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Photofunctional materials based on donor-acceptor molecules have drawn intense attention due to their unique optical properties. Importantly, Systematic investigation of substitution effects on excited-state charge transfer dynamics of donor-acceptor molecules is a powerful approach for identifying application-relevant design principles. Here, by coupling phenothiazine (PTZ) at the ortho-, meta-, and para-positions of the benzene ring of benzophenone (BP), three regioisomeric BP-PTZ dyads were designed to understand the relationship between substituted positions and excited-state evolution channels. Ultrafast transient absorption is used to detect and trace the transient species and related evolution channels of BP-PTZ dyads at excited state. In a non-polar solvent, BP-o-PTZ undergoes the through-space charge transfer process to produce a singlet charge-transfer (1CT) state, which subsequently proceeds the intersystem crossing process and transforms into a triplet charge-transfer (3CT) state; BP-m-PTZ experiences intramolecular charge transfer (ICT) process to generate the 1CT state, which subsequently transforms into the 3CT state by the intersystem crossing (ISC) and finally converts into the local-excited triplet (3LE) state; as for BP-p-PTZ, only 3LE states can be detected after the ISC process from the 1CT state. On the other hand, the twisted ICT states are generated via twisted motion between the donor and acceptor for all BP-PTZ dyads or planarization of the PTZ unit in high polar solvents. The excited-state theoretical calculations unveil that the features of ICT and intramolecular interaction between the three dyads play a decisive role in determining the through-bond charge transfer and through-space charge transfer processes. Also, these results demonstrate that the excited-state evolution channels of PTZ derivatives could be modified by tuning the substituted positions of the donor-acceptor dyads. This study provides a deep perspective for the substitute-position effect on donor-acceptor-type PTZ derivatives. [ABSTRACT FROM AUTHOR]

Wearable sensors are important components, converting mechanical vibration energy into electrical signals or other forms of output, which are widely used in healthcare, disaster warning, and transportation. However, the reliance on batteries limits the portability of wearable sensors and hinders their application in the field of Internet of Things. To solve this problem, we designed a miniaturized high-performance hybrid nanogenerator (MHP-HNG), which combined the functions of triboelectric sensing and electromagnetic power generation as well as the advantages of miniaturization. By optimizing the design of TENG and EMG, the wearable sensor achieved a voltage output of 14.14 V and a power output of 49 mW. Based on the wireless optical communication and wireless communication technologies, the wearable sensor achieved the integration of sensing, communication, and self-powered function, which is expected to realize health monitoring, emergency warning, and rehabilitation assistance, and further extend the potential application value in the medical field. [ABSTRACT FROM AUTHOR]

To prolong the service life and structural stability of CoCrNiAlY–yttria stabilized zirconia–LaMgAl11O19 (LaMA) dual ceramic coating during high temperature exposure, an AlY plating layer was deposited on top LaMA. Results revealed that this coating without AlY plating layer showed a rapid mass increase from 6.62 mg/cm2 at 20 h to 10.63 mg/cm2 at 80 h, but also suffered from a fast TGO growth and severe elemental diffusion, resulting in an exacerbating interface fracture of the coating. However, AlY plating layer was first oxidized, and Y2O3 induced the formation of a dense α‐Al2O3 reaction layer on the top LaMA layer, which greatly prevented the internal penetration of O2. This coating with AlY plating layer showed a relatively stable structure, a very slow TGO growth, and a slight mass increase trend from 8.19 mg/cm2 at 20 h to 8.73 mg/cm2 at 80 h. Potential oxidation damage mechanisms of the coatings with or without AlY plating layer were comprehensively clarified. [ABSTRACT FROM AUTHOR]

