H-and J-aggregation of conjugated small molecules in organic solar cells

As H-and J-aggregation receive more and more attention in the research of organic solar cells(OSCs),especially in small molecular systems,deep understanding of aggregation behavior is needed to guide the design of conjugated small molecular structure and the fabrication process of OSC device.For this end,this review is written.Here,the review firstly introduced the basic information about H-and J-aggregation of conjugated small molecules in OSCs.Then,the characteristics of H-and J-aggregation and the methods to identify them were summarized.Next,it reviewed the research progress of H-and J-aggregation of conjugated small molecules in OSCs,including the factors influencing H-and J-aggregation in thin film and the effects of H-and J-aggregation on OPV performance.

Graphene effectively activating "dead" water molecules between manganese dioxide layers in potassium-ion battery

Aqueous potassium-ion batteries(APIBs),recognized as safe and reliable new energy devices,are considered as one of the alternatives to traditional batteries.Layered MnO_(2),serving as the main cathode,exhibits a lower specific capacity in aqueous electrolytes compared to organic systems and operates through a different reaction mechanism.The application of highly conductive graphene may effectively enhance the capacity of APIBs but could complicate the potassium storage environment.In this study,a MnO_(2) cathode pre-intercalated with K~+ions and grown on graphene(KMO@rGO) was developed using the microwave hydrothermal method for APIBs.KMO@rGO achieved a specific capacity of 90 mA h g^(-1) at a current density of 0.1 A g^(-1),maintaining a capacity retention rate of>90% after 5000 cycles at 5 A g^(-1).In-situ and exsitu characterization techniques revealed the energy-storage mechanism of KMO@rGO:layered MnO_(2)traps a large amount of "dead" water molecules during K~+ions removal.However,the introduction of graphene enables these water molecules to escape during K~+ ions insertion at the cathode.The galvanostatic intermittent titration technique and density functional theory confirmed that KMO@rGO has a higher K~+ions migration rate than MnO_(2).Therefore,the capacity of this cathode depends on the interaction between dead water and K~+ions during the energy-storage reaction.The optimal structural alignment between layered MnO_(2) and graphene allows electrons to easily flow into the external circuit.Rapid charge compensation forces numerous low-solvent K~+ions to displace interlayer dead water,enhancing the capacity.This unique reaction mechanism is unprecedented in other aqueous battery studies.

Large-scale interplant exchange of macromolecules between soybean and dodder under nutrient stresses

Parasitic plants and their hosts communicate through haustorial connections.Nutrient deficiency is a common stress for plants,yet little is known about whether and how host plants and parasites communicate during adaptation to such nutrient stresses.In this study,we used transcriptomics and proteomics to analyze how soybean(Glycine max)and its parasitizing dodder(Cuscuta australis)respond to nitrate and phosphate deficiency(-N and-P).After-N and-P treatment,the soybean and dodder plants exhibited substantial changes of transcriptome and proteome,although soybean plants showed very few transcriptional responses to-P and dodder did not show any transcriptional changes to either-N or-P.Importantly,large-scale interplant transport of mRNAs and proteins was detected.Although the mobile mRNAs only comprised at most 0.2%of the transcriptomes,the foreign mobile proteins could reach 6.8%of the total proteins,suggesting that proteins may be the major forms of interplant communications.Furthermore,the interplant mobility of macromolecules was specifically affected by the nutrient regimes and the transport of these macromolecules was very likely independently regulated.This study provides new insight into the communication between host plants and parasites under stress conditions.

Optimal and robust control of population transfer in asymmetric quantum-dot molecules

We present an optimal and robust quantum control method for efficient population transfer in asymmetric double quantum-dot molecules.We derive a long-duration control scheme that allows for highly efficient population transfer by accurately controlling the amplitude of a narrow-bandwidth pulse.To overcome fluctuations in control field parameters,we employ a frequency-domain quantum optimal control theory method to optimize the spectral phase of a single pulse with broad bandwidth while preserving the spectral amplitude.It is shown that this spectral-phase-only optimization approach can successfully identify robust and optimal control fields,leading to efficient population transfer to the target state while concurrently suppressing population transfer to undesired states.The method demonstrates resilience to fluctuations in control field parameters,making it a promising approach for reliable and efficient population transfer in practical applications.

