Harnessing Greenhouse Gases Absorption by Doped Fullerenes with Externally Oriented Electric Field

In this work, a theoretical investigation of the effects caused by the doping of C₂₀ with silicon (Si) atom as well as the adsorption of CO, CO₂ and N₂ gases to C₂₀ and C₁₉Si fullerenes was carried out. In concordance with previous studies, it was found that the choice of the doping site can control the structural, electronic, and energetic characteristics of the C₁₉Si system. The ability of C₂₀ and C₁₉Si to adsorb CO, CO₂ and N₂ gas molecules was evaluated. In order to modulate the process of adsorption of these chemical species to C₁₉Si, an externally oriented electric field was included in the theoretical calculations. It was observed that C₁₉Si is highly selective with respect to CO adsorption. Upon the increase of the electric field intensity the adsorption energy was magnified correspondingly and that the interaction between CO and C₁₉Si changes in nature from a physical adsorption to a partial covalent character interaction.     

Visibility Graph Analysis of Reservoir-Triggered Seismicity: The Case of Song Tranh 2 Hydropower,Vietnam

In this study, the visibility graph analysis of seismicity triggered by Song Tranh 2 hydropower (Vietnam) is performed. The relationship between the seismic (the Gutenberg–Richter b-value) and topological (the k–M slope) parameters of seismicity is analysed. Our findings indicate that the relationship between the Gutenberg–Richter b-value and the k–M slope of the investigated seismicity is in agreement with that characterising the tectonic seismicity. The results obtained from analysing the reservoir-triggered seismicity of Song Tranh 2 area could contribute to better characterisation of the relationship between the seismological and topological parameters of seismicity, strengthening the universal character of the relationship between the b-value and the k–M slope.     

Duguetia pycnastera Sandwith (Annonaceae) Leaf Essential Oil Inhibits HepG2 Cell Growth In Vitro and In Vivo

Duguetia pycnastera Sandwith (Annonaceae) is a tropical tree that can be found in the Guyanas, Bolivia, Venezuela, and Brazil. In Brazil, it is popularly known as “ata”, “envira”, “envira-preta”, and “envira-surucucu”. In the present work, we investigated the in vitro and in vivo HepG2 cell growth inhibition capacity of D. pycnastera leaf essential oil (EO). The chemical composition of the EO was determined by GC–MS and GC–FID analyses. The alamar blue assay was used to examine the in vitro cytotoxicity of EO in cancer cell lines and non-cancerous cells. In EO-treated HepG2 cells, DNA fragmentation was measured by flow cytometry. The in vivo antitumor activity of the EO was assessed in C.B-17 SCID mice xenografted with HepG2 cells treated with the EO at a dosage of 40 mg/kg. Chemical composition analysis displayed the sesquiterpenes α-gurjunene (26.83%), bicyclogermacrene (24.90%), germacrene D (15.35%), and spathulenol (12.97%) as the main EO constituents. The EO exhibited cytotoxicity, with IC₅₀ values ranging from 3.28 to 39.39 μg/mL in the cancer cell lines SCC4 and CAL27, respectively. The cytotoxic activity of the EO in non-cancerous cells revealed IC₅₀ values of 16.57, 21.28, and >50 μg/mL for MRC-5, PBMC, and BJ cells, respectively. An increase of the fragmented DNA content was observed in EO-treated HepG2 cells. In vivo, EO displayed tumor mass inhibition activity by 47.76%. These findings imply that D. pycnastera leaf EO may have anti-liver cancer properties.     

Synthesis,Chiral Resolution and Enantiomers Absolute Configuration of 4-Nitropropranolol and 7-Nitropropranolol

We recently identified 6-nitrodopamine and other nitro-catecholamines (6-nitrodopa, 6-nitroadrenaline), indicating that the endothelium has the ability to nitrate the classical catecholamines (dopamine, noradrenaline, and adrenaline). In order to investigate whether drugs could be subject to the same nitration process, we synthesized 4-nitro- and 7-nitropropranolol as probes to evaluate the possible nitration of the propranolol by the endothelium. The separation of the enantiomers in very high yields and excellent enantiopurity was achieved by chiral HPLC. Finally, we used Riguera’s method to determine the absolute configuration of the enantiomers, through double derivatization with MPA and NMR studies.     

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Multifractal Analysis of MODIS Aqua and Terra Satellite Time Series of Normalized Difference Vegetation Index and Enhanced Vegetation Index of Sites Affected by Wildfires

The MODIS Aqua and Terra Normalized Difference Vegetation Index (NDVI) and Enhanced Vegetation Index (EVI) time series acquired during nearly two decades (2000 to 2020) covering the area burned by the Camp Fire (California) in 2018 is investigated in this study by using the multifractal detrended fluctuation analysis in relation to the recovery process of vegetation after fire. In 2008, the same area was partially burned by two wildfires, the BTU Lightning Complex Fire and the Humboldt Fire. Our results indicate that all vegetation index time series are featured by six- and twelve-month modulating periodicities, with a larger spectral content at longer periods for two-fire-affected sites. Furthermore, two fires cause an increase of the persistence of the NDVI and EVI time series and an increase of the complexity, suggesting that the recovery process of vegetation dynamics of fire-affected sites is characterized by positive feedback mechanisms, driving the growth-generating phenomena, which become even more effective in those sites affected by two fires.     

Vibrational spectroscopic studies,theoretical aspects,and X-ray analysis of xanthenodiones (1,8-dioxooctahydroxanthenes)

Compounds containing a pyran moiety fused to two cyclohexen-2-one rings are collectively called xanthenodiones (1,8-dioxooctahydroxanthenes). With the aim of increasing the knowledge about the structures of xanthenodiones, in the present investigation two xanthenodiones, namely 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione ( 1 ) and 9-(4-hydroxyphenyl)-3,6-diisopropyl 3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione ( 2 ), were synthesized. Their structures were investigated by nuclear magnetic resonance, single-crystal X-ray diffraction, infrared (IR), and Raman spectroscopy techniques along with mass spectrometry. In addition, a computational study was carried out involving vibrational spectroscopy, which allowed us to assign vibrational modes and their shifts as lattice environment. Even though compound 2 has two stereocenters, it crystallized in a centrosymmetric space group (P2₁/c) as expected from its achiral synthesis. This compound also crystallized as monohydrate and the presence of water molecule did not change the conformation of the target compounds.     

Personalized Reusable Face Masks with Smart Nano-Assisted Destruction of Pathogens for COVID-19: A Visionary Road

The Coronavirus disease 2019 (COVID-19) emergency has demonstrated that the utilization of face masks plays a critical role in limiting the outbreak. Healthcare professionals utilize masks all day long without replacing them very frequently, thus representing a source of cross-infection for patients and themselves. Nanotechnology is a powerful tool with the capability to produce nanomaterials with unique physicochemical and antipathogen properties. Here, how to realize non-disposable and highly comfortable respirators with light-triggered self-disinfection ability by bridging bioactive nanofiber properties and stimuli-responsive nanomaterials is outlined. The visionary road highlighted in this Concept is based on the possibility of developing a new generation of masks based on multifunctional membranes where the presence of nanoclusters and plasmonic nanoparticles arranged in a hierarchical structure enables the realization of a chemically driven and on-demand antipathogen activities. Multilayer electrospun membranes have the ability to dissipate humidity present within the mask, enhancing the wearability and usability. The photothermal disinfected membrane is the core of these 3D printed and reusable masks with moisture pump capability. Personalized face masks with smart nano-assisted destruction of pathogens will bring enormous advantages to the entire global community, especially for front-line personnel, and will open up great opportunities for innovative medical applications.