When the dual rotor system of the aircraft engine is operating, the mass eccentricity of the power turbine rotor and the misalignment of the shaft coupling or the bearing will cause too large vibration of the rotor; this vibration leads to the rub-impact between the rotor and the casing. The power turbine rotor from the dual rotor system is taken as the research object in this paper. Considering the misalignment, the resulting rub-impact faults, the imbalance of rotor and the disk offset, the equation of motion for the system is developed according to the Lagrangian Equation, and then the Range-Kutta Method is adopted to solve the equation. The influence of the key parameters such as the rotating speed, the misalignment angle and the rub-impact clearance on the dynamics of the system is studied; the finite element analysis was carried out to validate the correctness of the theoretical modeling method. The results show that the rub-impact increases the stiffness of the system; the Hopf bifurcation occurs in the misalignment and rub-impact coupling system; the vibrational stability near the half of the switching speed slumps with the increase of the misalignment angle; with increasing of the stiffness, the number of the chaotic zone increases, and the range of the chaos is widening; enlarging the rub-impact clearance is beneficial to reduce the degree of the rub-impact system and enhance the stability of the system. [ABSTRACT FROM AUTHOR]

The nanofiltration (NF) membrane technology has attracted considerable attention for the rejection removal of various salts. However, the practical application of this membrane separation process has been severely retarded due to the ineffective rejection of monovalent ions (such as nitrate and chloride), undesirable filtration flux, and insufficient disposal of the concentrated solution. In this work, three polyethersulfone‐type NF membranes were fabricated and their morphologies, functional groups, chemical components, wettabilities, chargeabilities, and rejection molecular weights were characterized. Among them, the membrane of NF_M3 bearing sulfonic acid group (SO3H) shows the desirable rejection efficiency of nitrate (90.32%), acceptable solution filtration flux (10.15 L m−2 h−1 at 0.6 MPa), and the decent pure water permeation flux (50.8 L m−2 h−1 at 0.6 MPa). The introduction of SO3H can significantly enhance the performances of NF_M3 membrane in hydrophilicity, chargeability, anti‐fouling, and the oxidation resistance. Promisingly, the concentrated nitrate was ingeniously recycled for the electrochemical intercalation of flake graphite to prepare expandable graphite, and the obtained expanded graphite has an acceptable expanded volume (243 mL g−1 via the microwave expansion process), thereby achieving the resource utilization of NF concentrated solution. [ABSTRACT FROM AUTHOR]

Multi-scale phenomena are prevalent and significant across various disciplines. For multi-scale flow physics in the gas-kinetic theory based on Boltzmann equation or its simplified mathematical models (called Boltzmann model equations), the multi-scale mechanism can be modeled by the philosophy of unified modeling, where the free transport behaviors of gas particles and their collision behaviors are coupled by the temporal integral solutions (or characteristic line solutions) of Boltzmann model equations, which leads to a unified/multi-scale property in all scales. Also, the stochastic particle methods are based on these Boltzmann model equations. The corresponding numerical methods are, thus, limited by these model equations. This paper aims to overcome this restriction by replacing these modeled collision operators with a simple direct relaxation (DR) process. Since the collision term of Boltzmann model equation should fulfill the correct relaxation rates of non-equilibrium macro-variables, such as stress tensor and heat flux vector, along with other basic properties, such as conservation and H theorem, the DR process is designed to be directly based on these crucial relaxation rates. Therefore, with the DR strategy for calculating particle collisions, the numerical method can be established without constructing collision operator. Furthermore, the DR has the flexibility and simplicity to recover various models. In this work, Xu's and Yuan's new models are recovered in to illustrate the validation and performance of DR. Moreover, since at the inlet/outlet boundaries, subsonic, supersonic, and hypersonic flows can simultaneously exist, a generalized numerical boundary condition is also considered in the particle methods developed in this paper. Finally, the validation and accuracy of the present method are examined with a series of test cases. [ABSTRACT FROM AUTHOR]

The densification behaviors of MgO‐doped‐Al2O3 ceramics in the flashing stage and the steady stage were investigated using the classic kinetic model. The results show that the most densification of MgO‐doped Al2O3 was completed during the flashing stage. The densification mechanism transferred from particle rearrangement resulted from Columbic force among particles under the effect of electrical field in the flashing stage to the lattice diffusion in the steady stage. Therefore, the densification rate in the steady stage dramatically decreased. Additionally, the estimated densification activation energy in the steady stage of flash sintering is 396 kJ/mol, much lower than the activation densification of lattice diffusion measured from conventional sintering, likely due to the effect of electric field/current‐induced point defects on the diffusion. [ABSTRACT FROM AUTHOR]

