials Science, Multidisciplinary

Electrical Resistance Evolution of Graphite and Talc Geological Heterostructures under Progressive Metamorphism

Augusto Goncalves Nobre, Fabio Ramos Dias de Andrade, Andres Fabian Salazar-Naranjo, Josue Neroti Rigue, Ricardo Barreto da Silva, Silvio Roberto Farias Vlach, Romulo Augusto Ando

Summary: This study evaluates the evolution of electrical resistance in mineral graphite and talc under progressive metamorphism simulated in the laboratory. The results show that the morphology and treatment conditions of the samples have a significant influence on their electrical resistance, which is important for the discovery and utilization of potential target rocks with preserved mineral nanometric heterostructures.

C-JOURNAL OF CARBON RESEARCH (2023)

Article Chemistry, Physical

Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push-pull systems: a TDDFT and CASPT2 comparison

Adalberto V. Sanches V. de Araujo, Leandro R. Marques, Antonio C. Borin, Romulo A. Ando

Summary: Time-Dependent Density-Functional Theory (TDDFT) and Extended Multi-State Complete Active Space Second-Order Perturbation Theory (XMS-CASPT2) methods were used to simulate the vibronic and resonance Raman spectra of a push-pull model system. XMS-CASPT2 method showed better accuracy in predicting absorption spectral band intensity and vibronic broadening. In terms of resonance Raman excitation profile, the XMS-CASPT2 method successfully predicted the dominance of different vibrational modes for different energies.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Polymer Science

Tuning the Mechanical and Thermal Properties of Hydroxypropyl Methylcellulose Cryogels with the Aid of Surfactants

Rafael S. Dezotti, Laise M. Furtado, Marcio Yee, Ticiane S. Valera, Krishnasamy Balaji, Romulo A. Ando, Denise F. S. Petri

Summary: The microstructure of HPMC cryogels was modified by the addition of ionic (AOT) and non-ionic (Kolliphor(R) EL) surfactants. Cryogels containing AOT had lower compressive modulus, higher specific surface area, lower thermal conductivity, and less hygroscopic walls, while cryogels with Kolliphor(R) EL were the stiffest with the lowest specific surface area and highest thermal conductivity. Density functional theory calculations showed different interaction energies between AOT and HPMC, and HPMC and Kolliphor(R) EL, which influenced the mechanical and thermal properties of the cryogels.
Article Materials Science, Multidisciplinary

Simulation of geological graphene genesis by the piston-cylinder apparatus

Augusto Goncalves Nobre, Andres Fabian Salazar-Naranjo, Fabio Ramos Dias de Andrade, Silvio Roberto Farias Vlach, Romulo Augusto Ando

Summary: The study simulated the geological formation process of graphene using an apparatus, revealing that graphite deformed near the talc diffusion zone and eventually cleaved, with graphene becoming stable on the talc substrate in the center of the diffusion zone.

MATERIA-RIO DE JANEIRO (2022)

No Data Available