Old trees bloom new flowers, lysosome targeted near-infrared fluorescent probe for ratiometric sensing of hypobromous acid in vitro and in vivo based on Nile red skeleton.

Hypobromous acid (HOBr), one of the significant reactive oxygen species (ROS) that acts as an important role in human immune system, however the increasing level of HOBr in human body can cause the disorder of eosinophils (EPO), leading to oxidative stress in organelles, and further causing a series of diseases. In this study, a ratiometric fluorescent probe DMBP based on Nile red skeleton was developed to detect HOBr specifically by the electrophilic substitution with HOBr. DMBP emits near-infrared (NIR) fluorescence at 653 nm, after reacting with HOBr, the emission wavelength of DMBP shifted blue and a new peak appeared at 520 nm, realizing a ratiometric examination of HOBr with a limit of detection of 89.00 nM. Based on its sensitive and specific response to HOBr, DMBP was applied in the visual imaging of HOBr in HepG2 cells and zebrafish. Foremost, probe DMBP has excellent lysosome targeting ability and NIR emission reduced the background interference of biological tissues, providing a potential analytical tool to further investigate the role of HOBr in lysosome.

Fluorescence fingerprint as an indicator to identify urban non-point sources in urban river during rainfall period.

Nowadays, the urban non-point source (NPS) pollution gradually evolved as the main contributor to urban water contamination since the point source pollution was effectively controlled. It was imperative to perform urban NPS identification in urban river to meet the requirements of precise source governance. In this study, the real-time detection about water quality parameters and fluorescence fingerprints (FFs) was performed for BX River and its outlets during rainfall period. EEM-PARAFAC and component similarity analyses discovered that the pollution encountered by BX River mainly came from road runoff and untreated municipal wastewater (UMWW) overflow. The C1 (tryptophan-like) and C3 (terrestrial humic-like) components located at Ex/Em = âˆ¼230(280)/340 and ∼275/430 nm were both detected in these two kinds of urban NPS. The C2 components of road runoff and UMWW overflow displayed remarkable differences, which located at Ex/Em = 250/385 and 245/365 nm, respectively, thus could be served as indicators for distinguishing them. During rainfall period, the outflow from rainwater outlets (RWOs) constantly showed similar FF features to road runoff, while the FFs of outflow from combined sewer outlets (CSOs) alternated between those of road runoff and UMWW overflow. The FF features of sections in BX River changed in response to the dynamic variations in FFs of the outlets, which revealed real-time pollution causes of BX River. This work not only realized the identification and differentiation of urban NPS, but also elucidated the dynamic variations of pollution characteristics throughout the entire process of "urban NPS-outlets-urban river", and demonstrated the feasibility of FF technique in quickly diagnosing the pollution causes of urban river during rainfall period, which provided important guidance for urban NPS governance.

Denoising coherent Doppler lidar data based on a U-Net convolutional neural network.

The coherent Doppler wind lidar (CDWL) has long been thought to be the most suitable technique for wind remote sensing in the atmospheric boundary layer (ABL) due to its compact size, robust performance, and low-cost properties. However, as the coherent lidar exploits the Mie scattering from aerosol particles, the signal intensity received by the lidar is highly affected by the concentration of aerosols. Unlike air molecules, the concentration of aerosol varies greatly with time and weather, and decreases dramatically with altitude. As a result, the performance of the coherent lidar fluctuates greatly with time, and the detection range is mostly confined within the planetary boundary layer. The original data collected by the lidar are first transformed into a spectrogram and then processed into radial wind velocities utilizing algorithms such as a spectral centroid. When the signal-to-noise ratio (SNR) is low, these classic algorithms fail to retrieve the wind speed stably. In this work, a radial wind velocity retrieving algorithm based on a trained convolutional neural network (CNN) U-Net is proposed for denoising and an accurate estimate of the Doppler shift in a low-SNR regime. The advantage of the CNN is first discussed qualitatively and then proved by means of a numerical simulation. Simulated spectrum data are used for U-Net training and testing, which show that the U-Net is not only more accurate than the spectral centroid but also achieves a further detection range. Finally, joint observation data from the lidar and radiosonde show excellent agreement, demonstrating that the U-Net-based retrieving algorithm has superior performance over the traditional spectral centroid method both in accuracy and detection range.

