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.

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.

Effect of leading-edge tubercles on the flow over low-aspect-ratio wings at low Reynolds number

Two-dimensional time-resolved particle image velocimetry(TR-PIV)and stereographic particle image velocimetry(SPIV)techniques were used to investigate the effect of leading-edge tubercles on the flow over low-aspect-ratio wing models.The angle of attack is fixed at 10°,and the Reynolds number based on chord length is 5.8×10^(3).It is shown that the leading-edge tubercles can effectively mitigate flow separation in the model and also reduce the contribution of wake vortex to the fluctuating energy of flow.Counter-rotating vortex pairs(CVPs)initiated from the peak of leading-edge tubercles can promote nearby momentum exchange,enhance mixing of the flow and increase the energy contained in the boundary layer,which results in resisting the larger adverse pressure gradient.Therefore,it is concluded that CVPs play an important role in mitigating the flow separation for wings with leading-edge tubercles.

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.

Direct capture and separation of CO_(2) from air

Direct air capture(DAC)has attracted increasing interest and investment over the past few years.There are a fast-growing number of companies that entered the field and demonstrated DAC carbon removal setups and potential.However,current DAC methods are still based on solid absorbents or alkali solutions approaches which have low capture efficiency and low energy efficiency.This highlight proposed a promising CO_(2) capture technology,an electric energy driven closed-loop system for the direct removal of CO_(2) from ambient air which are based on two individual technologies:Polyam-N-Cu hybrid system promoted CO_(2) capture with ocean as anthropogenic CO_(2) sink and a chloride-mediated electrochemical pH swing system to remove CO_(2) from oceanwater.

Deep learning enabled single-shot absolute phase recovery in high-speed composite fringe pattern profilometry of separated objects

A recent article in the Opto-Electronic Advances(OEA)journal from Prof.Qian Chen and Prof.Chao Zuo’s group introduced a new and efficient 3D imaging system that captures high-speed images using deep learning-enabled fringe projection profilometry(FPP).In this News&Views article,we explore potential avenues for future advancements,including expanding the measurement range through an extended number-theoretical approach,enhancing quality through the incorporation of horizontal fringes,and integrating data from other modalities to broaden the system's applications.

Phase separation and transcriptional regulation in cancer development

Liquid-liquid phase separation,a novel biochemical phenomenon,has been increasingly studied for its medical applications.It underlies the formation of membrane-less organelles and is involved in many cellular and biological processes.During transcriptional regulation,dynamic condensates are formed through interactions between transcriptional elements,such as transcription factors,coactivators,and mediators.Cancer is a disease characterized by uncontrolled cell proliferation,but the precise mechanisms underlying tumorigenesis often remain to be elucidated.Emerging evidence has linked abnormal transcriptional condensates to several diseases,especially cancer,implying that phase separation plays an important role in tumorigenesis.Condensates formed by phase separation may have an effect on gene transcription in tumors.In the present review,we focus on the correlation between phase separation and transcriptional regulation,as well as how this phenomenon contributes to cancer development.

Stabilizing zinc anode using zeolite imidazole framework functionalized separator for durable aqueous zinc-ion batteries

Aqueous zinc-ion batteries(AZIBs) hold great promise as a viable alternative to lithium-ion batteries owing to their high energy density and environmental friendliness.However,AZIBs are consistently plagued by the formation of zinc dendrites and concurrent side reactions,which significantly diminish their overall service life,In this study,the glass fiber separator(GF) is modified using zeolite imidazole salt framework-8(ZIF-8),enabling the development of efficient AZIBs.ZIF-8,which is abundant in nitrogen content,efficiently regulates the desolvation of [Zn(H_(2)O)_(6)]^(2+) to inhibit hydrogen production.Moreover,it possesses abundant nanochannels that facilitate the uniform deposition of Zn~(2+) via a localized action,thereby hindering the formation of dendrites.The insulating properties of ZIF-8 help prevent Zn^(2+) and water from trapping electron reduction at the layer surface,which reduces corrosion of the zinc anode.Consequently,ZIF-8-GF achieves the even transport of Zn^(2+) and regulates the homogeneous deposition along the Zn(002) crystal surface,thus significantly enhancing the electrochemical performance of the AZIBs,In particular,the Zn|Zn symmetric cell with the ZIF-8-GF separator delivers a stable cycle life at0.5 mA cm^(-2) of 2300 h.The Zn|ZIF-8-GF|MnO_(2) cell exhibits reduced voltage polarization while maintaining a capacity retention rate(93.4%) after 1200 cycles at 1.2 A g^(-1) The unique design of the modified diaphragm provides a new approach to realizing high-performance AZIBs.