Critical Solvation Structures Arrested Active Molecules for Reversible Zn Electrochemistry

Aqueous Zn-ion batteries(AZIBs)have attracted increasing attention in next-generation energy storage systems due to their high safety and economic.Unfortunately,the side reactions,dendrites and hydrogen evolution effects at the zinc anode interface in aqueous electrolytes seriously hinder the application of aqueous zinc-ion batteries.Here,we report a critical solvation strategy to achieve reversible zinc electrochemistry by introducing a small polar molecule acetonitrile to form a“catcher”to arrest active molecules(bound water molecules).The stable solvation structure of[Zn(H_(2)O)_(6)]^(2+)is capable of maintaining and completely inhibiting free water molecules.When[Zn(H_(2)O)_(6)]^(2+)is partially desolvated in the Helmholtz outer layer,the separated active molecules will be arrested by the“catcher”formed by the strong hydrogen bond N-H bond,ensuring the stable desolvation of Zn^(2+).The Zn||Zn symmetric battery can stably cycle for 2250 h at 1 mAh cm^(-2),Zn||V_(6)O_(13) full battery achieved a capacity retention rate of 99.2%after 10,000 cycles at 10 A g^(-1).This paper proposes a novel critical solvation strategy that paves the route for the construction of high-performance AZIBs.

Emerging molecules,tools,technology,and future of surgical knife in gastroenterology

The 21^(st) century has started with several innovations in the medical sciences,with wide applications in health care management.This development has taken in the field of medicines(newer drugs/molecules),various tools and technology which has completely changed the patient management including abdominal surgery.Surgery for abdominal diseases has moved from maximally invasive to minimally invasive(laparoscopic and robotic)surgery.Some of the newer medicines have its impact on need for surgical intervention.This article focuses on the development of these emerging molecules,tools,and technology and their impact on present surgical form and its future effects on the surgical intervention in gastroenterological diseases.

MOLECULES AND NEW INTERACTIONAL STRUCTURES FOR A(2+1)-DIMENSIONAL GENERALIZED KONOPELCHENKO-DUBROVSKY-KAUP-KUPERSHMIDT EQUATION

Soliton molecules(SMs)of the(2+1)-dimensional generalized KonopelchenkoDubrovsky-Kaup-Kupershmidt(gKDKK)equation are found by utilizing a velocity resonance ansatz to N-soliton solutions,which can transform to asymmetric solitons upon assigning appropriate values to some parameters.Furthermore,a double-peaked lump solution can be constructed with breather degeneration approach.By applying a mixed technique of a resonance ansatz and conjugate complexes of partial parameters to multisoliton solutions,various kinds of interactional structures are constructed;There include the soliton molecule(SM),the breather molecule(BM)and the soliton-breather molecule(SBM).Graphical investigation and theoretical analysis show that the interactions composed of SM,BM and SBM are inelastic.

Therapies for Tau-associated neurodegenerative disorders:targeting molecules,synapses,and cells

Advances in experimental and computational technologies continue to grow rapidly to provide novel avenues for the treatment of neurodegenerative disorders. Despite this, there remain only a handful of drugs that have shown success in late-stage clinical trials for Tau-associated neurodegenerative disorders. The most commonly prescribed treatments are symptomatic treatments such as cholinesterase inhibitors and N-methyl-D-aspartate receptor blockers that were approved for use in Alzheimer's disease. As diagnostic screening can detect disorders at earlier time points, the field needs pre-symptomatic treatments that can prevent, or significantly delay the progression of these disorders(Koychev et al., 2019). These approaches may be different from late-stage treatments that may help to ameliorate symptoms and slow progression once symptoms have become more advanced should early diagnostic screening fail. This mini-review will highlight five key avenues of academic and industrial research for identifying therapeutic strategies to treat Tau-associated neurodegenerative disorders. These avenues include investigating(1) the broad class of chemicals termed “small molecules”;(2) adaptive immunity through both passive and active antibody treatments;(3) innate immunity with an emphasis on microglial modulation;(4) synaptic compartments with the view that Tau-associated neurodegenerative disorders are synaptopathies. Although this mini-review will focus on Alzheimer's disease due to its prevalence, it will also argue the need to target other tauopathies, as through understanding Alzheimer's disease as a Tau-associated neurodegenerative disorder, we may be able to generalize treatment options. For this reason, added detail linking back specifically to Tau protein as a direct therapeutic target will be added to each topic.