Synthesis of Phase Junction Cadmium Sulfide Photocatalyst under Sulfur-Rich Solution System for Efficient Photocatalytic Hydrogen Evolution.

Photocatalyst with excellent semiconductor properties is the key point to realize the efficient photocatalytic hydrogen evolution (PHE). As a representative binary metal sulfide (BMS) semiconductor, cadmium sulfide (CdS) possesses suitable bandgap of 2.4 eV and negative conduction band potential, which has a great potential to realize efficient visible-light PHE performance. In this work, CdS with unique cubic/hexagonal phase junction is facilely synthesized through a sulfur-rich butyldithiocarbamate acid (BDCA) solution process. The results illustrate that the phase junction can efficiently enhance the separation and transfer of photogenerated electron-hole pairs, resulting in an excellent PHE performance. In addition, the sulfur-rich property of BDCA solution leads to the absence of additional sulfur sources during the synthesis of CdS photocatalyst, which greatly simplifies the fabrication process. The optimal PHE rate of the BDCA-synthesized phase junction CdS photocatalyst is 7.294 mmol g-1  h-1 and exhibits a favorable photostability. Moreover, density function theory calculations indicated that the apparent redistribution of charge density in the cubic/hexagonal phase junction regions gives a suitable hydrogen adsorption capacity, which is responsible for the enhanced PHE activity.

Atomic Friction Processes of Two-Dimensional Materials.

In this Perspective, we present the recent advances in atomic friction measured of two-dimensional materials obtained by friction force microscopy. Starting with the atomic-scale stick-slip behavior, a beautiful highly nonequilibrium process, we discuss the main factors that contribute to determine sliding friction between single asperity and a two-dimensional sheet including chemical identity of material, thickness, external load, sliding direction, velocity/temperature, and contact size. In particular, we focus on the latest progress of the more complex friction behavior of moiré systems involving 2D layered materials. The underlying mechanisms of these frictional characteristics observed during the sliding process by theoretical and computational studies are also discussed. Finally, a discussion and outlook on the perspective of this field are provided.

Dodecylation of molybdenum disulfide and its electrochemical properties for hydrogen evolution reaction.

Functionalization of MoS2was achieved by treatment in a strongly reducing sodium naphthalene solution. Dodecyl was grafted onto MoS2nanosheets using alkyl sulphates as electrophiles to obtain dodecylated MoS2without affecting the MoS2crystalline structure. Superior electrocatalytic properties are obtained for dodecylated MoS2. The polarisation curve of this nanomaterial remained constant even after 1000 consecutive cycles. This route provides a new pathway for covalent functionalization of MoS2and might find a variety of applications, such as electrocatalysts.

Load-induced dynamical transitions at graphene interfaces.

The structural superlubricity (SSL), a state of near-zero friction between two contacted solid surfaces, has been attracting rapidly increasing research interest since it was realized in microscale graphite in 2012. An obvious question concerns the implications of SSL for micro- and nanoscale devices such as actuators. The simplest actuators are based on the application of a normal load; here we show that this leads to remarkable dynamical phenomena in microscale graphite mesas. Under an increasing normal load, we observe mechanical instabilities leading to dynamical states, the first where the loaded mesa suddenly ejects a thin flake and the second characterized by peculiar oscillations, during which a flake repeatedly pops out of the mesa and retracts back. The measured ejection speeds are extraordinarily high (maximum of 294 m/s), and correspond to ultrahigh accelerations (maximum of 1.1×1010 m/s2). These observations are rationalized using a simple model, which takes into account SSL of graphite contacts and sample microstructure and considers a competition between the elastic and interfacial energies that defines the dynamical phase diagram of the system. Analyzing the observed flake ejection and oscillations, we conclude that our system exhibits a high speed in SSL, a low friction coefficient of 3.6×10-6, and a high quality factor of 1.3×107 compared with what has been reported in literature. Our experimental discoveries and theoretical findings suggest a route for development of SSL-based devices such as high-frequency oscillators with ultrahigh quality factors and optomechanical switches, where retractable or oscillating mirrors are required.