Investigation of the interaction between NS-DBD plasma-induced vortexes and separated flow over a swept wing

The effect of nanosecond pulsed dielectric barrier discharge(NS-DBD) plasma flow separation control is closely related to the actuation frequency,because it involves the interaction between plasma-induced vortexes and separated flow.In order to study the mechanism of NS-DBD plasma flow separation control over a swept wing,especially the influence of the actuation frequency,at first,experimental studies of the actuation frequencies at 100 Hz are conducted to validate the numerical simulation method.Then,numerical studies of different actuation frequencies which are 50 Hz,100 Hz,160 Hz,200 Hz,500 Hz,and 1000 Hz,respectively are conducted.The interaction between the plasma-induced vortexes and the separated flow is analyzed.Results show that there is a range of the actuation frequency which includes the frequency(160 Hz) calculated by the average aerodynamic chord length to make the control effect good,but when the actuation frequencies are too low(50 Hz) or too high(1000 Hz),the control effect will get worse.The former is because plasmainduced vortexes disappear in a period within an actuation cycle;the latter is because plasma-induced vortexes cannot develop completely,resulting in a weak vortex intensity.

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.

The flow behavior of droplet adsorption on a liquid-liquid interface accompanied by cross-linking reaction and phase separation in a microchannel

The adsorption process of droplets on the liquid-liquid interface and phase separation process can regulate the spatial distribution of the fluid system,which are crucial for chemical engineering.However,the cross-linking reaction,which is widely used in the field of polymers,can change the physical properties of the fluids and affect the flow behavior accordingly.A configuration of microchannels is designed to conveniently generate uniform droplets in one phase of the parallel flow.The flow behavior of the adsorption process of sodium alginate droplets on the liquid-liquid interface is investigated,and the subsequent process of phase separation is studied.In the process of droplet adsorption,the crosslinking reaction occurs synchronously,which makes the droplet viscosity and the elasticity modules of the droplet surface increase,thus affecting the dynamics of the adsorption process and the equilibrium shape of the droplet.The variation of the adsorption length with time is divided into three stages,which all conform to power law relationship.The exponents of the second and third stages deviate from the results of the Tanner's law.The flow pattern maps of droplet adsorption and phase separation are drawn,and the operating ranges of complete adsorption and complete separation are provided.This study provides a theoretical basis for further studying the flow behavior of droplets with cross-linking reaction in a microchannel.

Environmental,economic and exergy analysis of separation of ternary azeotrope by variable pressure extractive distillation based on multi-objective optimization

In this work,the ternary azeotrope of tert-butyl alcohol/ethyl acetate/water is separated by extractive distillation(ED)to recover the available constituents and protect the environment.Based on the conductor like shielding model and relative volatility method,ethylene glycol was selected as the extractant in the separation process.In addition,in view of the characteristic that the relative volatility between components changes with pressure,the multi-objective optimization method based on nondominated sorting genetic algorithm II optimizes the pressure and the amount of solvent cooperatively to avoid falling into the optimal local solution.Based on the optimal process parameters,the proposed heat-integrated process can reduce the gas emissions by 29.30%.The heat-integrated ED,further coupled with the pervaporation process,can reduce gas emission by 42.36%and has the highest exergy efficiency of 47.56%.In addition,based on the heat-integrated process,the proposed two heat pump assisted heat-integrated ED processes show good economic and environmental performance.The double heat pump assisted heat-integrated ED can reduce the total annual cost by 28.78%and the gas emissions by 55.83%compared with the basis process,which has a good application prospect.This work provides a feasible approach for the separation of ternary azeotropes.

