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.

Helminth-derived molecules: Pathogenic and pharmacopeial roles

Parasitic helminths,taxonomically comprising trematodes,cestodes,and nematodes,are multicellular invertebrates widely disseminated in nature and have afflicted humans continuously for a long time.Helminths play potent roles in the host by generating a variety of novel molecules,including some excretory/secretory products and others that are involved in intracellular material exchange and information transfer as well as the initiation or stimulation of immune and metabolic activation.The helminth-derived molecules have developed powerful and diverse immunosuppressive effects to achieve immune evasion for parasite survival and establish chronic infections.However,they also improve autoimmune and allergic inflammatory responses and promote metabolic homeostasis by promoting metabolic reprogramming of various immune functions,and then inducing alternatively activated macrophages,T helper 2 cells,and regulatory T cell-mediated immune responses.Therefore,a deeper exploration of the immunopathogenic mechanism and immune regulatory mechanisms of helminth-derived molecules exerted in the host is crucial for understanding host-helminth interactions,as well as the development of therapeutic drugs for infectious or non-infectious diseases.In this review,we focus on the properties of helminth-derived molecules to give an overview of the most recent scientific knowledge about their pathogenic and pharmacopeial roles in immune-metabolic homeostasis.

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.

Modulating perovskite crystallization and band alignment using coplanar molecules for high-performance indoor photovoltaics

The proper bandgap and exceptional photostability enable CsPbI_(3) as a potential candidate for indoor photovoltaics(IPVs),but indoor power conversion efficiency(PCE) is impeded by serious nonradiative recombination stemming from challenges in incomplete DMAPbI_(3) conversion and lattice structure distortion.Here,the coplanar symmetric structu re of hexyl sulfide(HS) is employed to functionalize the CsPbI_(3) layer for fabricating highly efficient IPVs.The hydrogen bond between HS and DMAI promotes the conversion of DMAPbI_(3) to CsPbI_(3),while the copianar symmetric structure enhances crystalline order.Simultaneously,surface sulfidation during HS-induced growth results in the in situ formation of PbS,spontaneously creating a CsPbI_(3) N-P homojunction to enhance band alignment and carrier mobility.As a result,the CsPbI_(3)&HS devices achieve an impressive indoor PCE of 39.90%(P_(in):334.6 μW cm^(-2),P_(out):133.5 μW cm^(-2)) under LED@2968 K,1062 lux,and maintain over 90% initial PCE for 800 h at ^(3)0% air ambient humidity.

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.

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.

Cooling and trapping polar molecules in an electrostatic trap

An electrostatic trap for polar molecules is proposed. Loading and trapping of polar molecules can be realized by applying different voltages to the two electrodes of the trap. For ND3 molecular beams centered at -10 m/s, a high loading efficiency of -67% can be obtained, as confirmed by our Monte Carlo simulations. The volume of our trap is as large as ,-3.6 cm3, suitable for study of the adiabatic cooling of trapped molecules. Our simulations indicate that trapped ND3 molecules can be cooled from -23.3 mK to 1.47 mK by reducing the trapping voltages on the electrodes from 50.0 kV to 1.00 kV.

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.

Role of self-assembled molecules’anchoring groups for surface defect passivation and dipole modulation in inverted perovskite solar cells

Inverted perovskite solar cells have gained prominence in industrial advancement due to their easy fabrication,low hysteresis effects,and high stability.Despite these advantages,their efficiency is currently limited by excessive defects and poor carrier transport at the perovskite-electrode interface,particularly at the buried interface between the perovskite and transparent conductive oxide(TCO).Recent efforts in the perovskite community have focused on designing novel self-assembled molecules(SAMs)to improve the quality of the buried interface.However,a notable gap remains in understanding the regulation of atomic-scale interfacial properties of SAMs between the perovskite and TCO interfaces.This understanding is crucial,particularly in terms of identifying chemically active anchoring groups.In this study,we used the star SAM([2-(9H-carbazol-9-yl)ethyl]phosphonic acid)as the base structure to investigate the defect passivation effects of eight common anchoring groups at the perovskite-TCO interface.Our findings indicate that the phosphonic and boric acid groups exhibit notable advantages.These groups fulfill three key criteria:they provide the greatest potential for defect passivation,exhibit stable adsorption with defects,and exert significant regulatory effects on interface dipoles.Ionized anchoring groups exhibit enhanced passivation capabilities for defect energy levels due to their superior Lewis base properties,which effectively neutralize local charges near defects.Among various defect types,iodine vacancies are the easiest to passivate,whereas iodine-substituted lead defects are the most challenging to passivate.Our study provides comprehensive theoretical insights and inspiration for the design of anchoring groups in SAMs,contributing to the ongoing development of more efficient inverted perovskite solar cells.