Safe Region of Craniotomy to Access the Cerebellopontine Region by Retrosigmoid Approach: A Radiological and Anatomical Study.

Accurately positioning the sigmoid sinus (SS), transverse sinus (TS), and vertebral artery (VA) is significantly important during the retrosigmoid (RS) approach. This study aimed to use emissary vein and digastric point as landmarks in high-resolution computer topographic image to locate the SS, TS, and VA to help surgeons to avoid injuring these vascular structures during RS craniotomy. Computed topographic (CT) angiography images of 107 individuals were included, the measurement was performed on coronal, sagittal, and axis planes after the multiplanar reformation. Distance from the emissary vein and digastric point to the posterior boundary of the SS, inferior boundary of the TS were measured by CT angiography preoperatively and in the skull intraoperatively. The VA was also located by emissary vein and digastric point. No significant difference was identified between the distances measured in the CT and skull. Our findings provide anatomical information for locating the boundary of the SS, TS, and V3-VA based on the fixed bony landmarks. Verified by skull measurement, high-resolution CT scan is a cost-effective and reliable tool for identifying the location of the arteries and sinus, which could be widely used to guarantee the safety of RS approach craniectomy.

Velocity Dependence of Moiré Friction.

Friction force microscopy experiments on moiré superstructures of graphene-coated platinum surfaces demonstrate that in addition to atomic stick-slip dynamics, a new dominant energy dissipation route emerges. The underlying mechanism, revealed by atomistic molecular dynamics simulations, is related to moiré ridge elastic deformations and subsequent relaxation due to the action of the pushing tip. The measured frictional velocity dependence displays two distinct regimes: (i) at low velocities, the friction force is small and nearly constant; and (ii) above some threshold, friction increases logarithmically with velocity. The threshold velocity, separating the two frictional regimes, decreases with increasing normal load and moiré superstructure period. Based on the measurements and simulation results, a phenomenological model is derived, allowing us to calculate friction under a wide range of room temperature experimental conditions (sliding velocities of 1-104 nm/s and a broad range of normal loads) and providing excellent agreement with experimental observations.

A dynamic physical-distancing model to evaluate spatial measures for prevention of Covid-19 spread.

Motivated by the global pandemic of COVID-19, this study investigates the spatial factors influencing physical distancing, and how these affect the transmission of the SARS-CoV-2 virus, by integrating pedestrian dynamics with a modified susceptible-exposed-infectious model. Contacts between infected and susceptible pedestrians are examined by determining physical-distancing pedestrian dynamics in three types of spaces, and used to estimate the proportion of newly infected pedestrians in these spaces. Desired behaviour for physical distancing can be observed from simulation results, and aggregated simulation findings reveal that certain layouts enable physical distancing to reduce the transmission of SARS-CoV-2. We also provide policymakers with several design guidelines on how to proactively design more effective and resilient space layouts in the context of pandemics to keep low transmission risks while maintaining a high pedestrian volume. This approach has enormous application potential for other infectious-disease transmission and space assessments.

Structural Superlubricity Based on Crystalline Materials.

Herein, structural superlubricity, a fascinating phenomenon where the friction is ultralow due to the lateral interaction cancellation resulted from incommensurate contact crystalline surfaces, is reviewed. Various kinds of nano- and microscale materials such as 2D materials, metals, and compounds are used for the fabrication. For homogeneous frictional pairs, superlow friction forces exist in most relative orientations with incommensurate configuration. Heterojunctions bear no resemblance to homogeneous contact, since the lattice constants are naturally mismatched which leads to a robust structural superlubricity with any orientation of the two different surfaces. A discussion on the perspectives of this field is also provided to meet the existing challenges and chart the future.

