Deciphering TADF Mechanisms in Metal-Free Organic Emitters BrA-HBI:Utilizing Optimally Tuned Range-Separated Functionals for Insight

Metal-free organic emitters,characterized by their thermally activated delayed fluorescence(TADF)properties,offer considerable promise for the creation of highly efficient organic light-emitting diodes(OLEDs).Recently,Shao et al.presented a novel excited state intramolecular proton transfer(ESIPT)system BrA-HBI,demonstrating an emission quantum yield of up to 50%[Adv.Funct.Mater.32,2201256(2022)].However,many open issues cannot be answered solely by experimental means only and require detailed theoretical investigations.For instance,what causes the activation of TADF from the Keto^(*) tautomer and leads to fluorescence quenching in the Enol^(*)form?Herein,we provide a theoretical investigation on the TADF mechanism of the BrA-HBI molecule by optimally tuned range-separated functionals.Our findings reveal that ESIPT occurs in the BrA-HBI molecule.Moreover,we have disclosed the reason for the fluorescence quenching of the Enol^(*)form and determined that the T_(2)state plays a dominant role in the TADF phenomenon.In addition,double hybrid density functionals method was utilized to verify the reliability of optimally tuned range separation functionals on the calculation of the TADF mechanism in BrA-HBI.These findings not only provide a theoretical reference for development of highly efficient organic light-emitting diodes,but also demonstrate the effectiveness of the optimally tuned range-separated functionals in predicting the luminescence properties of TADF molecules.

Optimization of Finned-Tube Heat Exchanger in a Gravity-Assisted Separated Heat Pipe

Finned-tube heat exchanger(FTHE)is often used as an evaporator in commercial products of separated heat pipe(SHP).The working conditions of FTHE in gravity-assisted SHP are significantly different from those working in refrigerators and air conditioners.Although FTHE is widely used in commercial products of SHP,previous research on its characteristics is very limited.In this paper,a mathematical model for a SHP with FTHE as the evaporator and plate heat exchanger as the condenser is established and verified with experiments.Parametric analyses are carried out to investigate the influences of evaporator design parameters:air inlet velocity,number of tube rows,tube diameter,and fin pitch.With the increasing of air velocity,number of tube rows and tube diameter,and the decreasing of fin pitch,the heat transfer rate increases,while the energy efficiency ratio(EER)decreases monotonically.Using the total cost of the ten-year life cycle as the performance index,the structure parameters of the evaporator with a given heat transfer rate are optimized by the method of orthogonal experimental design.It is found that the total cost can differ as large as nearly ten times between groups.Among the three factors investigated,the number of tube rows has a significant impact on the total cost of the evaporator.With more tube rows,the total cost will be less.The impacts of fin pitch and tube diameter are insignificant.These results are of practical importance for the engineering design of FTHE in gravity-assisted SHP.

Pharmacodynamic Experiment of Dachengqi Decoction and Separated Decoction on Incomplete Intestinal Obstruction in Rats

[Objectives]To investigate the effect and mechanism of Dachengqi Decoction and separated decoction on incomplete intestinal obstruction in rats.[Methods]80 healthy SD rats were selected to establish incomplete intestinal obstruction model by silk ligation.The dosage was 20 mL/kg for 3 d,and the damage index of ileocecal mucosa was analyzed;the morphology of ileocecal mucosa was observed by HE staining;the serum levels of IL-1α,IL-1β,IL-6,IL-18,Ach,NO,ET,IL-1,TNF-αand ultra-micro Na+-K+-ATPase were detected by ELISA.[Results]Compared with the model group,the mucosal damage index of Dachengqi Decoction and each separated decoction group decreased significantly(P<0.05);compared with the normal group and sham operation group,the serum level of IL-1,IL-6,TNF-αand other factors in the model group increased significantly(P<0.05);compared with the model group,the serum IL-1,IL-6 and TNF-αsecretion levels of rats in Dachengqi Decoction group and separated decoction group decreased(P<0.01).[Conclusions]Dachengqi Decoction and each separated decoction can effectively improve intestinal tissue pathological damage in the incomplete intestinal obstruction model rats,and reduce the inflammatory reaction in the rat body.

