Notes

Dual-Domain Mix Convolutional Sensory Network regarding Contrast Advancement 'forensics'.
Results Thirty-one 4th-year medical students participated in three offerings of the course in 2018 and 2019. There was strong student enthusiasm for the course as (1) all the available slots for each course offering were filled within 2 h of an e-mail announcement to the students; (2) student attendance was consistently very high; and (3) student feedback about the course was uniformly positive. Students reported significant increases in their confidence regarding (1) knowledge of pertinent nutrition information; (2) discussing nutrition with patients; and (3) ability to impact patient behavior through counseling (p less then 0.001). Qualitative comments suggested that students were contemplating or implementing changes in their dietary habits and food choices. Conclusion A culinary medicine course for clinically experienced medical students may improve perceived nutrition knowledge and increases confidence in counseling patients with diet-associated diseases.There is a large debate on the destabilization mechanism of emulsions. We present a simple technique using mechanical compression to destabilize oil-in-water emulsions. Upon compression of the emulsion, the continuous aqueous phase is squeezed out, while the dispersed oil phase progressively deforms from circular to honeycomb-like shapes. The films that separate the oil droplets are observed to thin and break at a critical oil/water ratio, leading to coalescence events. Electrostatic interactions and local droplet rearrangements do not determine film rupture. Instead, the destabilization occurs like an avalanche propagating through the system, starting at areas where the film thickness is smallest.Volatile organic compounds (VOCs) are ubiquitous atmospheric molecules that generate a complex network of chemical reactions in the troposphere, often triggered by the absorption of sunlight. Understanding the VOC composition of the atmosphere relies on our ability to characterize all of their possible reaction pathways. When considering reactions of (transient) VOCs with sunlight, the availability of photolysis rate constants, utilized in general atmospheric models, is often out of experimental reach due to the unstable nature of these molecules. Here, we show how recent advances in computational photochemistry allow us to calculate in silico the different ingredients of a photolysis rate constant, namely, the photoabsorption cross-section and wavelength-dependent quantum yields. The rich photochemistry of tert-butyl hydroperoxide, for which experimental data are available, is employed to test our protocol and highlight the strengths and weaknesses of different levels of electronic structure and nonadiabatic molecular dynamics to study the photochemistry of (transient) VOCs.The efficacy of plastic particle removal by municipal water treatment plants is currently uncertain, and the mechanisms involved in microplastic (MP) coagulation and flocculation have only been superficially investigated. The removal of pristine versus weathered plastic debris and the impact of plastic particle size on removal remain largely unexplored. In this study, coagulation, flocculation, and settling performances were investigated using pristine and weathered MPs (polyethylene (PE) and polystyrene (PS) microspheres, and polyester (PEST) fibers). Weathering processes that changed the surface chemistry and roughness of MPs impacted MP affinity for coagulants and flocculants. A quartz crystal microbalance with dissipation monitoring was used to identify the mechanisms involved during MP coagulation and flocculation. Measured deposition rates confirmed the relatively low affinity between plastic surfaces and aluminum-based coagulants compared to cationic polyacrylamide (PAM). In every case examined, coagulant efficiency increased when the plastic surface was weathered. Removals of 97 and 99% were measured for PEST and weathered PE, respectively. Larger pristine PE MPs were the most resistant to coagulation and flocculation, with 82% removal observed even under enhanced coagulation conditions. By understanding the interaction mechanisms, the removal of weathered MPs was optimized. Finally, this study explored the use of settled water turbidity as a possible indicator of MP removal.A highly efficient regio- and stereoselective spontaneous formal [3 + 2]-cycloaddition of CO2 in aqueous medium is developed for the one-pot synthesis of spiro[indoline-3,5'-oxazolidine]-2,2'-diones with excellent enantiopuirity (ee up to 99%) under catalyst-free and ambient conditions. The detailed study reveals NH-spiroaziridine- and 3-(aminomethyl)-3-chloro-oxindoles, two in situ generated reactive intermediate compounds for the spontaneous cycloaddition with CO2, and the latter is responsible for the stereoselectivity. An unprecedented mechanism of desulfinylation is also disclosed herewith.Two-dimensional (2D) van der Waals heterostructures have attracted enormous research interests due to their emergent electrical and optical properties. The comprehensive understanding and efficient control of interlayer couplings in such devices are crucial for realizing their functionalities, as well as for improving their performance. Here, we report a successful manipulation of interlayer charge transfer between 2D materials by varying different stacking layers consisting of graphene, hexagonal boron nitride, and tungsten disulfide. Under visible-light excitation, despite being separated by few-layer boron nitride, the graphene and tungsten disulfide exhibit clear modulation of their doping level, i.e., a change of the Fermi level in graphene as large as 120 meV and a net electron accumulation in WS2. By using a combination of micro-Raman and photoluminescence spectroscopy, we demonstrate that the modulation is originated from simultaneous manipulation of charge and/or energy transfer between each of the two adjacent layers.In a previous work, we have investigated the initial steps of the reaction of toluene