Background Heterozygous loss-of-function mutations in the tumour necrosis factor alpha induced protein 3 (TNFAIP3) gene cause an early-onset auto-inflammatory disease named haploinsufficiency of A20 (HA20). Here we describe three unrelated patients with autoimmune lupus nephritis (LN) phenotypes carrying three novel mutations in the TNFAIP3 gene. Methods Whole-exome sequencing (WES) was used to identify the causative mutations in three biopsy-proven LN patients. Sanger sequencing and quantitative polymerase chain reaction (qPCR) were used to validate the mutations identified by WES. RNA sequencing, qPCR and cytometric bead array was used to detect inflammatory signatures in the patients. Results The patients predominantly presented with an autoimmune phenotype, including autoimmune haemolytic anaemia, multipositive autoantibodies and LN. Additionally, novel phenotypes of allergy and pericardial effusion were first reported. WES identified three novel heterozygous mutations in the TNFAIP3 gene, including a novel splicing mutation located in the canonical splicing site (c.634+2T>C) resulting in an intron 4 insertion containing a premature stop codon, a de novo novel copy number variation (exon 7–8 deletion) and a novel nonsense mutation c.1300_1301delinsTA causing a premature stop codon. We further identified hyperactivation signatures of nuclear factor- kappa B and type I IFN signalling and overproduction of pro-inflammatory cytokines in the blood. This report expanded the phenotype to a later age, as two girls were diagnosed at age 3 years and one man at age 29 years. Conclusions Kidney involvement may be the main feature of the clinical spectrum of HA20, even in adults. Genetic screening should be considered for early-onset LN patients. [ABSTRACT FROM AUTHOR]

The nearly fully dense ultra‐high pure (>99.99%) α‐Al2O3 ceramics were prepared by flash sintering at the furnace temperature of 1300°C. Compared with the samples sintered at 1300 and 1650°C without electrical field, the flash‐sintered samples exhibited remarkably improved density and finer grains. The flash‐sintered samples also exhibited high hardness, which is even higher than that of the hot‐pressed sample. Therefore, it is believed that flash sintering could be an effective technique for the preparation of ultra‐high pure alumina ceramics. [ABSTRACT FROM AUTHOR]

Donor and acceptor (D–A) compounds based on benzophenone (BP) and carbazole (Cz) were recently reported to exhibit an extraordinary long afterglow phosphorescence in the solid state. However, the BP derivatives' mechanism of long afterglow phosphorescence is obscure. BP-o-Cz, BP-m-Cz, and BP-p-Cz were designed by coupling Cz at the ortho-, meta- and para-positions of the BP's benzene ring to uncover the excited-state evolution of BP-Cz molecules. Femtosecond and nanosecond transient absorption and excited-state theoretical calculations were carried out to detect and trace the photophysical process of BP-Cz dyads. After the excitation, all dyads experience intramolecular charge transfer (ICT) and intersystem crossing (ISC) processes. The resulting charge-transfer (1CT and 3CT) state of BP-o-Cz will decay to the ground state directly and quickly via the fast charge recombination (CR) process, which may be caused by through-space D–A interaction due to the enforced proximity between BP and Cz. In contrast, for BP-m-Cz and BP-p-Cz dyads, the complete separation of HOMOs and LUMOs leads to extended ICT and slow CR processes, producing an obvious Cz cation radical intermediate and an ultralong-lived triplet state species after the 3CT. Herein, we demonstrated that the excited-state evolution channels could be modified by tuning the substituted positions of D–A dyads. This may pave the way for designing efficient D–A type luminescent materials. [ABSTRACT FROM AUTHOR]

The integration of aggregation-induced emission (AIE) and two-photon absorption (2PA) into one molecule is very important because such a combination would endow the material with a synergetic effect for diverse and broader applications. Herein, two regioisomers based on perylene diimide and anthracene moieties are designed and synthesized. The as-prepared compounds exhibit distinct AIE and 2PA properties, where the bay-substituted one exhibits common AIE and 2PA properties, while the ortho-substituted one exhibits not only enhanced and accelerated AIE performance, but also improved 2PA properties. This research would provide a general approach to explore efficient molecules by the marriage of accelerated AIE and enhanced 2PA that could improve their performance in various areas. [ABSTRACT FROM AUTHOR]