First-principles study on the co-adsorption of water and oxygen molecules on chalcopyrite(112)-M surface

Chalcopyrite is a common copper-bearing mineral with antiferromagnetic properties.However,this property has rarely been considered in previous studies for detailed adsorption behaviors of molecules on chalcopyrite.Based on density functional theory(DFT),new adsorption pathways by H_(2)O and O_(2)on the chalcopyrite metal terminated(112)surface((112)-M)is found in this work.First,through simulating the adsorption of an isolated water molecule and monolayer water molecules,it is confirmed that H_(2)O molecules tend to adsorb on the surface Fe atoms more than on the surface Cu atoms.Then,we studied various adsorption behaviors of the O_(2)molecule.It is found that the adsorption on the hollow FeAFe site is the most stable case;however,O_(2)is undissociated.Two adsorption cases will happen when H_(2)OAO_(2)adsorb simultaneously on the surface.For the S site,the H_(2)O molecule thoroughly dissociated and formed SAO species,and the other case is H_(2)O undissociated adsorbing at the Cu site.For the former case,it is interesting that H_(2)O is dissociated before O_(2).

Soliton molecules,T-breather molecules and some interaction solutions in the(2+1)-dimensional generalized KDKK equation

By employing the complexification method and velocity resonant principle to N-solitons of the(2+1)-dimensional generalized Konopelchenko–Dubrovsky–Kaup–Kupershmidt(KDKK)equation,we obtain the soliton molecules,T-breather molecules,T-breather–L-soliton molecules and some interaction solutions when N≤6.Dynamical behaviors of these solutions are discussed analytically and graphically.The method adopted can be effectively used to construct soliton molecules and T-breather molecules of other nonlinear evolution equations.The results obtained may be helpful for experts to study the related phenomenon in oceanography and atmospheric science.

Experimental verification of nanonization enhanced solubility for poorly soluble optoelectronic molecules

Solubility enhancement has been a priority to overcome poor solubility with optoelectronic molecules for solution-processable devices. This study aims to obtain experimental data on the effect of particle sizes on the solubility properties of several typical optoelectronic molecules in organic solvents, including the solubility results of 1,3-bis(9-carbazolyl)benzene(m CP), 1,3,5-tris(1-phenyl-1H-benzimidazol-2-yl)ben zene(TPBi) and 2-(4-tert-butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole(PBD) in ethanol and acetonitrile,respectively. Nanoparticles of m CP, TPBi and PBD with sizes from dozens to several hundred nanometers were prepared by solvent antisolvent precipitation method and their solubility were determined by using isothermal saturation method. The saturation solubility of nanoparticles of three kinds of optoelectronic molecules exhibited increase of 12.9%-25.7% in comparison to the same raw materials in the form of microparticles. The experimental evidence indicates that nanonization technology is a feasible way to make optoelectronic molecules dissolve in liquids with enhanced solubility.

Generation of a blue-detuned optical storage ring by a metasurface and its application in optical trapping of cold molecules

A scheme for storage of cold molecules in a hollow optical ring generated by a metasurface grating is proposed.The characteristics and intensity distribution related to the ring’s structural parameters and fabrication error tolerance are theoretically studied. The optical potential and dipole force required for the ring to trap magnesium monofluoride(MgF)molecules are also calculated. The dynamic behavior of MgF molecules in the storage ring is simulated by a Monte Carlo method, which shows that a metasurface-based optical storage ring can be used to trap molecules and is an interesting platform for research into ultracold quantum gases and their quantum-state manipulation.

Recent Progress of Surface Passivation Molecules for Perovskite Solar Cell Applications

Due to the solution processable nature,the prepared perovskite films are polycrystalline with considerable number of defects.These defects,especially defects at interface accelerate the carrier recombination and reduce the carrier collection.Besides,the surface defects also affect the long-term stability of the perovskite solar cells(PVSCs).To solve this problem,surface passivation molecules are introduced at selective interface(the interface between perovskite and carrier selective layer).This review summarizes recent progress of small molecules used in PVSCs.Firstly,different types of defect states in perovskite films are introduced and their effects on device performance are discussed.Subsequently,surface passivation molecules are divided into four categories,and the interaction between the functional groups of the surface passivation molecules and selective defect states in perovskite films are highlighted.Finally,we look into the prospects and challenges in design noble small molecules for PVSCs applications.