Smart emulsion system driven by light-triggered ionic liquid molecules and its application in eco-friendly water-saving dyeing

The smart emulsification and demulsification system with the light response is a useful tool in various industries,including green chemistry,catalytic reaction,pharmaceuticals,and environmental remediation.Herein,an ionic liquid crystal compound with a light triggered switch based on the azobenzene group[(4-{3-methyl-1-[3-(8-octyloxyoctyl)oxy-4-oxobutanoyl]imidazo-lium-1-yl}octyl)oxy]-N-(4-methylphenyl)benzene-1,2-diazene bromide(MOIAzo),was designed and synthesized,which could cause reversible transition between emulsification and demulsification through the light trigger.The ionic liquid has an efficient photoinduced liquefaction process,which dramatically lowers the melting point of ionic liquids from 79 to 9.2 oC.This significantly broadens the liquid state temperature of the ionic liquid crystal.The ionic liquid crystal MOIAzo exhibits both photoinduced and thermally induced nematic liquid crystal properties.The smart emulsion system was effectively employed in an eco-friendly water-saving dyeing process of cationic dyes for cationic dyeable polyester(CDP)fabrics,which used only half the amount of water compared with the conventional water bath dyeing method.After dyeing,the oil and water phases can be efficiently separated through the light irradiation,and the oil phase can be reused for the subsequent dyeing process.This novel smart emulsion dyeing method greatly reduces the water consumption and wastewater discharge.MOIAzo as a lighttriggered ionic liquid molecule opens up new dimensions in green chemistry.

Real-Time PCR Technique and Its Application in Quantification of Plant Nucleic Acid Molecules

Real-time PCR is a closed DNA amplification system that skillfully integrates biochemical, photoelectric and computer techniques. Fluorescence data acquired once per cycle provides rapid absolute quantification of initial template copy numbers as PCR products are generated. This technique significantly simplifies and accelerates the process of producing reproducible quantification of nucleic acid molecules. It not only is a sensitive, accurate and rapid quantitative method, but it also provides an easier way to calculate the absolute starting copy number of nucleic acid molecules to be tested. Together with molecular bio-techniques, like microarray, real-time PCR will play a very important role in many aspects of molecular life science such as functional gene analysis and disease molecular diagnostics. This review introduces the detailed principles and application of the real-time PCR technique, describes a recently developed system for exact quantification of AUX/IAA genes In Arabidopsis, and discusses the problems with the real-time PCR process.

Hexapole State-Selection and Beam Focus of Linear Triatomic Molecules

The state selection and beam focus of linear triatomic molecules （OCS, HCN, ClCN, BrCN and ICN） with doubling states in a hexapole electric field have been numerically realized. The method is based on a quantum mechanical treatment of the molecular Stark energy and a classical mechanical treatment for the molecular trajectory in the field. In linear molecules with doubling states, the second-order Stark effect can be neglected and the doubling states have the same value of J and M. The influences of the molecular properties, state energies, and the apparatus parameters such as molecular beam temperature and length of the hexapole, on the role of state selection and focus have been discussed. The method established here can be taken as a guide for hexapole experiment of orientation of polar molecules.

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.

Effect of Dihydrotestosterone on Costimulatory Molecules in a Mouse Model of Graves’ Disease