Aiming at the difficulty of temperature control in the laser cladding process of high-temperature nickel-based alloys, the influence of cladding parameters on the temperature of the molten pool, and the quality of the cladding layer were explored. Firstly, through the analysis of the finite element method, the Inconel718 single-pass cladding model was established on the surface of 45 steel by using parametric language and life–death element technology, the influence of different laser power and scanning speed on the temperature of the molten pool center was explored, and reasonable process parameters scope were selected. Secondly, taking the cladding parameters as independent variables, and taking the dilution rate and forming coefficient of the cladding layer as the response variables, using BBD (Box–Behnken Design) to design experiments the response surface analysis method was used to establish the regression prediction model of the cladding process parameters and response indicators, and the genetic algorithm was used to carry out multi-objective optimization to obtain the best results. The optimal parameter combination is a laser power of 1756 W, a scanning speed of 19.43 mm/s, and a powder feeding rate of 19.878 g/min. Finally, a multi-pass lap joint experiment was carried out with the optimal parameters, and it was found that the cladding layer has a dense and fine structure and a good metallurgical bond with the matrix, which can effectively guide the actual production. [ABSTRACT FROM AUTHOR]

Oral microbial dysbiosis is the major causative factor for common oral infectious diseases including dental caries and periodontal diseases. Interventions that can lessen the microbial virulence and reconstitute microbial ecology have drawn increasing attention in the development of novel therapeutics for oral diseases. Antimicrobial small molecules are a series of natural or synthetic bioactive compounds that have shown inhibitory effect on oral microbiota associated with oral infectious diseases. Novel small molecules, which can either selectively inhibit keystone microbes that drive dysbiosis of oral microbiota or inhibit the key virulence of the microbial community without necessarily killing the microbes, are promising for the ecological management of oral diseases. Here we discussed the research progress in the development of antimicrobial small molecules and delivery systems, with a particular focus on their antimicrobial activity against typical species associated with oral infectious diseases and the underlying mechanisms. [ABSTRACT FROM AUTHOR]

The phenotypic traits of Streptococcus mutans , such as fluoride tolerance, are usually associated with genotypic alterations. The aim of this study was to identify adaptive mutations of S. mutans to gradient fluoride concentrations and possible relationships between the mutations and fluoride tolerance. We identified a highly resistant S. mutans strain (FR1000) with a novel single nucleotide polymorphism (SNP, −36G→T) in the promoter region of F0F1-ATPase gene cluster (SMU_1527-SMU_1534) resistant to 1,000 ppm fluoride using the whole-genome Illumina PE250 sequencing. Thus, a −36G→T F0F1-ATPase promoter mutation from the parental strain S. mutans UA159 was constructed and named UA159-T. qRT-PCR showed that the F0F1-ATPase gene expression of both FR1000 and UA159-T was up-regulated, and fluoride tolerance of UA159-T was significantly improved. Complementation of Dicyclohexylcarbodiimide (DCCD), a specific inhibitor of F0F1-ATPase, increased fluoride susceptibility of FR1000 and UA159-T. Intracellular fluoride concentrations of fluoride tolerance strains were higher compared to UA159 strain as demonstrated by 18F analysis. Further validation with rat caries models showed that UA159-T caused more severe caries lesions under fluoride exposure compared with its parental UA159 strain. Overall, the identified −36G→T mutation in the promoter region of F0F1-ATPase gene drastically contributed to the fluoride tolerance and enhanced cariogenicity of S. mutans. These findings provided new insights into the mechanism of microbial fluoride tolerance, and suggested F0F1-ATPase as a potential target for suppressing fluoride resistant strains. [ABSTRACT FROM AUTHOR]

