Article
Nanoscience & Nanotechnology
Guanguang Zhang, Kaiyue Guo, Xingxing Shen, Honglong Ning, Hongfu Liang, Jinyao Zhong, Wei Xu, Biao Tang, Rihui Yao, Junbiao Peng
Summary: In this study, an electrochromic physical simulation model of WO3 films was established to investigate the electrochromic mechanism. Through experimental and theoretical analysis, continuous electron-transfer process and Li+-ion diffusion process in WO3 were revealed. The model successfully validated experimental data and provided an accurate description of the electrochromic process.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Ismail Karakurt, Gunay Basar, Paul Leiderer, Seyma Parlatan, Nihan Arapoglu
Summary: We studied the anomalous lateral diffusion process in thin tungsten trioxide films using optical methods. The diffusion starts at imperfections within the film shortly after H+ ion intercalation begins and progresses parallel to the film surface. We measured the mean square displacement of the diffusion front and calculated the instantaneous diffusion coefficient using its time-dependence. The observed large diffusion coefficients and depth dependence of film expansion can be explained by interfacial jobsharing diffusion of electrons and protons. Raman measurements revealed an additional strong band at 855 cm-1 after the lateral diffusion, indicating the irreversible nature of this process.
SURFACES AND INTERFACES
(2023)
Article
Environmental Sciences
Esmaeel Sharifi, Rezvan Jamaledin, Fatemeh Familsattarian, Fereshteh Nejaddehbashi, Mitra Bagheri, Mohammad Chehelgerdi, Ehsan Nazarzadeh Zare, Omid Akhavan
Summary: This research evaluated the potential of bioactive chitosan@poly (ethylene oxide)@CuFe2O4 (CS@PEO@CF) nanofibers in wound healing. The nanoparticles showed antibacterial and antioxidant properties and did not adversely affect fibroblast cell viability. The nanofibrous mats promoted cell migration and growth at the wound edge, leading to enhanced wound healing and regeneration of sebaceous glands and hair follicles within the skin.
ENVIRONMENTAL RESEARCH
(2023)
Article
Energy & Fuels
Yingming Zhao, Xiang Zhang, Wenjie Li, Zitong Li, Hulin Zhang, Mingjun Chen, Wenhai Sun, Yingjun Xiao, Jiupeng Zhao, Yao Li
Summary: A controllable crystalline structure WO3 film was prepared by adjusting the power in a magnetron sputtering deposition process. The film combined the advantages of excellent cyclic stability from highly ordered structure WO3 and fast response and satisfactory coloration efficiency from highly disordered structure WO3. The adjusted WO3 sputtered film exhibited superior electrochromic properties, and an all-solid-state electrochromic device based on this film showed excellent performance.
SOLAR ENERGY MATERIALS AND SOLAR CELLS
(2022)
Article
Chemistry, Physical
V. O. Smilyk, S. S. Fomanyuk, I. A. Rusetskyi, M. O. Danilov, G. Ya Kolbasov
Summary: This paper presents a comparative analysis of the electrochromic properties of nonstoichiometric hydrated films CuWO3.7 center dot 2H(2)O, WO2.5 center dot 2H(2)O, and alpha-WO2.9 center dot H2O obtained by combined electrochemical and chemical methods. The results indicate that the chemical composition, stoichiometry, and film structure based on W oxide compounds have an impact on the electrochromic process, with CuWO3.7 center dot 2H(2)O primarily using localized states for coloration. The presence of copper oxide compounds reduces the coloration rate and efficiency of CuWO3.7 center dot 2H(2)O compared to WO2.5 center dot 2H(2)O and alpha-WO2.9 center dot H2O.
Article
Materials Science, Multidisciplinary
K. Naveen Kumar, Habibuddin Shaik, V Madhavi, R. Imran Jafri, Jyothi Gupta, G. Nithya, Sheik Abdul Sattar, G. V. Ashok Reddy
Summary: This study investigates the characteristics of tungsten oxide thin films grown using the GLAD technique at different substrate angles. The results show that the films have an amorphous structure, with columnar growth and surface porosity. As the GLAD angle increases, the optical transmittance and bandgap of the films decrease. The study also reveals that the GLAD angle influences the coloration efficiency and diffusion coefficient.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
Riesca Ayu Kusuma Wardhani, Indah Primadona, Andri Hardiansyah
Summary: In this study, electrospun alpha-mangosteen-chitosan-polyethylene oxide (PEO) nanofibers were produced and evaluated for potential biomedical applications.
