First-principles study of highly sensitive graphene/hexagonal boron nitride heterostructures for application in toxic gas-sensing devices.

Graphene-based sensors exhibit high sensitivity, fast response, and good selectivity towards toxic gases but have low mechanical stability. The combination of graphene and two-dimensional hexagonal boron nitride (h-BN) is expected to increase the mechanical stability and enhance the adsorption performance of these gas sensors. Using first-principles calculations, we demonstrate that two-dimensional graphene/h-BN double layers can be used as good substrates for gas sensors with a small lattice mismatch of only 1.78%. Moreover, the presence of a h-BN layer widens the band gap by about 38 meV and considerably increases the work function, thus positively affecting the gas adsorption performance. Although these graphene/h-BN heterostructures do not change the physical adsorption mechanism of these sensors concerning the graphene-based materials, these bilayers significantly enhance the sensitivity of these sensors for detecting CO2, CO, NO, and NO2 toxic gases. Particularly, compared to the pristine graphene-based materials, the gas adsorption energies of graphene/h-BN increased by up to 13.78% for the adsorption of NO, and the shortest distances between the graphene/h-BN substrates and adsorbed gas molecules decreased. We also show that the graphene/h-BN heterostructure is more selective towards NOx gases while more inert towards COx gases, based on the different amounts of charge transferred from the substrate to the adsorbed gas molecules. Using the non-equilibrium Green functions in the context of density functional theory, we quantitatively associated these charge transfers with the reduction of the current passing through these scattering regions. These results demonstrate that graphene/h-BN heterostructures can be exploited as highly sensitive and selective room-temperature gas sensors for detecting toxic gases.

Graphene as a Sensor for Lung Cancer: Insights into Adsorption of VOCs Using vdW DFT.

The adsorption mechanism of individual volatile organic compounds (VOCs) on the surface of graphene is investigated using nonempirical van der Waals (vdW) density functional theory. The VOCs chosen as adsorbates are ethanol, benzene, and toluene, which are found in the exhaled breath of lung cancer patients. The most energetically favorable configurations of the adsorbed systems, adsorption energy profiles, charge transfer, and work function are calculated. The fundamental insight into the interactions between the considered VOC molecules and graphene through molecular doping, i.e., charge transfer, is estimated. It is found that the adsorption energy is highly sensitive to the vdW functionals. Adsorption energies calculated by revPBE-vdW are in good agreement with the available experimental data, and the revPBE-vdW functional can cover well the physical phenomena behind the adsorption of these VOCs on graphene. Bader charge analysis shows that 0.064, 0.042, and 0.061e of charge were transferred from the graphene surface to ethanol, benzene, and toluene, respectively. All of the considered VOCs act as electron acceptors from graphene. By analyzing the electronic structure of the adsorption systems, we found that the energy level of the highest occupied molecular orbitals of these considered VOCs is shifted backward toward the Fermi level. The interaction of the VOCs with the π and π* states of the C atoms in graphene breaks the symmetry of graphene, leading to the opening of a band gap at the Fermi level. The adsorption of these considered VOCs onto the pristine graphene produces a band gap of 5-12 meV.

Parenchymal-sparing anatomical hepatectomy based on portal ramification of the right anterior section: A prospective multicenter experience with short-term outcomes.

Backgrounds/Aims: Parenchymal-sparing anatomical hepatectomy (Ps-AH) based on portal ramification of the right anterior section (RAS) is a new technique to avoid unnecessarily transecting too much liver parenchyma, especially in cases of major anatomical hepatectomy. Methods: We prospectively assessed 26 patients with primary hepatic malignancies having undergone major Ps-AH based on portal ramification of the RAS from August 2018 to August 2022 (48 months). The perioperative indications, clinical data, intra-operative index, pathological postoperative specimens, postoperative complications, and follow-up results were retrospectively evaluated. Results: Among the 26 patients analyzed, there was just one case that had intrahepatic cholangiocarcinoma The preoperative level of α-Fetoprotein was 25.2 ng/mL. All cases (100%) had Child-Pugh A liver function preoperatively. The ventral/dorsal RAS was preserved in 19 and 7 patients, respectively. The mean surgical margin was 6.2 mm. The mean surgical time was 228.5 minutes, while the mean blood loss was 255 mL. In pathology, 5 cases (19.2%) had microvascular invasion, and in the group of HCC patients, 92% of all cases had moderate or poor tumor differentiation. Six cases (23.1%) of postoperative complications were graded over III according to the Clavien-Dindo system, including in three patients resistant ascites or intra-abdominal abscess that required intervention. Conclusions: Parenchymal-sparing anatomical hepatectomy based on portal ramification of the RAS to achieve R0-resection was safe and effective, with favorable short-term outcomes. This technique can be used widely in clinical practice.

Fractionation, identification of chemical constituents, and biological properties of cashew (Anacardium occidentale L.) leaf extracts.