Flotation separation of scheelite from calcite using luteolin as a novel depressant

This paper proposes luteolin(LUT)as a novel depressant for the flotation-based separation of scheelite and calcite in a sodium oleate(NaOL)system.The suitability of LUT as a calcite depressant is confirmed through micro-flotation testing.At pH=9,with LUT concentration of 50 mg·L^(-1) and NaOL concentration of 50 mg·L^(-1),scheelite recovery reaches 80.3%.Calcite,on the other hand,exhibits a recovery rate of 17.6%,indicating a significant difference in floatability between the two minerals.Subsequently,the surface modifica-tions of scheelite and calcite following LUT treatment are characterized using adsorption capacity testing,Zeta potential analysis,Fourier transform infrared spectroscopy(FT-IR),X-ray photoelectron spectroscopy(XPS),and atomic force microscopy(AFM).The study in-vestigates the selective depressant mechanism of LUT on calcite.Adsorption capacity testing and Zeta potential analysis demonstrate sub-stantial absorption of LUT on the surface of calcite,impeding the further adsorption of sodium oleate,while its impact on scheelite is min-imal.FT-IR and XPS analyses reveal the selective adsorption of LUT onto the surface of calcite,forming strong chemisorption bonds between the hydroxyl group and calcium ions present.AFM directly illustrates the distinct adsorption densities of LUT on the two miner-al types.Consequently,LUT can effectively serve as a depressant for calcite,enabling the successful separation of scheelite and calcite.

Comment on:Recurrence after spontaneous separation of epiretinal membrane in a young woman:a case report

Dear Editor,Herein,we provide a commentary on the recently published article by Zeng QZ and Yu WZ[1].This case report provides interesting novel insights into the recurrence of epiretinal membrane(ERM)following self-separation in a young patient.In addition to the study,we have been investigating spontaneous ERM release for many years and have recently published a related paper[2].

Flotation separation of brucite and calcite in dodecylamine system enhanced by regulator potassium dihydrogen phosphate

To achieve efficient flotation separation of brucite and calcite,flotation separation experiments were conducted on two minerals using dodecylamine(DDA)as the collector and potassium dihydrogen phosphate(PDP)as the regulator.The action mechanism of DDA and PDP was explored through contact angle measurement,zeta potential detection,solution chemistry calculation,FTIR analysis,and XPS detection.The flotation results showed that when DDA dosage was 35 mg/L and PDP dosage was 40 mg/L,the maximum floating difference between brucite and calcite was 79.81%,and the selectivity separation index was 6.46.The detection analysis showed that the main dissolved component HPO_(4)^(2−)of PDP is selectively strongly adsorbed on the Ca site on the surface of calcite,promoting the adsorption of the main dissolved component RNH_(3)^(+)of DDA on calcite surface,while brucite is basically not affected by PDP.Therefore,PDP is an effective regulator for the reverse flotation separation of brucite and calcite in DDA system.

Preparation of a zeolite-palladium composite membrane for hydrogen separation:Influence of zeolite film on membrane stability

With the development of hydrogen energy,palladium-based membranes have been widely used in hydrogen separation and purification.However,the poor chemical stability of palladium composite membranes limits their commercial applications.In this study,a zeolite-palladium composite membrane with a sandwich-like structure was obtained by using a TS-1 zeolite film grown on the surface of palladium membrane.The membrane microstructure was characterized by SEM and EDX.The effects of the TS-1 film on the hydrogen permeability and stability of palladium composite membrane were investigated in details.Benefited from the protection of the TS-1 zeolite film,the stability of palladium composite membrane was enhanced.The results indicate that the TS-1-Pd composite membrane was stable after eight cycles of the temperature exchange cycles between 773 K and 623 K.Especially,the loss of hydrogen permeance for TS-1-Pd composite membrane was much smaller than that of the pure palladium membrane when the membrane was tested in the presence of C3H6atmosphere.It indicated that the TS-1-Pd composite membrane had better chemical stability in comparison with pure palladium membrane,owing to its sandwich-like structure.This work provides an efficient way for the deposition of zeolite film on palladium membrane to enhance the membrane stability.