MATERIALS RESEARCH EXPRESS
(2022)
Article
Materials Science, Multidisciplinary
Pritha Dutta, Subash Cherumannil Karumuthil, Rahuldeb Roy, Ashutosh K. Singh
Summary: This study proposes a simple and cost-effective chemical oxidative polymerization method to develop a highly stable and electrochromically active nanocomposite consisting of poly-(o-methoxyaniline) (PMOANI) and WO3 nanoflowers. The nanocomposite exhibits a high areal capacitance of 83 mF/cm(2) and a specific capacitance of 133.16 F/g. Moreover, an ECS device is successfully fabricated using the nanocomposite, demonstrating its stable and prolonged charge-discharge cycles and its capability as a power source with a real-time energy level indicator for a timer display.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Thi Hai Quyen Nguyen, Florian Eberheim, Sophie Goebel, Pascal Cop, Marius Eckert, Tim P. Schneider, Lukas Guembel, Bernd M. Smarsly, Derck Schlettwein
Summary: Thin, porous films of WO3 were synthesized using solution-based methods with polymeric structure-directing agents. The use of polyethylene glycol (PEG) led to fast reversible electrochromic switching and high coloration efficiency, while the use of a block copolymer (PIB50-b-PEO45) resulted in electrochromic performance similar to compact WO3. Films prepared in the presence of both PEG and PIB50-b-PEO45 showed the best characteristics with interconnected mesopores and improved electrochromic switching compared to compact or microporous WO3.
APPLIED SCIENCES-BASEL
(2022)
Article
Polymer Science
Whitney S. Loo, Chao Fang, Nitash P. Balsara, Rui Wang
Summary: This study conducted a quantitative analysis of WAXS profiles for PEO/LiTFSI mixtures at different salt concentrations, revealing abnormal scattering signatures and using molecular dynamics simulations to uncover the molecular origins of these features. While there was qualitative agreement between experimental and simulated results, quantitative discrepancies were resolved by introducing a charge rescaling factor. The simulations with charge rescaling predicted the formation of anion-rich clusters at higher salt concentrations than observed from experimental data, providing insights into short-range correlations between ions that affect clustering and ion-transport properties.
Article
Physics, Condensed Matter
Huizhong Ma, Yunlong Chen, Na Li, Cong Tan, Yan Rong, Hongye Chen, Jia Jia, Lan Zhang
Summary: In this study, WO3 films were prepared on flexible indium tin oxide/polyethylene terephthalate substrates through DC magnetron sputtering at approximately 40 degrees C, and the effects of sputtering pressure on the microstructure, morphology, and electrochromic properties of the films were investigated. The results showed that the optimal values of thickness, surface roughness, and grain size for excellent electrochromic properties of the WO3 films were achieved at 2.0 Pa sputtering pressure. The films exhibited high optical modulation amplitude, fast coloring and bleaching response times, and low electrochemical impedance.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Polymer Science
Philip Dreier, Achilleas Pipertzis, Marianna Spyridakou, Robin Mathes, George Floudas, Holger Frey
Summary: This study reports the development of single-ion-conducting polymer electrolytes (SICPEs) based on polystyrene and multifunctional poly(ethylene oxide) block copolymers. The SICPE material was obtained by synthesizing a precursor copolymer with randomly distributed hydroxyl functional groups and subsequently substituting the hydroxyl groups with BOC-protected TFSA functionalities. The obtained SICPE showed superior ionic conductivity and comparable Li-ion conductivity compared to the reference materials.
Article
Chemistry, Physical
Pratya Promchana, Kittisak Choojun, Wanwisa Limphirat, Yingyot Poo-arporn, Tawan Sooknoi
Summary: Acetylene in ethylene-rich feed can be removed via acetylene/ethylene cross-metathesis over WO3-supported catalysts at 450 degrees C, yielding 1,3-butadiene with cyclohexene as a minor product. The catalyst must be treated with ethylene at 600 degrees C to generate a genuinely active site of tungsten (IV) alkylidene species (W=CH2). The H2 treatment decreases surface W--O concentration, and hence the activity.