Double open mouse-like terpyridine parts based amphiphilic ionic molecules displaying strengthened chemical adsorption for anticorrosion of copper in sulfuric acid solution

In this study,the benign target double terpyridine parts based amphiphilic ionic molecules(AIMs 1,2)and the reference single terpyridine segment included AIMs(AIMs 3,4)were synthesized through a multi-step method,and the molecular structures were fully characterized.The excellent anticorrosion of the target AIMs for copper surface in H_(2)SO_(4) solution was demonstrated by the electrochemistry analysis,which was more superior over those of the reference AIMs.The standard adsorption free energy changes of the target AIMs calculated by the adsorption isotherms were lower than -40 kJ·mol^(-1),suggesting an intensified chemical adsorption on metal surface.The molecular modeling and molecular dynamic computation of the studied AIMs were performed,demonstrating that the target AIMs exhibited lower highest occupied molecular orbital-lowest unoccupied molecular orbital energy gaps and greater adsorption energies than the reference ones.The chemical adsorption of the AIMs on metal surface was revealed by various spectroscopic methods including scanning electron microscopy,atomic force microscopy,Fourier transform infrared spectroscopy,attenuated total reflection infrared spectroscopy,Raman and X-ray diffraction.

Mixed-field effect at the hyperfine level of^(127)I^(79)Br in its rovibronic ground state:Toward field manipulation of cold molecules

The mixed-field effect at the hyperfine level of the rovibronic ground state of the^(127)I^(79)Br(X^(1)Σ,v=0,J=0)molecule is computed on the J-I uncoupled basis of|JM_(J)I_(1)M_(1)I_(2)M_(2)>,where J is the molecular total angular momentum excluding nuclear spin,M_J is the projection number of J,I_(1) and I_(2) are the nuclear spins of the iodine and bromine atoms,and M_(1) and M_(2) are the projection numbers of I_(1) and I_(2),respectively.When the two applied electric and magnetic fields are parallel,the perturbations are rare and only one perturbation is observed in a relatively large field regime in our computation range.However,when the two fields are off-parallel,the perturbations increase significantly and some sublevels show the Feshbach-like resonance phenomenon.Therefore,such sublevels transit between weak-field seeking and strong-field seeking repeatedly,which can be utilized to enhance or suppress cold molecular collision and chemical reaction rates.Such behavior of the molecular hyperfine structure in the mixed off-parallel fields may also be utilized to construct an electric-field-assisted anti-Helmholtz magnetic trap for cold molecules and to realize evaporative cooling of cold molecules(sub-mK)into the ultracold regime(μK).

Resonant interactions among two-dimensional nonlinear localized waves and lump molecules for the(2+1)-dimensional elliptic Toda equation

The(2+1)-dimensional elliptic Toda equation is a high-dimensional generalization of the Toda lattice and a semidiscrete Kadomtsev–Petviashvili I equation.This paper focuses on investigating the resonant interactions between two breathers,a breather/lump and line solitons as well as lump molecules for the(2+1)-dimensional elliptic Toda equation.Based on the N-soliton solution,we obtain the hybrid solutions consisting of line solitons,breathers and lumps.Through the asymptotic analysis of these hybrid solutions,we derive the phase shifts of the breather,lump and line solitons before and after the interaction between a breather/lump and line solitons.By making the phase shifts infinite,we obtain the resonant solution of two breathers and the resonant solutions of a breather/lump and line solitons.Through the asymptotic analysis of these resonant solutions,we demonstrate that the resonant interactions exhibit the fusion,fission,time-localized breather and rogue lump phenomena.Utilizing the velocity resonance method,we obtain lump–soliton,lump–breather,lump–soliton–breather and lump–breather–breather molecules.The above works have not been reported in the(2+1)-dimensional discrete nonlinear wave equations.

Adjusting amplitude of the stored optical solitons by inter-dot tunneling coupling in triple quantum dot molecules

We study the propagation properties of a probe field in an aligned asymmetric triple quantum dot molecule with both sides inter-dot tunneling coupling effect. It is shown that the probe field can form optical soliton due to the destructive quantum interference induced by the quantum inter-dot tunneling coupling effect. Interestingly, these optical solitons can be stored and retrieved by adjusting single or double inter-dot tunneling coupling effect, different from that light memory in the ultra-cold atom system. Furthermore, we also find that the amplitude of the stored optical soliton can be adjusted by the strength of the single or double inter-dot tunneling coupling. It is possible to improve the stability and the fidelity of the optical information in the process of the storage and retrieval in semiconductor quantum dots devices.

Research progress of immune checkpoint molecules in pregnancy

In recent years,immune checkpoint molecules have made breakthroughs in the fields of inducing graft tolerance,tumor immune escape and preventing autoimmunity.These immunoregulatory factors,when combined with ligand,can transduce the inhibitory signal into cells to negatively regulate the immune response,which brings new enlightenment for the immune research of pregnancy and pregnancy complications.In this review,we reviewed the immunomodulatory effects of CTLA-4,PD-1 and Tim-3 in pregnancy,in order to evaluate their potential effects in pregnancy,and to provide a new direction for the immunotherapy of pregnancy complications.