Deep eutectic solvents for separation and purification applications in critical metal metallurgy:Recent advances and perspectives

Solvent extraction,a separation and purification technology,is crucial in critical metal metallurgy.Organic solvents commonly used in solvent extraction exhibit disadvantages,such as high volatility,high toxicity,and flammability,causing a spectrum of hazards to human health and environmental safety.Neoteric solvents have been recognized as potential alternatives to these harmful organic solvents.In the past two decades,several neoteric solvents have been proposed,including ionic liquids(ILs)and deep eutectic solvents(DESs).DESs have gradually become the focus of green solvents owing to several advantages,namely,low toxicity,degradability,and low cost.In this critical review,their classification,formation mechanisms,preparation methods,characterization technologies,and special physicochemical properties based on the most recent advancements in research have been systematically described.Subsequently,the major separation and purification applications of DESs in critical metal metallurgy were comprehensively summarized.Finally,future opportunities and challenges of DESs were explored in the current research area.In conclusion,this review provides valuable insights for improving our overall understanding of DESs,and it holds important potential for expanding separation and purification applications in critical metal metallurgy.

Structure identification for compound I separated and purified from taxoids-produced endophytic fungi (Alternaria. alternata var. taxi 1011)

Endophytic fungi are widely found in almost all kinds of plants. Many endophytic fungi can produce some physio-logical active compounds, which are same to or analog to those isolated from their hosts. Producing physiological active com-pounds through microbial fermentation can give a new way to resolve resource limitation and to find out alternative source. Through the methods of organic solvent extraction, thin layer chromatography (TLC) and column chromatography, compound I was isolated, purified from the liquid fermentation metabolites of the taxoids-produced endophytic fungi (Alternaria. alternata var. taxi 1011 Y. Xiang et LU An-guo) that was screened from the bark of Taxus. cuspidata Sieb.et Zucc.. Compound I was identified as one kind of taxoids type III, based on the analyzing results by using the methods of ultraviolet spectroscopy (UV), infrared spectroscopy (IR), mass spectrometry (MS) and nuclear magnetic resonance spectroscopy (NMR). This study provides a com-pleted method for separation and purification of the endophytic fungi as well as structure identification of its fermentation me-tabolite

SEPARATED FRAMES

In this paper we shall offer a separation axiom for frames inspired by the Hausdorff separation axiom for topological spaces. We call it separated condition. This is a condition on topology OX equivalent to the T O space X being Hausdorff. The class of separated frames includes that of strong Hausdorff frames and that of S frames. We shall show that the class of separated frames is a class closed under the formation of coproducts and subspaces, and the space Fil( L ) is Hausdorff for any separated frame L . Therefore there is a contravariant adjunction between the category TOP 2 of Hausdorff topological spaces and the category FRAM 2 of separated frames.

强磁场条件下的spatial separated D^-心

采用 Mac Donld的对角化法研究了强磁场条件下 D-s 心的束缚态和多电子效应 .发现D-s 心有 L=0 ,-1 ,-2 ,-3 ,-4五个束缚态 ,且随着电子与 D0 心之间距离ξ值的增大 ,其束缚能存在一极大值 .并利用无规相近似讨论了长波极限 D-s 心的多电子效应 ,发现 D-s 心的本征能量随朗道能级填充因子作周期性振荡 ,且随着温度的降低振荡加剧 ;当填充因子为偶数时 ,其本征能量的绝对值最大 ,说明此时电子气对库仑势的屏蔽效应最弱 .

Comparative assessment of SAS and DES turbulence modeling for massively separated flows

Numerical studies of the flow past a circular cylinder at Reynolds number 1.4 × 105 and NACA0021 airfoil at the angle of attack 60° have been carried out by scale-adaptive simulation （SAS） and detached eddy simu- lation （DES）, in comparison with the existing experimental data. The new version of the model developed by Egorov and Menter is assessed, and advantages and disadvantages of the SAS simulation are analyzed in detail to provide guidance for industrial application in the future. Moreover, the mechanism of the scale-adaptive characteristics in separated regions is discussed, which is obscure in previous analyses. It is con- cluded that： the mean flow properties satisfactorily agree with the experimental results for the SAS simulation, although the prediction of the second order turbulent statistics in the near wake region is just reasonable. The SAS model can produce a larger magnitude of the turbulent kinetic energy in the recir- culation bubble, and, consequently, a smaller recirculation region and a more rapid recovery of the mean velocity out- side the recirculation region than the DES approach with the same grid resolution. The vortex shedding is slightly less irregular with the SAS model than with the DES approach, probably due to the higher dissipation of the SAS simulation under the condition of the coarse mesh.