APPLIED CATALYSIS A-GENERAL
(2023)
Article
Engineering, Electrical & Electronic
Marco P. Rodrigues, Camila M. Cholant, Luana U. Krueger, Lourenzo M. Rodrigues, Javier A. Gomez, Joao F. Prolo Filho, Wladimir H. Flores, Andre Guendel, Agnieszka Pawlicka, Cesar O. Avellaneda
Summary: This study investigates the physical and electrochemical properties of WO3 thin films and their electrochromic mechanism using experiments and a mathematical model. The results show high performance in electrochromic efficiency, optical modulation, charge density, and reversibility of color change. The relationship between electrochromic and electrochemical reactions is confirmed by analyzing the data from various characterization techniques.
JOURNAL OF ELECTRONIC MATERIALS
(2021)
Article
Chemistry, Inorganic & Nuclear
Yuanyuan Cui, Qinfan Wang, Guang Yang, Yanfeng Gao
Summary: Through simulation calculations, it was found that Li+-intercalated WO3 exhibits the highest modulation efficiency in the visible light region, while Na+-intercalated WO3 shows the highest modulation efficiency in the infrared light region. Additionally, as the size of the intercalated ions decreases, the diffusion energy barriers also decrease.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Chemistry, Applied
Regiane G. de Lima, Flavia C. R. Lisoni, Thais B. Picao, Fransergio F. dos Santos, Renato P. Orenha, Alexandre Borges, Eduardo F. Molina, Renato L. T. Parreira, Marcio L. A. e Silva, Mario F. C. Santos, Rosangela da S. de Laurentiz
Summary: This study synthesized PLGA microparticles containing hinokinin, which showed cytotoxic activity against tumor cells. The encapsulation efficiency was high, leading to increased bioavailability and biological activity of hinokinin. Hinokinin was more effective in inhibiting the proliferation of SiHa cells when encapsulated in PLGA compared to free hinokinin.
NATURAL PRODUCT RESEARCH
(2022)
Article
Chemistry, Applied
Thais C. Lima, Lizandra G. Magalhaes, Lucas A. de L. Paula, Wilson R. Cunha, Ana H. Januario, Patricia M. Pauletti, Jairo K. Bastos, Fransergio F. dos Santos, Moacir R. Forim, Rosangela S. Laurentiz, Fernanda A. Santos, Renato P. Orenha, Renato L. T. Parreira, Carlos A. Fuzo, Eduardo F. Molina, Mario F. C. Santos, Marcio L. A. e Silva
Summary: The study demonstrated that the preparation of poly-epsilon-caprolactone nanoparticles can achieve slow release of lignan dinitrohinokinin, with smaller diameter nanocapsules with negative surface charge providing good stability. In in vivo experiments, nanoencapsulated dinitrohinokinin significantly reduced the number of Schistosoma mansoni in the liver and spleen.
NATURAL PRODUCT RESEARCH
(2022)
Article
Plant Sciences
Arthur Barcelos Ribeiro, Heloiza Diniz Nicolella, Lucas Henrique Domingos da Silva, Jennyfer Andrea Aldana Mejia, Matheus Hikaru Tanimoto, Sergio Ricardo Ambrosio, Jairo Kenupp Bastos, Renato Pereira Orenha, Renato Luis Tame Parreira, Denise Crispim Tavares
Summary: Guttiferone E (GE) has shown promising antineoplastic potential against melanoma cells by reducing cell viability, inhibiting proliferation, inducing apoptosis, inhibiting migration, and reducing adhesion. The mechanism of action may involve interaction with tubulin protein. These findings suggest that GE could be a potential therapeutic agent for melanoma.
Article
Biochemistry & Molecular Biology
Heloiza D. D. Nicolella, Arthur B. B. Ribeiro, Carla Carolina Munari, Matheus R. R. Melo, Saulo D. D. Ozelin, Lucas Henrique D. da Silva, Franciane Marquele-Oliveira, Renato P. P. Orenha, Rodrigo Cassio S. Veneziani, Renato Luis T. Parreira, Denise Crispim Tavares
Summary: The diterpene manool from Salvia officinalis L. was found to have cytotoxic potential against human and murine melanoma cell lines, selectively inhibiting proliferation and interfering with the cell cycle of the A375 cells. Additionally, manool exhibited an antimelanoma effect in a reconstructed human skin model.
JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Joao P. C. S. Felix, Krys E. A. Batista, Wesley O. O. Morais, Glaucio R. R. Nagurniak, Renato P. P. Orenha, Celso R. C. Rego, Diego Guedes-Sobrinho, Renato L. T. Parreira, Mateus M. M. Ferrer, Mauricio J. Piotrowski
Summary: Gold and silver subnanoclusters with few atoms have potential applications in catalysis due to their exposed lower-coordinated atoms. In this study, the interaction between Ag-n and Au-n subnanoclusters and N-2, NO, CO, and O-2 molecules was investigated using density functional theory calculations. The preferred adsorption sites were found to be the onefold top site, and the adsorption energy was correlated with the distance between molecules and clusters and the weakening of the adsorbate bond strength. The interaction energy term was identified as an excellent descriptor for the adsorption/desorption process of subnanoclusters.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Renato Pereira Orenha, Saulo Samuel Pereira Furtado, Giovanni Finoto Caramori, Mauricio Jeomar Piotrowski, Alvaro Munoz-Castro, Renato Luis Tame Parreira
Summary: Anions are important in biological processes and chemical production. Compounds with halogen bond donors enhanced by hydrogen bonds have been studied regarding their interaction with anions. The presence of -NO2 groups enhance non-covalent bonds with Cl-. The improvement from a mono to double HBeXB system enhances anion recognition.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Leticia M. P. Madureira, Luis G. G. Dias, Renato L. T. Parreira, Giovanni F. F. Caramori
Summary: closo-Carboranes have been extensively studied for their wide applications in medicine, catalysis, and energy storage. This study investigates the physical nature of interactions involving (R-CB11H11-, R = H, F, CH3, CF3) and Mq+ = Li+, Na+, Mg2+, Zn2+ ions to gain insights into the physics behind the interactions of oppositely charged ions. The findings reveal significant electrostatic and orbital contributions in such complexes, and that the strength of ionic pair interactions (R-CB11H11- <-> Mq+) is more dependent on the nature of the cation employed rather than the substituent R used. Charge transfers are not significant in these interacting systems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Renato Pereira Orenha, Saulo Samuel Pereira Furtado, Alvaro Munoz-Castro, Mauricio Jeomar Piotrowski, Giovanni Finoto Caramori, Renato Luis Tame Parreira
Summary: Ions appear as active components in diverse materials. The bonding energy between mechanically interlocked molecules (MIMs) or their derivatives and Cl- and Br- ions and/or Na+ and K+ ions has been studied. The chemical environment provided by MIMs is less preferable for recognizing ionic species compared to unconstrained interactions of acyclic molecules, but can be more suitable for ionic recognition if a chemical arrangement that supports more favorable interactions with ions is provided. The replacement of hydrogen with electron donor or acceptor groups in MIMs enhances anion/cation recognition. This study clarifies the chemical environment provided by MIMs for interacting with ions and highlights their role in ionic sensing.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Matheus S. S. Paqui, Vinicius A. Glitz, Daniele C. C. Durigon, Andre L. Amorim, Giovanni F. F. Caramori, Renato L. T. Parreira, Adailton J. J. Bortoluzzi, Fernando R. R. Xavier, Rosely A. A. Peralta
Summary: In this study, new Mn(I) carbonyl compounds were prepared using four ligands containing a pyridine, a secondary amine, and a phenolic group with different substituents. The proposed structures were confirmed through structural and physicochemical characterization. UV-Vis and IR kinetics showed the influence of substituents on the CO release mechanism. The CO release constants were determined and supported by theoretical studies.