The current study aimed to identify the chemical constituents and bioactivities of the crude ethanolic extract (CEE) and its fractions (ethyl acetate (EAF), hexane (HEF), and aqueous (AEF)) from leaves of cashew (Anacardium occidentale L.) grown in Vietnam. A total of 31 compounds which belong to alkanes, hydrocarbons, iodine, terpenoids, phenolics, and flavonoids were determined by a gas chromatography-mass spectrometry (GC-MS) analysis, with bis(2-ethylhexyl) phthalate being the most prevailing compound. The highest total phenolic and flavonoid contents were obtained in the EAF, followed by HEF, CEE, and AQF. All samples showed promising in vitro antibacterial activity, enzyme inhibition, and anticancer activity. Among the samples tested, the EAF exhibited the highest enzyme inhibition activity against α-amylase and α-glucosidase (IC50 values of 51.24 µg/mL and 99.29 µg/mL, respectively), cytotoxicity activity against HeLa cells (IC50 value of 79.49 µg/mL), and antibacterial activity against Bacillus subtilis and Escherichia coli with MIC values of 5 mg/mL and 2.5 mg/mL, respectively. These findings suggest that the leaves of A. occidentale cultivated in Vietnam are a promising source of bioactive components and that EAF is a promising bioactive material warranting further pharmaceutical investigation.

Advances in magnetic field-assisted electrolyte's physicochemical properties and electrokinetic parameters: A case study on the response ability of chloramphenicol on Fe3O4@carbon spheres-based electrochemical nanosensor.

Despite the utilization of external magnetic field (MF) in promoting the intrinsic unique features of magnetic nanomaterials in many different applications has been reported, however the origin of MF-dependent electrochemical behaviors as well as the electrochemical response of analytes at the electrode in sensor applications is still not clear. In this report, the influence of MF on the electrolyte's physicochemical properties (polarization, mass transport, charge/electron transfer) and electrode's properties (conductivity, morphology, surface area, interaction, adsorption capability, electrocatalytic ability) was thoroughly investigated. Herein, the working electrode surface was modified with carbon spheres (CSs), magnetic nanoparticles (Fe3O4NPs), and their nanocomposites (Fe3O4@CSs), respectively. Then, they were directly used to enhance the electrochemical characteristics and response-ability of chloramphenicol (CAP). More interestingly, a series of various kinetic parameters related to the diffusion-controlled process of K3[Fe(CN)6]/K4[Fe(CN)6)] and the adsorption-controlled process of CAP were calculated at the bare electrode and the modified electrodes with and without the presence of MF. These parameters not only exhibit the crucial role of the modification of electrode surface with the proposed materials but also show positive impacts of the presence of external MF. Besides, the mechanism and hypothesis for the enhancements were proposed and discussed in detail, further demonstrating the development potential of using Fe3O4@CS nanocomposites with MF assistant for advanced energy, environmental, and sensor related-applications.

A state-of-the-art review on graphene-based nanomaterials to determine antibiotics by electrochemical techniques.

Antibiotics might build up into the human body by foodstuff metabolism, posing a serious threat to human health and safety. Establishing simple and sensitive technology for quick antibiotic evaluation is thus extremely important. Nanomaterials (or NMTs) with the advantage of possessing merits such as remarkable optical, thermal, mechanical, and electrical capabilities have been highlighted as a piece of the best promising materials for rising new paths in the creation of the future generation biosensors. This paper presents the most recent advances in the use of graphene NMTs-based biosensors to determine antibiotics. Gr-NMTs (or graphene nanomaterials) have been used in the development of a biosensor for the electrochemical signal-transducing process. The rising issues and potential chances of this field are contained to give a plan for forthcoming research orientations. As a result, this review provides a comprehensive evaluation of the nanostructured electrochemical sensing approach for antibiotic residues in various systems. In this review, various electrochemical techniques such as CV, DPV, Stripping, EIS, LSV, chronoamperometry, SWV were employed to determine antibiotics. Additionally, this also demonstrates how graphene nanomaterials are employed to detect antibiotics.

MRI Simulation-based evaluation of an efficient under-sampling approach.

Compressive sampling (CS) has been commonly employed in the field of magnetic resonance imaging (MRI) to accurately reconstruct sparse and compressive signals. In a MR image, a large amount of encoded information focuses on the origin of the k-space. For the 2D Cartesian K-space MRI, under-sampling the frequency-encoding (kx) dimension does not affect to the acquisition time, thus, only the phase-encoding (ky) dimension can be exploited. In the traditional random under-sampling approach, it acquired Gaussian random measurements along the phaseencoding (ky) in the k-space. In this paper, we proposed a hybrid under-sampling approach; the number of measurements in (ky) is divided into two portions: 70% of the measurements are for random under-sampling and 30% are for definite under-sampling near the origin of the k-space. The numerical simulation consequences pointed out that, in the lower region of the under-sampling ratio r, both the average error and the universal image quality index of the appointed scheme are drastically improved up to 55 and 77% respectively as compared to the traditional scheme. For the first time, instead of using highly computational complexity of many advanced reconstruction techniques, a simple and efficient CS method based simulation is proposed for MRI reconstruction improvement. These findings are very useful for designing new MRI data acquisition approaches for reducing the imaging time of current MRI systems.