Exchange Bias Effect in Phase Separated La0.33Pr0.34Ca0.33MnO3 Thin Films

Exchange bias effect is observed in the phase separated La0.33Pr0.34Ca0.33MnO3 thin films. High exchange bias field of about 1 kOe is achieved at 4 K. The exchange bias effect in La0.33Pr0.34Ca0.33MnO3 thin films might originate from the intrinsic phase separation of the La0.33Pr0.34Ca0.33MnO3 or surface effect. The dependence of exchange bias effect on temperature, cooling field, and thickness is also investigated. This work would open an avenue to the application in the magnetic memory devices based on the phase separated manganites.

Solving mKdV-sinh-Gordon equation by a modified variable separated ordinary differential equation method

By introducing a more general auxiliary ordinary differential equation （ODE）, a modified variable separated ODE method is developed for solving the mKdV-sinh-Gordon equation. As a result, many explicit and exact solutions including some new formal solutions are successfully picked up for the mKdV-sinh-Gordon equation by this approach.

A SEPARATED LAW OF HARDENING IN STRAIN GRADIENT PLASTICITY

This paper presents a separated law of hardening in plasticity with strain gradient effects. The value of the length parameter l contained in this model was estimated from the experimental data for copper.

Applications of URANS on predicting unsteady turbulent separated flows

Accurate prediction of unsteady separated turbulent flows remains one of the toughest tasks and a practi cal challenge for turbulence modeling. In this paper, a 2D flow past a circular cylinder at Reynolds number 3,900 is numerically investigated by using the technique of unsteady RANS （URANS）. Some typical linear and nonlinear eddy viscosity turbulence models （LEVM and NLEVM） and a quadratic explicit algebraic stress model （EASM） are evaluated. Numerical results have shown that a high-performance cubic NLEVM, such as CLS, are superior to the others in simulating turbulent separated flows with unsteady vortex shedding.

EFFECT OF DILUENTS ON CRYSTALLIZATION OF POLY(VINYLIDENE FLUORIDE) AND PHASE SEPARATED STRUCTURE IN A TERNARY SYSTEM via THERMALLY INDUCED PHASE SEPARATION

The phase diagram of a ternary system of PVDF,dibutyl phthalate (DBP) and di(2-ethylhexyl) phthalate (DEHP) was determined in terms of a pseudo binary system with the same polymer concentration and different DBP content in diluent mixture.The experimental results showed that as the DBP content increased in diluent mixture,the phase separation changed from liquid-liquid phase separation to solid-liquid phase separation,and both the cloudy point for L-L phase separation and crystallization temperature shifted...

Effects of Chinese Fructus Mume Formula and Its Separated Prescription Extract on Insulin Resistance in Type 2 Diabetic Rats

The effect of Fructus Mume formula and its separated prescription extract on insulin resis- tance in type 2 diabetic rats was investigated. The rat model of type 2 diabetes was established by feed- ing on a high-fat diet for 8 weeks and by subsequently intravenous injection of small doses of strepto- zotocin. Rats in treatment groups, including the Fructus Mume formula treatment group （FM）, the cold property herbs of Fructus Mume formula treatment group （CFM）, the warm property herbs of Fructus Mume formula treatment group （WFM）, were administrated with Fructus Mume formula and its sepa- rated prescription extract by gavage, while the rats in diabetic model group （DM） and metformin group （MET） were given by gavage with normal saline and metformin correspondingly. The body weight be- fore and after treatment was measured, and the oral glucose tolerance test （OGTT） and the insulin re- lease test （IRT） were performed. The homeostasis model assessment-insulin resistance index （HOMA-IR） was calculated. The protein and mRNA expression levels of Insr, β-arrestin-2, Its-1 and Glut-4 in the liver, skeletal muscle and fat tissues were detected by using Western blotting and RT-PCR respectively. The results demonstrated that, as compared with DM group, OGTT, IRT （0 h, 1 h） levels and HOMR-IR in treatment groups were all reduced, meanwhile their protein and mRNA expression levels of Insr, Irs-1 and Glut-4 in the liver, skeletal muscle and fat tissues were obviously increased, and their protein and mRNA expression levels of β-arrestin-2 in the liver and skeletal muscle tissues were also markedly increased. It was suggested that the Fructus Mume formula and its separated prescription extracts could effectively improve insulin resistance in type 2 diabetic rats, which might be related to the up-regulated expression of Insr, Irs-1 and Glut-4 in the liver, skeletal muscle and fat tissues, and β-arrestin-2 in the liver and skeletal muscle tissues.