Article
Chemistry, Physical
Rahul Parmar, Javad Rezvani, Matteo Amati, Luca Gregoratti, Decio Batista de Freitas Neto, Jose Mauricio Rosolen, Roberto Gunnella
Summary: Improvements in sodium cathodes have been debated in recent years. In this study, the significant effect of carbon nanotubes (CNTs) and their weight percent in the intercalation capacity of manganese vanadium oxide (MVO)-CNTs composite electrodes was investigated. The performance modification of the electrode was discussed, taking into account the cathode electrolyte interphase (CEI) layer. The study found that the inhomogeneous distribution of the CEI layer strongly depends on the weight percentage ratio of CNTs in the electrode nano-composite.
Article
Pharmacology & Pharmacy
Mariana C. Pagotti, Herbert J. Dias, Ana Carolina B. B. Candido, Thais A. S. Oliveira, Alexandre Borges, Nicoli D. Oliveira, Carla D. Lopes, Renato P. Orenha, Renato L. T. Parreira, Antonio E. M. Crotti, Lizandra G. Magalhaes
Summary: Chagas disease, a neglected tropical disease, affects over 8 million people. Although current therapies have limited effectiveness and high toxicity, the search for new drugs remains important. In this study, neolignans were synthesized and evaluated for their activity against Trypanosoma cruzi strains. Four neolignans demonstrated activity against the T. cruzi strain, with DBN 1 exhibiting the highest activity. In silico analysis showed that these compounds could destabilize tubulin-microtubule interactions. These compounds have potential as molecular prototypes for developing new antiparasitic drugs.
Article
Microbiology
Renata Alves de Barros, Marcela Aldrovani Rodrigues, Sergio Ricardo Ambrosio, Rodrigo Cassio Solaveneziani, Daniel Paulino Jnior, Renato Luis Tame Parreira, Maria Anita Lemos Vasconcelos Ambrosio, Thayna de Souza Silva, Lucas de Freitas Pereira, Messias Goncalves Pessinato, Vinicius Jose da Silva Cardoso de Brito, Cesar Henrique Branco, Fernanda Gosuen Goncalves Dias
Summary: This study evaluated the antimicrobial efficacy of polyhexamethylene hydrochloride guanidine (PHMGH) in oral antiseptic for wild cats. PHMGH showed promising potential at low concentrations and short contact times in reducing microbial load.
BRAZILIAN JOURNAL OF MICROBIOLOGY
(2023)
Article
Parasitology
Alexandre Borges, Ivan Pires de Oliveira, Caroline Honaiser Lescano, Renato Luis Tame Parreira, Renato Pereira Orenha, Rosangela da Silva de Laurentiz
Summary: This article investigates the larvicidal effects of cubebin, dihydrocubebin, and hinokinin, lignans extracted from the fruits of Piper cubeba, on Haemonchus contortus larvae through in vitro assays. The results show that hinokinin exhibits strong larvicidal activity by targeting the larvae's cuticle. In silico studies further reveal that hinokinin interacts with the enzyme PMT-2, thereby disrupting the synthesis of phosphocholine and hindering the development and maintenance of the nematode's cuticle.
VETERINARY PARASITOLOGY
(2023)
Article
Chemistry, Physical
Renato Pereira Orenha, Giovanni Finoto Caramori, Renato Luis Tame Parreira, Alvaro Munoz-Castro
Summary: Mechanically interlocked molecules (MIMs) have various applications and the nature of mechanical bonds in MIMs is still poorly understood. Molecular mechanics (MM) and molecular dynamics (MD) methods have been used to study MIMs, but more accurate parameters require molecular electronic structure methods. This perspective highlights studies using density functional theory (DFT) or ab initio electron correlation methods.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Renato Pereira Orenha, Alexandre Borges, Ana Livia de Oliveira Andrade, Sergio Eduardo Ferreira, Saulo Samuel Pereira Furtado, Vinicius Acir Glitz, Giovanni Finoto Caramori, Renato Luis Tame Parreira
Summary: In this study, the bonding situation between carboxylic acid or ferrocene-functionalized crown ether derivatives and cations (Li+, Na+ or K+) has been investigated and tuned by the substitution of hydrogen atoms with electron donor or acceptor groups. The deprotonation of carboxylic acid groups improved the interaction with cations, while reducing the ferrocene structures favored cationic recognition. The presence of electron donor or acceptor groups in carboxylic acid-functionalized crown ethers promoted less attractive interactions with cations.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