Toxic chemotherapeutic nutrition of cancer cells by alkaline glucosodiene molecules via targeting metabolic of cancerous tumors: a promising theory for cancer treatment

Cancer is a genetic disease characterized by heritable defects in cellular regulatory mechanisms.Tumor cells must adapt their metabolism to survive and proliferate in the challenging conditions of the tumor microenvironment.To maintain uncontrolled cellular growth and survival,cancer cells alter their metabolism,which makes them dependent on a steady supply of nutrients and energy.Almost a century ago,the Warburg theory suggested that cancer cells consume glucose even in the presence of oxygen.Recent studies have confirmed that cancer cells indeed consume significantly more glucose than normal cells.Cancerous tumors require an acidic microenvironment with low oxygen levels for growth and spread.However,recent advances in pH measurement have shown that the intracellular pH of cancer cells is neutral or slightly alkaline compared to normal tissue cells.This finding indicates that not all tumors are highly acidic.Taking advantage of cancer cells’high glucose consumption,a strategy to lyse cancer cells is tested by means of glucose modifications that exploit the characteristics of their uncontrolled growth process.From the study of the molecular structure to give him alkaline properties that enable him to make defects in the tumor structure and possibly achieve cell killing,this situation will have a killing effect on cancer cells if small molecules of toxic atoms(alkaline atoms)can be continuously supplied to them through food,due to the uncontrolled consumption of glucose molecules by cancer cells.This theory attempts to investigate by changing the atomic structure of glucose molecules to make them alkaline glucosodiene molecules as one of the methods to kill cancer cells.By preparing alkaline glucosodiene molecules and performing animal experiments and histological observations,it was shown that tumors without alkaline treatment showed a tendency to infiltrate and grow,while tumors treated with glucosodiene molecules showed complete disappearance of cell structure and nucleolysis,supporting the validity of the theory.

甲型H1N1流感病毒感染小鼠肺共信号分子变化研究

背景甲型流感病毒传染性强,重症感染病死率高。共信号分子是参与免疫应答的重要分子。探究甲型流感病毒感染后肺病毒载量与共信号分子的变化特点及相关性可为病毒感染后的治疗提供参考依据。目的探究甲型流感病毒A/Puerto Rico/8/34(H1N1)(PR8株)感染小鼠肺病毒载量和共信号分子的变化特点及相关性。方法72只7周龄BALB/c小鼠随机分为高剂量病毒组(108 TCID50/mL,50μL/只,32只)、低剂量病毒组(104 TCID50/mL,50μL/只,32只)和对照组(PBS,50μL/只,8只),三组分别于感染后24 h、48 h、72 h和96 h每个时间点每组各处死8只、8只、2只小鼠;解剖取左肺行HE染色,实时定量逆转录PCR(qRT-PCR)检测肺病毒载量以及共信号分子CD28、CD226、ICOS、CTLA-4、TIGIT、PD-1 mRNA相对表达量。将高、低剂量病毒组所有病毒感染小鼠(n=64)肺病毒载量与共信号分子mRNA相对表达量行相关性分析。结果感染后96 h内,高剂量病毒组相比低剂量病毒组小鼠肺损伤较重,且共刺激分子CD28、CD226、ICOS mRNA相对表达量均减少(P均<0.05)。高剂量病毒组小鼠感染后24 h PD-1 mRNA相对表达量增加(P<0.01),感染后48 h CTLA-4 mRNA相对表达量增加(P<0.01)且病毒复制达到峰值。低剂量病毒组小鼠感染后72 h PD-1 mRNA相对表达量增加(P<0.05)且病毒复制达到峰值,感染后96 h CTLA-4 mRNA相对表达量增加(P<0.01)。病毒感染小鼠(n=64)肺病毒载量与PD-1 mRNA相对表达量存在正相关关系(r=0.540,P<0.001),与CD226 mRNA相对表达量存在负相关关系(r=-0.340,P=0.006)。结论甲型流感病毒感染小鼠肺组织中CTLA-4、PD-1 mRNA相对表达量增加等现象的早期出现可能提示小鼠感染的重症化。肺组织中的PD-1和CD226可能是与肺病毒载量相关的共信号分子靶点。