SURFACE COMPOSITE GEAR AND PIPE MADE BY SEPARATED EUTECTIC TECHNOLOGY

It is found that the anomalous eutectics can be separated on macroscopic scale by flow caused by electromagnetic stirring, and the separated phase is the leading faceted phase with the solution entropy over 23 J/(mol&middotK). By using this technology, a new kind of composite pipe and gear with good abrasive properties were made without adding any reinforced particles. Emphases were paid on the researches about formation mechanism of separated eutectic and abrasive property of the composite pipe or gear. The result shows that the entropy of solution controlling the eutectic microstructure is also valid and useful as a criterion of separated eutectic, and the kind and its chemical scope of the off-eutectic used to make composite can be calculated according to this theory.

MICROPHASE SEPARATED STRUCTURES AND PROPERTIES OF PDMS-MDIPEG COPOLYMER SURFACE

A series of poly(dimethylsiloxane)(PDMS)-4,4′-diphenylmethanediisocyanate(MDI)-poly(ethylene glycol)(PEG) multiblock copolymers were synthesized by employing two-step growth polymerization and investigated by AFM,XPS. contact angle system,protein adsorption and platelets adhesion measurements,respectively.It was found that as the molecular weight of PDMS increased,the surface of copolymers had increasing phase separation,while the increase in the molecular weight of PEG decreased the phase separation extents of the copolymer surface.XPS and contact angle measurements showed that the greater the phase separation extent was,the lower both the surface enrichment of PDMS and the surface free energy of the copolymer film were.The protein adsorption experiments indicated that the best phase separation did not exhibit the best biocompatibility.

Scalability and Security in Identifier-to-Locator Mapping: Case Study for Locator/ID Separated Networks

The locator/ID separation paradigm has been widely discussed to resolve the serious scalability issue that today's Internet is facing. Many researches have been carried on with this issue to alleviate the routing burden of the Default Free Zone (DFZ), improve the traffic engineering capabilities and support efficient mobility and multi-homing. However, in the locator/ID split networks, a third party is needed to store the identifier-to-locator pairs. How to map identifiers onto locators in a scalable and secure way is a really critical challenge. In this paper, we propose SS-MAP, a scalable and secure locator/ID mapping scheme for future Internet. First, SS-MAP uses a near-optimal DHT to map identifiers onto locators, which is able to achieve the maximal performance of the system with reasonable maintenance overhead relatively. Second, SS-MAP uses a decentralized admission control system to protect the DHT-based identifier-to-locator mapping from Sybil attacks, where a malicious mapping server creates numerous fake identities (called Sybil identifiers) to control a large fraction of the mapping system. This is the first work to discuss the Sybil attack problem in identifier-to-locator mapping mechanisms with the best knowledge of the authors. We evaluate the performance of the proposed approach in terms of scalability and security. The analysis and simulation results show that the scheme is scalable for large size networks and can resistant to Sybil attacks.

OSCILLATION FREQUENCY THEORY OF A PIEZOELECTRIC SENSOR INLIQUID PHASE WITH TWO SEPARATED－ELECTRODES

In this paper, an oscillation frequency equation for a pizoelectric sensor with two separated-electrodes is theoretically derived and experimentally verified. The correlatione of the oscillation frequency and the liquid properties are investigated.

The research progress and prospect for the technology of controlling surface subsidence by grouting separated layer in overburden at coal mines in China

The developed process and theoretical achievement for the technology of controlling surface subsidence by grouting separated layer in overburden is summarized in this paper. The research progress of the technology is discussed synthetically on the basis of practice and research results obtained at coal mine of China in recent years. According to the development tendency of mining under buildings, water bodies and railroads and the properties of the technology, the future research direction is proposed.

Research on data assimilation strategy of turbulent separated flow over airfoil

In order to increase the accuracy of turbulence field reconstruction,this paper combines experimental observation and numerical simulation to develop and establish a data assimilation framework,and apply it to the study of S809 low-speed and high-angle airfoil flow.The method is based on the ensemble transform Kalman filter(ETKF)algorithm,which improves the disturbance strategy of the ensemble members and enhances the richness of the initial members by screening high flow field sensitivity constants,increasing the constant disturbance dimensions and designing a fine disturbance interval.The results show that the pressure distribution on the airfoil surface after assimilation is closer to the experimental value than that of the standard Spalart-Allmaras(S-A)model.The separated vortex estimated by filtering is fuller,and the eddy viscosity field information is more abundant,which is physically consistent with the observation information.Therefore,the data assimilation method based on the improved ensemble strategy can more accurately and effectively describe complex turbulence phenomena.