Two positional isomers (regioisomers) through changing the substituted position of perylenetetracarboxylic diimide and benzanthrone moieties were designed and synthesized. These two regioisomers exhibit totally different aggregation behaviors. The meta (bay)-substituted product shows the aggregation-caused quenching feature as the fluorescence quantum yield in tetrahydrofuran–water mixtures is reduced by 80% with an increase in the water fraction of the medium from 0% to 60%. Interestingly, an aggregation-induced emission is observed for the ortho-substituted product as the fluorescence quantum yield is increased by nearly one order of magnitude with an increase in the water fraction. This fluorescence enhancement effect for the ortho-substituted product is because of the restriction of the intramolecular rotation between the perylene core and the benzanthrone substituent in the aggregated state. The ortho-substituted product also exhibits excellent two-photon absorption performance because the ortho-substitution retains the planarity of the perylene core and improves the intramolecular charge-transfer among the molecules. Moreover, the ortho-substituted product shows two-photon excited aggregation-induced emission, which has potential application in organic two-photon excited fluorescence imaging agents. [ABSTRACT FROM AUTHOR]

In this letter, we propose a novel weighted sparse graph regularization (SGR) (WSGR) model by incorporating the spatial information both in pre and postprocessing stages. In the preprocessing stage, we generate adaptive patch features to represent the spatial information. Traditional patch feature extraction methods rarely consider the quality of the neighboring pixels within a patch since the central pixel and its neighbors may belong to different classes. To solve this issue, a Gaussian-kernel-based weighting scheme that can adaptively model the neighborhood information is introduced into the original SGR model. Experimental results, conducted with two popular hyperspectral data sets, indicate that the proposed method outperforms other related methods with an overall accuracy higher than 90% when only 20 labeled samples per class are used for training. [ABSTRACT FROM AUTHOR]

The multi-scale flow mechanism is crucial for the force and heat loaded on near-space vehicles, the control of spacecraft, and the propelling and cooling of microelectromechanical systems. Since the continuum and rarefied flows often coexist, the prediction of multi-scale flow is complicated. One efficient way is constructing numerical methods by adopting the multi-scale temporal integral solutions (or characteristic line solutions) for model equations in the gas-kinetic theory. The model equations can be classified into the Fokker–Planck type and Bhatnagar–Gross–Krook type (BGK-type). Since these numerical methods are strictly based on model equations, they are also restricted by the model equations. The difficulty in constructing a model equation that has complete asymptotic preserving property for gas mixture with non-equilibrium internal energy will prevent the further extension of these methods. Therefore, this paper addresses the question whether a multi-scale numerical method can be established by directly adopting the relaxation rates of macroscopic variables, such as stress and heat flux, because these relaxation rates are the aggregate effect of particle collisions and are the essential constrains when constructing model equations. Since the particle-BGK method is concise, its collision term is replaced by the direct relaxation process, where the macroscopic variables first evolve according to their relaxation rates, and then, the after-collision molecules get their velocities from the after-evolution macroscopic variables. Therefore, the modified particle-BGK method does not depend on model equations. Finally, the validity and accuracy of the present method are examined with homogenous relaxation case, shock tube, shock structure, cavity flow, and hypersonic cylinder flow in transitional regime. [ABSTRACT FROM AUTHOR]

Objective Type 1 regulatory T (Tr1) cells are involved in the pathogenesis of numerous immune-mediated diseases. However, little is known about whether and how Tr1 cells affect the development of IgA vasculitis (IgAV). We aimed to investigate this question in IgAV patients. Methods. Tr1 cells in peripheral blood and kidney tissue of IgAV patients were analysed by multi-parametric flow cytometry and immunofluorescence techniques. An in vitro assay of suppression of T cell proliferation and cytokine release was performed to evaluate the function of Tr1 cells. Real-time PCR and cell stimulation in vitro were used to explore the roles of IL-27 and early growth response gene 2 (EGR2). Results The frequency of Tr1 cells was decreased in peripheral blood but increased in kidney tissue from IgAV patients. A defective suppressive function of Tr1 cells in IgAV was observed. The frequency of Tr1 cells and the cytokines secreted by them were up-regulated in the presence of recombinant IL-27 in vitro. Moreover, IL-27 also increased the expression of EGR2. Furthermore, lower frequency of Tr1 cells during remission had a higher recurrence rate. Conclusion Tr1 cells are involved in the pathogenesis of IgAV. The low IL-27 in IgAV is responsible for impaired frequency and function of Tr1 cells, and EGR2 may be the specific transcription factor involved in the progression. Tr1 may be a risk factor for IgAV recurrence. [ABSTRACT FROM AUTHOR]