Low-temperature laminar flow ward for the treatment of multidrug resistance Acinetobacter baumannii pneumonia.

This study was designed to investigate the effect of low-temperature laminar flow ward (LTLFW) on the Acinetobacter baumannii pneumonia (MDR-ABP) in neurosurgical intensive care unit (NICU) patients. We evaluated whether patients in a LTLFW had significantly improved clinical outcomes as compared to those in nonconstant-temperature NICU (room temperature). The association of temperature with the prevalence of ABP and A. baumannii isolates (ABI) found in NICU patients was specifically investigated. In vitro microbiological experiments were conducted to measure the proliferation, antibiotic sensitivity, and genomic profiles of A. baumannii (AB) that grew in variable temperatures. MDR-ABP patients in LTLFW had significantly improved outcomes than those in the room temperature NICU. In addition, the numbers of ABI were positively associated with mean ambient outdoor temperatures (P = 0.002), with the incidence of ABP and average numbers of ABI among NICU patients being substantially lower in the winter as compared to other seasons. However, there were no significant seasonal variations in the other strains of the top five bacteria. Consistent with these clinical observations, AB growing at 20°C and 25°C had significantly reduced viability and antibiotic resistance compared to those growing at 35°C. The expression of genes related to AB survival ability, drug resistance, and virulence also differed between AB growing at 20°C and those at 35°C. LTLFW is effective in promoting the recovery of MDR-ABP patients because low temperatures reduced the density and virulence of AB and enhanced the efficacy of antibiotics, likely at the genetic level.

Influence of elastic property on the friction between atomic force microscope tips and 2D materials.

The relationship between the elastic property of solid materials and friction has been discussed and studied by theoretical calculation and analysis. In the present work, we perform an experimental study concerning this relationship. Atomic force microscope (AFM) scanning of four different transition metal dichalcogenides is conducted under different experimental conditions. It is found that materials with smaller vertical interlayer force constant, which also means smaller elasticity modulus, have larger friction. We attribute this phenomenon to larger elastic deformation in softer materials, which results in a larger obstacle to the motion of AFM tips.

Generalized Scaling Law of Structural Superlubricity.

Structural superlubricity, which promises an ultralow sliding friction due to the cancellation of the lateral force between two incommensurate interfaces, is a fundamental phenomenon in modern tribology. Achieving macroscale superlubricity is critical to its practical application, and the key is understanding how friction scales with real contact area, that is, the scaling law, especially for kinetic friction which accounts for most of the energy dissipation during sliding. Here, inspired by extensive molecular dynamics simulations we introduce an analytical general theory for the scaling law of structural superlubricity, which could well explain existing experimental measurements on the nanoscale. On the microscale, the scaling law is validated by measuring the friction of several microscale superlubric graphite/hexagonal boron nitride heterojunctions. The proposed theory predicts a characteristic size D = O(100 nm) above which the scaling transits from sublinear to linear. Our results provide insights in the origin of friction for structural superlubricity and benefit its application on macroscale.

Robust microscale superlubricity in graphite/hexagonal boron nitride layered heterojunctions.

Structural superlubricity is a fascinating tribological phenomenon, in which the lateral interactions between two incommensurate contacting surfaces are effectively cancelled resulting in ultralow sliding friction. Here we report the experimental realization of robust superlubricity in microscale monocrystalline heterojunctions, which constitutes an important step towards the macroscopic scale-up of superlubricity. The results for interfaces between graphite and hexagonal boron nitride clearly demonstrate that structural superlubricity persists even when the aligned contact sustains external loads under ambient conditions. The observed frictional anisotropy in the heterojunctions is found to be orders of magnitude smaller than that measured for their homogeneous counterparts. Atomistic simulations reveal that the underlying frictional mechanisms in the two cases originate from completely different dynamical regimes. Our results are expected to be of a general nature and should be applicable to other van der Waals heterostructures.

Computational Study of the Reaction of Dimethyl Ether with Nitric Oxide. Mechanism and Kinetic Modeling.