Detection of Delamination with Various Width-to-depth Ratios in Concrete Bridge Deck Using Passive IRT: Limits and Applicability.

In bridge structures, concrete decks have a higher risk of damage than other components owing to the direct impact of traffic. This study aims to develop a comprehensive system for bridge inspection using passive infrared thermography (IRT). Experiments were conducted on a concrete specimen (assumed as the surface of the bridge deck) embedded artificial delaminations with different width-to-depth ratios (WTDRs). Both professional handheld IR camera (H-IRC) and a UAV mounted with an IR camera (UAV-IRC) were employed simultaneously to capture the surface temperature of the structure. The present work indicates that the passive IRT technique with an H-IRC can be used to detect delaminations located at depths of 4 cm or less from the structure surface if the WTDRs are not lesser than 1.9 for daytime and 2.5 for nighttime when testing on a sunny day. In addition, the larger the WTDR, the higher the temperature difference can be produced, thus delaminations could be observed more clearly. Furthermore, our study suggests that the concrete bridge deck inspection using passive IRT can produce appropriate results if the inspection is performed from 10:00 to 15:00 or from 19:30 to approximately 2:00 on a sunny day. Good agreement between the results obtained from tests using H-IRC and UAV-IRC was observed, which validates the application of UAV-IRC in real structure inspection.

Effects of Ambient Temperature and Relative Humidity on Subsurface Defect Detection in Concrete Structures by Active Thermal Imaging.

Active thermal imaging is an effective nondestructive technique in the structural health monitoring field, especially for concrete structures not exposed directly to the sun. However, the impact of meteorological factors on the testing results is considerable and should be studied in detail. In this study, the impulse thermography technique with halogen lamps heat sources is used to detect defects in concrete structural components that are not exposed directly to sunlight and not significantly affected by the wind, such as interior bridge box-girders and buildings. To consider the effect of environment, ambient temperature and relative humidity, these factors are investigated in twelve cases of testing on a concrete slab in the laboratory, to minimize the influence of wind. The results showed that the absolute contrast between the defective and sound areas becomes more apparent with an increase of ambient temperature, and it increases at a faster rate with large and shallow delaminations than small and deep delaminations. In addition, the absolute contrast of delamination near the surface might be greater under a highly humid atmosphere. This study indicated that the results obtained from the active thermography technique will be more apparent if the inspection is conducted on a day with high ambient temperature and humidity.

Viruses Occur Incorporated in Biogenic High-Mg Calcite from Hypersaline Microbial Mats.

Using three different microscopy techniques (epifluorescence, electronic and atomic force microscopy), we showed that high-Mg calcite grains in calcifying microbial mats from the hypersaline lake "La Salada de Chiprana", Spain, contain viruses with a diameter of 50-80 nm. Energy-dispersive X-ray spectrometer analysis revealed that they contain nitrogen and phosphorus in a molar ratio of ~9, which is typical for viruses. Nucleic acid staining revealed that they contain DNA or RNA. As characteristic for hypersaline environments, the concentrations of free and attached viruses were high (>10(10) viruses per g of mat). In addition, we showed that acid treatment (dissolution of calcite) resulted in release of viruses into suspension and estimated that there were ~15 × 10(9) viruses per g of calcite. We suggest that virus-mineral interactions are one of the possible ways for the formation of nano-sized structures often described as "nanobacteria" and that viruses may play a role in initiating calcification.

Coral Mucus Is a Hot Spot for Viral Infections.

There is increasing suspicion that viral communities play a pivotal role in maintaining coral health, yet their main ecological traits still remain poorly characterized. In this study, we examined the seasonal distribution and reproduction pathways of viruses inhabiting the mucus of the scleractinians Fungia repanda and Acropora formosa collected in Nha Trang Bay (Vietnam) during an 11-month survey. The strong coupling between epibiotic viral and bacterial abundance suggested that phages are dominant among coral-associated viral communities. Mucosal viruses also exhibited significant differences in their main features between the two coral species and were also remarkably contrasted with their planktonic counterparts. For example, their abundance (inferred from epifluorescence counts), lytic production rates (KCN incubations), and the proportion of lysogenic cells (mitomycin C inductions) were, respectively, 2.6-, 9.5-, and 2.2-fold higher in mucus than in the surrounding water. Both lytic and lysogenic indicators were tightly coupled with temperature and salinity, suggesting that the life strategy of viral epibionts is strongly dependent upon environmental circumstances. Finally, our results suggest that coral mucus may represent a highly favorable habitat for viral proliferation, promoting the development of both temperate and virulent phages. Here, we discuss how such an optimized viral arsenal could be crucial for coral viability by presumably forging complex links with both symbiotic and adjacent nonsymbiotic microorganisms.