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.

Non-separated microspores 1 controls male meiotic callose deposition at the cell plate in rice

In flowering plants, callose(β-1,3-glucan) plays a vital role in pollen development, especially in the separation and development of microspores. However, the molecular mechanism of callose deposition during rice pollen development remains unclear. In this study, we isolated and characterized a novel rice pollen defective mutant, non-separated microspores 1(nsm1), which produced “dyad” or “tetrad” pollen grains. Cytological analysis indicated disrupted interstitial callose deposition at the cell plate of dyads and tetrads in nsm1 pollens. This disruption caused sporopollenin to be massively deposited outside of the junction where the interstitial callose wall connected with the peripheral callose wall, or unevenly distributed on the interstitial pollen primexine at the late meiosis stage. Consequently, an excess tectum-like layer was formed outside of the junction, connecting with the tectum of two microspores during later developmental stages, which prevented the separation of microspores. Additionally, in the linkage area, the tectum of two microspores gradually fused or degenerated, resulting in a decreased contact area between microspores and the anther locule. Therefore, the defect in callose deposition resulted in unsuccessful separation of microspores, abnormal deposition of pollen exine, and also affected the accumulation of materials in microspores, resulting in pollen semi-sterility. NSM1, encoding a callose synthase located in the Golgi body, is ubiquitously expressed in anthers with its peak expression at the young microspore stage. The in vitro enzyme activity assay confirmed that NSM1 possesses callose synthase activity, and the enzyme activity in the nsm1 mutants was significantly reduced.Phylogenetic analysis indicated that NSM1 and its orthologs play a highly conserved role in callose biosynthesis among plant species. Taken together, we propose that NSM1 plays an essential role in male meiotic callose synthesis and later pollen wall development.

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 .

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.

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.

SYNTHESIS AND CHARACTERIZATION OF AMPHIPHILIC GRAFT COPOLYMER CONTAINING MICROPHASE SEPARATED AND LONG POLY(ETHYLENE OXIDE) SIDE CHAIN STRUCTURES

Acryloyl terminated Poly (ethyleneoxide)macromonomers (PEO-A) with different PEO chain lengths have been prepared by deactivation of PEO alkoxide with acryloyl chloride. A new kind of amphiphilic polystyrene-g-poly (ethylene oxide)graft copolymer containing both microphase separated and PEO side chain structures has been synthesized from radical copolymerization of PEO-A macromonomer with styrene. After careful purification by a newly-developed method called 'selective dissolution', the well-defined structure of the purified copolymers was confirmed by IR, ~1H-NMR and GPC. Various experimental parameters controlling the copolymerization were studied in detail. The results indicated that the feed ratio of styrene to macromonomer(S/M) was the most important determining factor for the composition of the copolymers. A detailed 'comb- model' was proposed to describe the molecular structure of the graft copolymers. Finally, this amphiphilic graft copolymers may readily form microphase separated structures as clearly indicated by transmission electron microscopy.

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.

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.

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.

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.

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.

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.

Decoupled thermal–hydraulic analysis of an air-cooled separated heat pipe for spent fuel pools under natural convection

An investigation of the decoupled thermal–hydraulic analysis of a separated heat pipe spent fuel pool passive cooling system(SFS)is essential for practical engineering applications.Based on the principles of thermal and mass balance,this study decoupled the heat transfer processes in the SFS.In accordance with the decoupling conditions,we modeled the spent fuel pool of the CAP1400 pressurized water reactor in Weihai and used computational fluid dynamics to explore the heat dissipation capacity of the SFS under different air temperatures and wind speeds.The results show that the air-cooled separated heat pipe radiator achieved optimal performance at an air temperature of 10℃ or wind speed of 8 m/s.Fitted equations for the equivalent thermal conductivity of the separated heat pipes with the wind speed and air temperature we obtained according to the thermal resistance network model.This study is instructive for the actual operation of an SFS.

Rational design of stratified material with spatially separated catalytic sites as an efficient overall water-splitting photocatalyst