To probe into the autoignition effect of nitric oxide (NO) on the combustion of dimethyl ether (DME), a detailed mechanism study and kinetic modeling for the reaction of DME with NO, which was considered to be very sensitive to the ignition delay time of DME, have been conducted using computational chemical methods. The CCSD(T)/6-311+G(2df,2p)//B2PLYP/TZVP compound method was employed to obtain the potential energy surface along the reaction coordinate, with the geometries, gradients, and force constants of nonstationary points calculated at the B2PLYP/TZVP theoretical level. The temperature-dependent rate coefficients from 200 to 3000 K were calculated using multistructural canonical variational transition-state theory (MS-CVT) with torsional motions and multidimensional tunneling effects included. The CCSD(T) calculations with both 6-311+G(2df,2pd) and cc-pVTZ basis sets give a zero-point inclusive barrier of 197-201 kJ mol-1 using the BMK/MG3S, B2PLYP/TZVP, and mPW2PLYP/TZVP based geometries. A van der Waals postreaction complex appears on the products HNO + CH3OCH2 side of the transition state. Two highly coupled torsions lead to four conformers for the transition state, and contributions from multiple structures and torsional anharmonicities substantially affect the rate coefficient evaluations. Variational effects can be argued to play an important role, especially at high temperatures, and tunneling probabilities increase with decreasing temperature. Because of large temperature-dependent feature of activation energy, the four-parameter formula 1.912 × 1011( T/300)3.191 exp[-178.417( T - 2.997)/( T2 + 2.9972)] cm3 mol-1 s-1 is recommended for the MS-CVT calculated rate coefficients including small-curvature tunneling. The kinetic model is shown to give a satisfactory interpretation of the inhibited and accelerated effect of NO on the oxidation of DME.

Development of real-time and lateral flow strip reverse transcription recombinase polymerase Amplification assays for rapid detection of peste des petits ruminants virus.

BACKGROUND: Peste des petits ruminants (PPR) is an economically important, Office International des Epizooties (OIE) notifiable, transboundary viral disease of small ruminants such as sheep and goat. PPR virus (PPRV), a negative-sense single-stranded RNA virus, is the causal agent of PPR. Therefore, sensitive, specific and rapid diagnostic assay for the detection of PPRV are necessary to accurately and promptly diagnose suspected case of PPR. METHODS: In this study, reverse transcription recombinase polymerase amplification assays using real-time fluorescent detection (real-time RT-RPA assay) and lateral flow strip detection (LFS RT-RPA assay) were developed targeting the N gene of PPRV. RESULTS: The sensitivity of the developed real-time RT-RPA assay was as low as 100 copies per reaction within 7 min at 40 °C with 95% reliability; while the sensitivity of the developed LFS RT-RPA assay was as low as 150 copies per reaction at 39 °C in less than 25 min. In both assays, there were no cross-reactions with sheep and goat pox viruses, foot-and-mouth disease virus and Orf virus. CONCLUSIONS: These features make RPA assay promising candidates either in field use or as a point of care diagnostic technique.

Variational Effect and Anharmonic Torsion on Kinetic Modeling for Initiation Reaction of Dimethyl Ether Combustion.

The reaction of dimethyl ether (DME) with molecular oxygen has been considered to be the dominant initiation pathway for DME combustion compared to the C-O bond fission. This work presents a detailed mechanism and kinetics investigation for the O2 + DME reaction with theoretical approaches. Using the CCSD(T)/6-311+G(2df,2pd) potential energy surface with the M06-2X/MG3S gradient, Hessian, and geometries, rate constants are evaluated by multistructural canonical variational transition-state theory (MS-CVT) including contributions from hindered rotation and multidimensional tunneling over the temperature range 200-2800 K. The CCSD(T) and QCISD(T) with 6-311+G(2df,2pd) calculations predict a barrier of 190-194 kJ mol-1 for the O2 + DME reaction based on the optimized structures at various levels. It is proposed that there exists a weakly interacting adducts on the product side with subsequent dissociation to the separate HO2 and CH3OCH2 radicals. Torsions in transition state are found to be significantly coupled to generate four conformations whose contributions do influence the rate constant predictions. Variational effects are observed to be significant at high temperatures, while tunneling effect quickly becomes insignificant with temperature. Finally, four-parameter Arrhenius expression 9.14 × 1013(T/300)-3.15 exp[-184.52(T + 110.23)/(T2 + 110.232)] cm3 mol-1 s-1 describes the temperature dependence of MS-CVT rate constants with small-curvature tunneling correction.