with the hydroxyl radical using several quantum chemical approaches including density functional and composite post-Hartree-Fock models. Comparison of H-abstraction from the methyl group and additions at different positions of the phenyl ring showed that the former reaction channel is favored at room temperature. This conclusion appears at first sight incompatible with the experimental observation of a lower abundance of the product obtained from abstraction (benzaldehyde) with respect to those originating from addition (cresols). Further reactions of the intermediate radicals with oxygen, water, and additional OH radicals are explored in this paper through theoretical calculations on more than 120 species on the corresponding potential energy surface. The study of the addition reactions, to obtain the cresols through hydroxy methylcyclodienyl intermediate radicals, showed that only in the case of o-cresol the reaction proceeds by addition of O2 to the ring, internal H-transfer, and hydroperoxyl abstraction and not through direct H-abstraction. For both p- and m-cresol, instead, the reaction occurs through a higher-energy direct H-abstraction, thus explaining in part the observed larger concentration of the ortho isomer in the final products. It was also found that the benzyl radical, formed by H-abstraction from the methyl group, is able to react further if additional OH is present. Two reaction paths leading to o-cresol, two leading to p-cresol, and one leading to m-cresol were determined. Moreover, in this situation, the benzyl radical is predicted to produce benzyl alcohol, as was found in some experiments. The commonly accepted route to benzaldehyde was found to be not the energetically favored one. Instead, a route leading to the benzoyl radical (and ultimately to benzoic acid) with the participation of one water molecule was clearly more favorable, both thermodynamically and kinetically.A new instrument that bridges the gap between gas chromatography (GC) and liquid chromatography (LC) mass spectrometry (MS) was developed. In this instrument GC-MS and electron ionization LC-MS were combined in one MS system with method based mode changing. The LC pneumatic spray formation interface to MS was mounted on top of an otherwise unused GC detector slot and was connected with a flow restriction capillary to the MS through the GC oven and into the MS transfer line, parallel to the GC capillary column. this website The LC output mobile phase flow is directed into a spray formation and vaporization chamber. The pneumatic spray results in fine spray droplets that are thermally vaporized at a pressure equal to or greater than ambient. A portion of the vaporized mixture is directed into the heated flow restriction capillary that connects the spray formation and vaporization chamber into the electron ionization (EI) ion source, while most of the vaporized spray is released to the atmosphere. The combined GC-MS and LC-MS system can work either with standard EI or with cold EI via interfacing the flow restriction capillary into a supersonic nozzle forming a supersonic molecular beam of a vibrationally cold sample compound. We found that EI-LC-MS with cold EI has many benefits when compared with standard EI. The EI-LC-MS interface can also serve for flow injection analysis. The performance of the combined system is demonstrated in the analysis of a few sample mixtures by both GC-MS and LC-MS analysis, sequentially without hardware adjustments.Chemical exchange saturation transfer (CEST) NMR experiments have emerged as a powerful tool for characterizing dynamics in proteins. We show here that the CEST approach can be extended to systems with symmetrical exchange, where the NMR signals of all exchanging species are severely broadened. To achieve this, multiquantum CEST (MQ-CEST) is introduced, where the CEST pulse is applied to a longitudinal multispin order density element and the CEST profiles are encoded onto nonbroadened nuclei. The MQ-CEST approach is demonstrated on the restricted rotation of guanidinium groups in arginine residues within proteins. These groups and their dynamics are essential for many enzymes and for noncovalent interactions through the formation of hydrogen bonds, salt-bridges, and π-stacking interactions, and their rate of rotation is highly indicative of the extent of interactions formed. The MQ-CEST method is successfully applied to guanidinium groups in the 19 kDa L99A mutant of T4 lysozyme.Development of a visible light-induced and singlet oxygen-mediated green protocol has been accomplished for the first time for the photochemical transformation of 4-hydroxy-α-benzopyrones to a new series of biorelevant 2-hydroxy-3-oxo-2,3-dihydrobenzofuran-2-carboxamides and 2-hydroxy-3-oxo-2,3-dihydrobenzofuran-2-carboxylates using rose bengal as a triplet photosensitizer at ambient temperature. Metal-free one-pot synthesis, broader substrate scope, good-to-excellent yields, use of cost-effective and eco-friendly starting materials and photosensitizer, and energy efficiency are the salient features of this newly developed method.The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected over 7.1 million people and led to over 0.4 million deaths. Currently, there is no specific anti-SARS-CoV-2 medication. New drug discovery typically takes more than 10 years. Drug repositioning becomes one of the most feasible approaches for combating COVID-19. This work curates the largest available experimental data set for SARS-CoV-2 or SARS-CoV 3CL (main) protease inhibitors. On the basis of this data set, we develop validated machine learning models with relatively low root-mean-square error to screen 1553 FDA-approved drugs as well as another 7012 investigational or off-market drugs in DrugBank. We found that many existing drugs might be potentially potent to SARS-CoV-2. The druggability of many potent SARS-CoV-2 3CL protease inhibitors is analyzed. This work offers a foundation for further experimental studies of COVID-19 drug repositioning.
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