Role of tannin pretreatment in flotation separation of magnesite and dolomite

Flotation separation of magnesite and its calcium-containing carbonate minerals is a difficult problem.Recently,new regulat-ors have been proposed for magnesite flotation decalcification,although traditional regulators such as tannin,water glass,sodium carbon-ate,and sodium hexametaphosphate are more widely used in industry.However,they are rarely used as the main regulators in research because they perform poorly in magnesite and dolomite single-mineral flotation tests.Inspired by the limonite presedimentation method and the addition of a regulator to magnesite slurry mixing,we used a tannin pretreatment method for separating magnesite and dolomite.Microflotation experiments confirmed that the tannin pretreatment method selectively and largely reduces the flotation recovery rate of dolomite without affecting the flotation recovery rate of magnesite.Moreover,the contact angles of the tannin-pretreated magnesite and dolomite increased and decreased,respectively,in the presence of NaOl.Zeta potential and Fourier transform infrared analyses showed that the tannin pretreatment method efficiently hinders NaOl adsorption on the dolomite surface but does not affect NaOl adsorption on the magnesite surface.X-ray photoelectron spectroscopy and density functional theory calculations confirmed that tannin interacts more strongly with dolomite than with magnesite.

Ferric ion-triggered surface oxidation of galena for efficient chalcopyrite-galena separation

The efficient separation of chalcopyrite(CuFeS2)and galena(PbS)is essential for optimal resource utilization.However,find-ing a selective depressant that is environmentally friendly and cost effective remains a challenge.Through various techniques,such as mi-croflotation tests,Fourier transform infrared spectroscopy,scanning electron microscopy(SEM)observation,X-ray photoelectron spec-troscopy(XPS),and Raman spectroscopy measurements,this study explored the use of ferric ions(Fe^(3+))as a selective depressant for ga-lena.The results of flotation tests revealed the impressive selective inhibition capabilities of Fe^(3+)when used alone.Surface analysis showed that Fe^(3+)significantly reduced the adsorption of isopropyl ethyl thionocarbamate(IPETC)on the galena surface while having a minimal impact on chalcopyrite.Further analysis using SEM,XPS,and Raman spectra revealed that Fe^(3+)can oxidize lead sulfide to form compact lead sulfate nanoparticles on the galena surface,effectively depressing IPETC adsorption and increasing surface hydrophilicity.These findings provide a promising solution for the efficient and environmentally responsible separation of chalcopyrite and galena.

A novel molybdenite depressant for efficient selective flotation separation of chalcopyrite and molybdenite

A novel small molecule depressant(M-DEP)was used to separate chalcopyrite and molybdenite via flotation.The results showed that M-DEP had an excellent selective depression on molybdenite,while had little effect on the flotation of chalcopyrite.The adsorption capacity of M-DEP on the surface of molybdenite was greater than that on chalcopyrite surface.The adsorption of M-DEP reduced the floatability of molybdenite and had less effect on the floatability of chalcopyrite,which was due to its different adsorption modes on the surface of the two minerals.Furthermore,the interaction between chalcopyrite and M-DEP was mainly chemical interaction,and almost all of the adsorbed M-DEP molecules were removed and replaced by sodium butyl xanthate(SBX).By contrast,hydrophobic interaction was the main way in which M-DEP was adsorbed on the molybdenite surface with little chemical interaction,which was less interfered by SBX addition.Therefore,M-DEP had a super selective depression on molybdenite.The study provided a novel depressant and approach for the deep separation of chalcopyrite and molybdenite via flotation.

Converting an O-vacancy-rich oxide into a multifunctional separator modifier for long-lifespan lithium metal batteries

The lithium metal anode is hailed as the desired "holy grail" for the forthcoming generation of highenergy-density batteries,given its astounding theoretical capacity and low potential.Nonetheless,the formation and growth of dendrites seriously compromise battery life and safety.Herein,an yttriastabilized bismuth oxide(YSB) layer is fabricated on the polypropylene(PP) separator,where YSB reacts with Li anode in-situ in the cell to form a multi-component composite interlayer consisting of Li_(3)Bi,Li_(2)O,and Y_(2)O_(3).The interlayer can function not only as a redistributor to regulate Li^(+) distribution but also as an anion adsorber to increase the Li^(+) transference number from 0.37 to 0.79 for suppressing dendrite nucleation and growth.Consequently,compared with the cell with a baseline separator,those with modified separators exhibit prolonged lifespan in both Li/Li symmetrical cells and Li/Cu half-cells.Notably,the full cells coupled with ultrahigh-loading LiFePO_(4) display an excellent cycling performance of 1700 cycles with a high capacity retention of ~80% at 1 C,exhibiting great potential for practical applications.This work provides a feasible and effective new strategy for separator modification towards building a much-anticipated dendrite-free Li anode and realizing long-lifespan lithium metal batteries.