Exploring the mechanism of Jingshen Xiaoke decoction in treating T2DM mice based on network pharmacology and molecular docking.

BACKGROUND: Jingshen Xiaoke decoction (JS) was prepared by studying the classic prescriptions of famous scholars in the past dynasties to prevent and treat diabetes. The related mechanism of JS against hyperlipidemia has yet to be revealed. OBJECTIVE: To investigate the mechanism of action of JS in treating diabetes mellitus by using bioinformatics methods. METHODS: A database was used to search the active ingredients and targets of the JS and targets for type 2 diabetes mellitus (T2DM). The protein interaction between the intersection targets, and the constructed the PPI network diagram was analyzed using the STRING database. Furthermore, the gene annotation tool DAVID was used to enrich the intersecting targets for the Gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) signaling pathway. Finally, Maestro software was used for molecular docking to verify the binding ability of the active ingredients to the core target genes. RESULTS: A total of 45 active ingredients in JS were screened out corresponding to 239 effective targets, of which 64 targets were potential targets for treating T2DM. The analysis of PPI network diagram analysis revealed that the ingredients' active components are quercetin, ß-sitosterol, stigmasterol, luteolin, and 7-Methoxy-2-methyl isoflavone. GO functional enrichment analysis indicated 186 biological processes (BP), 23 molecular functions (MF) and 13 cellular components (CC). KEGG pathway enrichment analysis revealed the enrichment of 59 signal pathways. The molecular docking results demonstrated that the active ingredients and core targets had a good docking affinity with a binding activity less than -7 kcal/mol. Finally, the western blotting illustrated that JS could up-regulate the liver PI3K/AKT-signaling pathway. CONCLUSION: JS can regulate glucolipid metabolism, reduce the inflammatory response, improve insulin resistance and modulate the immune response through PI3K/AKT signaling pathway treating of T2DM and its complications effects.

The Evolution of Anterior Transpetrosal Approach for the Treatment of Petroclival Meningiomas: A Single-Center 128-Case Experience.

BACKGROUND: The profound understanding of anterior transpetrosal approach (ATPA) is increasingly used to treat petroclival meningiomas (PCMs). We introduce the evolution of ATPA and the outcomes of PCMs treatment. METHODS: Between January 2013 and December 2019, 128 patients with PCMs underwent surgery. According to tumor extension, we classified the 128 patients into 5 types (I-V), introduced key technologies of ATPA into different types for the first time, and achieved a supreme surgical technology. Clinical data, radiological findings, surgical treatments, complications, and patient outcomes were retrospectively analyzed. RESULTS: A total of 22 (17.2%), 44 (34.4%), 25 (19.5%), 29 (22.7%), and 8 (6.3%) patients had type I, II, III, IV, and V disease, respectively. Tumors were gross totally removed (Simpson I and II) in 100 patients (78.1%), subtotally removed (Simpson III) in 20 patients (15.6%), and partially removed (Simpson IV) in 8 patients (6.3%). The progression or recurrence rates were 5% (5/100) for gross totally removed, 22.3% (6/20) for subtotally removed, and 62.5% (5/8; 1 died) for partially removed. According to the Karnofsky Performance Scale and Glasgow Outcome Scale, 108 patients had good recovery (84.4%, 108/128) and 115 were independent (89.8%, 115/128) at the end of follow-up. CONCLUSIONS: Because some key technologies were used in ATPA, the application of ATPA was extended, and greater tumor resection and nerve function protection could be achieved in the treatment of PCMs.