The development of metal sulfide catalysts with remarkable activity toward efficient overall photocatalytic water splitting remains challenging owing to the dominant charge recombination and deficient catalytic active sites.Moreover,in the process of water oxidation catalysis,the inhibition of severe photocorrosion is an immense task,requiring effective photogenic hole-transfer kinetics.Herein,stratified Co-MnO_(2)@CdS/CoS hollow cubes with spatially separated catalytic sites were rationally designed and fabricated as highly efficient controllable catalysts for photocatalytic overall water splitting.The unique self-templated method,including a continuous anion/cation-exchange reaction,integrates a Co-doped oxidation co-catalyst(Co-MnO_(2))and a reduction co-catalyst(CoS)on the nanocubes with uniform interface contact and ultrathin two-dimensional(2D)nanometer sheets.We demonstrate that the stratified Co-MnO_(2)@CdS/CoS hollow cubes can provide an abundance of active sites for surface redox reactions and contribute to the separation and migration of the photoionization charge carriers.In particular,CoS nanoparticles dispersed on the walls of CdS hollow cubes were identified as reduction co-catalysts accelerating hydrogen generation,while Co-MnO_(2) nanosheets attached to the inner walls of the CdS hollow cube were oxidation co-catalysts,promoting oxygen evolution dynamics.Benefiting from the desirable structural and compositional advantages,optimized stratification of Co-MnO_(2)@CdS/CoS nanocubes provided a catalytic system devoid of precious metals,which exhibited a remarkable overall photocatalytic water-splitting rate(735.4(H_(2))and 361.1(O_(2))μmol h^(−1) g^(−1)),being among the highest values reported thus far for CdS-based catalysts.Moreover,an apparent quantum efficiency(AQE)of 1.32%was achieved for hydrogen evolution at 420 nm.This study emphasizes the importance of rational design on the structure and composition of photocatalysts for overall water splitting.

Separated root tip formation associated with a fractured tubercle of dens evaginatus: A case report

BACKGROUND Several previous studies have reported an unusual root formation in which a fractured apical fragment of an immature root continued to develop independent of the main root after trauma to an immature tooth.To date,there have been only rare reports of the continuing apical formation of the fractured root associated with dens evaginatus(DE).This paper presents a case of a separated root tip formation associated with a fractured tubercle of DE.CASE SUMMARY An 11-year-old boy was referred for gingival sinus on the buccal side of the right mandibular second premolar(tooth#45).Clinically,tooth#45 was free of caries,but there was a sign of a fractured tubercle of DE on the occlusal surface.Radiography showed that the root canal of tooth#45 was widely radiolucent.A separated root apex was found apically under the main root and was nearly completely formed with an apical orifice at the apical tip.Tooth#45 was diagnosed as tubular fracture of DE with chronic apical periodontitis.A revascularization technique was recommended to treat the tooth.At 3-mo and 1-yr follow-up,the patient remained asymptomatic.Periapical radiography revealed that the separated root tip distally drifted with closure of the apex.However,the root length and thickness of the main root did not increased.CONCLUSION Clinicians should be aware that even if tubercle of DE is fractured in an immature tooth,the root tip may be separated from the main root and completely formed.

Development and prospect of downhole monitoring and data transmission technology for separated zone water injection

This article outlines the development of downhole monitoring and data transmission technology for separated zone water injection in China.According to the development stages,the principles,operation processes,adaptability and application status of traditional downhole data acquisition method,cable communications and testing technology,cable-controlled downhole parameter real-time monitoring communication method and downhole wireless communication technology are introduced in detail.Problems and challenges of existing technologies in downhole monitoring and data transmission technology are pointed out.According to the production requirement,the future development direction of the downhole monitoring and data transmission technology for separated zone water injection is proposed.For the large number of wells adopting cable measuring and adjustment technology,the key is to realize the digitalization of downhole plug.For the key monitoring wells,cable-controlled communication technology needs to be improved,and downhole monitoring and data transmission technology based on composite coiled tubing needs to be developed to make the operation more convenient and reliable.For large-scale application in oil fields,downhole wireless communication technology should be developed to realize automation of measurement and adjustment.In line with ground mobile communication network,a digital communication network covering the control center,water distribution station and oil reservoir should be built quickly to provide technical support for the digitization of reservoir development.

Development and prospect of separated zone oil production technology

This article outlines the development of separated zone oil production in foreign countries,and details its development in China.According to the development process,production needs,technical characteristics and adaptability of oilfields in China,the development of separate zone oil production technology is divided into four stages:flowing well zonal oil production,mechanical recovery and water blocking,hydraulically adjustable zonal oil production,and intelligent zonal production.The principles,construction processes,adaptability,advantages and disadvantages of the technology are introduced in detail.Based on the actual production situation of the oilfields in China at present,three development directions of the technology are proposed.First,the real-time monitoring and adjustment level of separated zone oil production needs to be improved by developing downhole sensor technology and two-way communication technology between ground and downhole and enhancing full life cycle service capability and adaptability to horizontal wells.Second,an integrated platform of zonal oil production and management should be built using a digital artificial lifting system.Third,integration of injection and production should be implemented through large-scale application of zonal oil production and zonal water injection to improve matching and adjustment level between the injection and production parameters,thus making the development adjustment from"lag control"to"real-time optimization"and improving the development effect.