Objective Graves’disease is the most common autoimmune thyroid disease and its prevalence and clinical manifestations are disparate between females and males.Costimulatory molecules play an essential role in regulating autoimmune responses.The objective of this study was to determine if expression of inhibitory molecules was correlated with treatment by dihydrotestosterone(DHT)in an in vivo BALB/c mouse model of experimental autoimmune Graves’disease.Methods Female BALB/c mice were immunized three times with thyroid stimulating hormone receptor A-subunit encoded by adenovirus to establish a Graves’disease model.Three different doses of DHT or a matching placebo were administered by implantation of slow-release pellets a week before the first immunization.Four weeks after the third immunization,the mice were euthanatized,and then the spleen and thymus were removed.Total thyroxine and free thyroxine levels in serum of mice were detected using a radioimmunoassay kit.Real-time polymerase chain reaction was performed to estimate the expression of costimulatory molecules in lymphocytes from the spleen and thymus.Flow cytometry was used to analyze the percentage of CD4^+T cells in splenic lymphocytes.Quantitative data were compared with unpaired t-tests.Correlation between two variables was analyzed using Analysis of Variance.Results Treatment with DHT can dramatically reduce total thyroxine and free thyroxine levels.Higher expression of programmed death-1 was found in the spleen of Graves’disease mice receiving 5 mg of DHT treatment(0.635±0.296 vs.0.327±0.212;t=2.714,P=0.014),similarly,T-cell immunoglobulin domain and mucin domain 3(TIM-3)in both the spleen(1.004±0.338 vs.0.646±0.314;t=2.205,P=0.022)and the thymus(0.263±0.127 vs.0.120±0.076;t=3.221,P=0.004)also increased after 5 mg of DHT treatment compared with the parallel placebo model mice.Moreover,the percentage of CD4^+T cells declined in the splenic lymphocytes of Graves’disease mice treated with 5 mg of DHT(19.90%±3.985%vs.24.05%±2.587%;t=2.804,P=0.012).A significant negative association was observed between expression of TIM-3 in the spleen and serum levels of total thyroxine(r=-0.7106,P=0.014)as well as free thyroxine(r=-0.6542,P=0.029).Conclusion This study demonstrates that DHT can ameliorate experimental autoimmune Graves’disease,which may occur by up-regulating expression of programmed death-1 and TIM-3 and inhibiting development of CD4^+T cells.

Role of adhesion molecules and dendritic cells in rat hepatic/renal ischemia-reperfusion injury and anti-adhesive intervention with anti-P-selectin lectin-EGF domain monoclonal antibody

AIM: To investigate the role of P-selectin, intercellular adhesion molecule-1 (ICAM-1) and dendritic cells (DCs)in liver/kidney of rats with hepatic/renal ischemiareperfusion injury and the preventive effect of anti-Pselectin lectin-EGF domain monoclonal antibody (anti-PsLEGFmAb) on the injury.METHODS: Rat models of hepatic and renal ischemiareperfusion were established. The rats were then divided into two groups, one group treated with anti-PsL-EGFmAb(n = 20) and control treated with saline (n = 20). Both groups were subdivided into four groups according to reperfusion time (1, 3, 6 and 24 h). The sham-operated group (n = 5) served as a control group. DCs were observed by the microscopic image method, while P-selectin and ICAM-1 were analyzed by immunohistochemistry.RESULTS: P-selectin increased significantly in hepatic sinusoidal endothelial cells and renal tubular epithelial cells 1 h after ischemia-reperfusion, and the expression of ICAM-1 was up-regulated in hepatic sinusoid and renal vessels after 6 h. CD1a+CD80+DCs gradually increased in hepatic sinusoidal endothelium and renal tubules and interstitium 1 h after ischemia-reperfusion, and there was the most number of DCs in 24-h group. The localization of DCs was associated with rat hepatic/renal function.These changes became less significant in rats treated with anti-PsL-EGFmAb.CONCLUSION: DCs play an important role in immune pathogenesis of hepatic/renal ischemia-reperfusion injury.Anti-PsL-EGFmAb may regulate and inhibit local DC immigration and accumulation in liver/kidney.

Relationship between cell adhesion molecules expression and the biological behavior of gastric carcinoma

AIM: To evaluate the relationship between the expression of cell adhesion molecules (CAMs) and the biological behavior of gastric carcinoma. METHODS: Expression of syndecan-1, E-cadherin and integrin β3 were evaluated by immunohistochemical study in a total of 118 gastric carcinomas and 20 non- tumor gastric mucosas. RESULTS: The expressions of syndecan-1 and E-cadherin were significantly lower in gastric carcinoma compared to non-tumor gastric mucosa, and the low expression rates were positively correlated to the tumor invasion depth, vessel invasion, lymph node metastasis and distant metastasis (P < 0.01 in all cases). However, the expression of integrin β3 was significantly higher in gastric carcinoma compared to non-tumor gastric mucosa, and the high expression rates were positively correlated to the tumor invasion depth, vessel invasion, lymph node metastasis and distant metastasis (P < 0.01 in all cases). In addition, the three protein expressions were correlated to the tumor growth pattern (P < 0.01, P < 0.01, and P < 0.05 respectively), but not correlated to tumor differentiation (P > 0.05, P > 0.05 and P > 0.05 respectively). Positive correlation was observed between the expressions of syndecan-1 and E-cadherin, but they which were negatively correlated to the expression of integrin β3 (P < 0.01 in all cases). Univariate analysis demonstrated that the mean survival time and 5-year survival rate were lower in the cases with low expressions of syndecan-1 and E-cadherin and high expression of integrin β3 (P < 0.01, in all cases). COX multivariate analysis showed that the expression level of syndecan-1 could be an independent prognostic index of gastric carcinoma (P < 0.01), whereas E-cadherin and integrin β3 could not be independent indexes (P > 0.05, P > 0.05 respectively). CONCLUSION: The low expression of syndecan-1 and E-cadherin and the high expression of integrin β3 are significantly correlated with the invasion and metastasis of gastric carcinoma, and they are highly correlated with each other. Therefore they may serve as important prognostic markers of gastric carcinoma.

Adiabatic cooling for cold polar molecules on a chip using a controllable high-efficiency electrostatic surface trap

We propose a controllable high-efficiency electrostatic surface trap for cold polar molecules on a chip by using two insulator-embedded charged rings and a grounded conductor plate. We calculate Stark energy structure pattern of ND3 molecules in an external electric field using the method of matrix diagonalization. We analyze how the voltages that are applied to the ring electrodes affect the depth of the efficient well and the controllability of the distance between the trap center and the surface of the chip. To obtain a better understanding, we simulate the dynamical loading and trapping processes of ND3 molecules in a ｜J, KM = ｜1,-1 state by using classical Monte–Carlo method. Our study shows that the loading efficiency of our trap can reach ～ 88%. Finally, we study the adiabatic cooling of cold molecules in our surface trap by linearly lowering the potential-well depth（i.e., lowering the trapping voltage）, and find that the temperature of the trapped ND3 molecules can be adiabatically cooled from 34.5 m K to ～ 5.8 m K when the trapping voltage is reduced from-35 k V to-3 k V.

Small molecules for mesenchymal stem cell fate determination

Mesenchymal stem cells(MSCs)are adult stem cells harboring self-renewal and multilineage differentiation potential that are capable of differentiating into osteoblasts,adipocytes,or chondrocytes in vitro,and regulating the bone marrow microenvironment and adipose tissue remodeling in vivo.The process of fate determination is initiated by signaling molecules that drive MSCs into a specific lineage.Impairment of MSC fate determination leads to different bone and adipose tissue-related diseases,including aging,osteoporosis,and insulin resistance.Much progress has been made in recent years in discovering small molecules and their underlying mechanisms control the cell fate of MSCs both in vitro and in vivo.In this review,we summarize recent findings in applying small molecules to the trilineage commitment of MSCs,for instance,genistein,medicarpin,and icariin for the osteogenic cell fate commitment;isorhamnetin,risedronate,and arctigenin for pro-adipogenesis;and atractylenolides and dihydroartemisinin for chondrogenic fate determination.We highlight the underlying mechanisms,including direct regulation,epigenetic modification,and post-translational modification of signaling molecules in the AMPK,MAPK,Notch,PI3K/AKT,Hedgehog signaling pathways etc.and discuss the small molecules that are currently being studied in clinical trials.The target-based manipulation of lineage-specific commitment by small molecules offers substantial insights into bone marrow microenvironment regulation,adipose tissue homeostasis,and therapeutic strategies for MSC-related diseases.

Potential Biomolecules Capable of Assessing Risk of Osteoporotic Fracture: A Scoping Review

Osteoporosis as a systemic chronic skeletal disease is characterized by low bone mineral density and increased risk to osteoporotic fractures.Osteoporosis is prevalent in the middle-aged and elderly population,especially in the postmenopausal women.With population aging,osteoporosis has become a world-wide serious public health problem.Early recognition of the high-risk population followed by timely and efficient intervention and/or treatment is important for preventing osteoporotic fractures.In light of the high heritability and complex pathogenesis of osteoporosis,comprehensive consideration of vital biological/biochemical factors is necessary for accurate risk evaluation of fractures.For this purpose,we review recent research progress on molecules which can be applied to assess risk for osteoporotic fractures.Future integrative analyses and systematic evaluation of these molecules may facilitate developing novel methodologies and/or test strategies,i.e.,biochips,for early recognition of osteoporosis,hence contributing to preventing osteoporotic fractures.