Photoinduced Floquet higher-order Weyl semimetal in C_(6) symmetric Dirac semimetals

Topological Dirac semimetals are a parent state from which other exotic topological phases of matter, such as Weyl semimetals and topological insulators, can emerge. In this study, we investigate a Dirac semimetal possessing sixfold rotational symmetry and hosting higher-order topological hinge Fermi arc states, which is irradiated by circularly polarized light. Our findings reveal that circularly polarized light splits each Dirac node into a pair of Weyl nodes due to the breaking of time-reversal symmetry, resulting in the realization of the Weyl semimetal phase. This Weyl semimetal phase exhibits rich boundary states, including two-dimensional surface Fermi arc states and hinge Fermi arc states confined to six hinges.Furthermore, by adjusting the incident direction of the circularly polarized light, we can control the degree of tilt of the resulting Weyl cones, enabling the realization of different types of Weyl semimetals.

Pipeline thickness estimation using the dispersion of higher-order SH guided waves

Thickness measurement plays an important role in the monitoring of pipeline corrosion damage. However, the requirement for prior knowledge of the shear wave velocity in the pipeline material for popular ultrasonic thickness measurement limits its widespread application. This paper proposes a method that utilizes cylindrical shear horizontal(SH) guided waves to estimate pipeline thickness without prior knowledge of shear wave velocity. The inversion formulas are derived from the dispersion of higher-order modes with the high-frequency approximation. The waveform of the example problems is simulated using the real-axis integral method. The data points on the dispersion curves are processed in the frequency domain using the wave-number method. These extracted data are then substituted into the derived formulas. The results verify that employing higher-order SH guided waves for the evaluation of thickness and shear wave velocity yields less than1% error. This method can be applied to both metallic and non-metallic pipelines, thus opening new possibilities for health monitoring of pipeline structures.

Higher-order expansions of powered extremes of logarithmic general error distribution

In this paper,Let M_(n)denote the maximum of logarithmic general error distribution with parameter v≥1.Higher-order expansions for distributions of powered extremes M_(n)^(p)are derived under an optimal choice of normalizing constants.It is shown that M_(n)^(p),when v=1,converges to the Frechet extreme value distribution at the rate of 1/n,and if v>1 then M_(n)^(p)converges to the Gumbel extreme value distribution at the rate of(loglogn)^(2)=(log n)^(1-1/v).

Organic solar cells with D18 or derivatives offer efficiency over 19%

In recent years,organic solar cells(OSCs)have garnered significant attention due to their distinctive attributes,such as flexibility,lightweight,and solution processing,which position them as alternatives for next-generation solar technologies[1−5].Thanks to breakthroughs in materials development,the power conversion efficiency(PCE)for single-junction OSCs has already surpassed 19%[6−13].The development of photoactive materials is pivotal in enhancing the PCEs,and several reviews have provided insights into materials design[14−18].Herein,we highlight single-junction OSCs based on D18 and its derivatives[19,20].

Fullerenes and derivatives as electrocatalysts: Promises and challenges

Carbon-based metal-free nanomaterials are promising alternatives to precious metals as electrocatalysts of key energy storage and conversion technologies.Of paramount significance are the establishment of design principles by understanding the catalytic mechanisms and identifying the active sites.Distinct from sp2-conjugated graphene and carbon nanotube,fullerene possesses unique characteristics that are growingly being discovered and exploited by the electrocatalysis community.For instance,the well-defined atomic and molecular structures,the good electron affinity to tune the electronic structures of other substances,the intermolecular self-assembly into superlattices,and the on-demand chemical modification have endowed fullerene with incomparable advantages as electrocatalysts that are otherwise not applicable to other carbon ma-terials.As increasing studies are being reported on this intriguing topic,it is necessary to provide a state-of-the-art overview of the recent progress.This review takes such an initiative by summarizing the promises and challenges in the electrocatalytic applications of fullerene and its derivatives.The content is structured according to the composition and structure of fullerene,including intact fullerene(e.g.,fullerene composite and superlattices)and fullerene derivatives(e.g.,doped,endohedral,and disintegrated fullerene).The synthesis,characterization,catalytic mechanisms,and deficiencies of these fullerene-based materials are explicitly elaborated.We conclude it by sharing our perspectives on the key aspects that future efforts shall consider.

Opinion consensus incorporating higher-order interactions in individual-collective networks

In the current information society, the dissemination mechanisms and evolution laws of individual or collective opinions and their behaviors are the research hot topics in the field of opinion dynamics. First, in this paper, a two-layer network consisting of an individual-opinion layer and a collective-opinion layer is constructed, and a dissemination model of opinions incorporating higher-order interactions(i.e. OIHOI dissemination model) is proposed. Furthermore, the dynamic equations of opinion dissemination for both individuals and groups are presented. Using Lyapunov's first method,two equilibrium points, including the negative consensus point and positive consensus point, and the dynamic equations obtained for opinion dissemination, are analyzed theoretically. In addition, for individual opinions and collective opinions,some conditions for reaching negative consensus and positive consensus as well as the theoretical expression for the dissemination threshold are put forward. Numerical simulations are carried to verify the feasibility and effectiveness of the proposed theoretical results, as well as the influence of the intra-structure, inter-connections, and higher-order interactions on the dissemination and evolution of individual opinions. The main results are as follows.(i) When the intra-structure of the collective-opinion layer meets certain characteristics, then a negative or positive consensus is easier to reach for individuals.(ii) Both negative consensus and positive consensus perform best in mixed type of inter-connections in the two-layer network.(iii) Higher-order interactions can quickly eliminate differences in individual opinions, thereby enabling individuals to reach consensus faster.

Structures and magnetism of dinuclear Co complexes based on imine derivatives

This study presents the synthesis of three dinuclear cobalt complexes based on three imine derivatives:bis-[4-(2-pyridylmethyleneamino)-phenyl]thioether(L1),bis-[4-(2-pyridylmethyleneamino)-phenyl]ether(L2),and bis-[4-(2-pyridylmethyleneamino)-phenyl]methane(L3).Single-crystal X-ray diffraction analysis reveals that the complexes[Co_(2)(L1)3](ClO_(4))4·2CH_(3)CN(1),[Co_(2)(L2)3](ClO_(4))4·2CH_(3)OH(2),and[Co_(2)(L3)3](ClO_(4))4·2CH_(3)OH(3)all exhibit a dinuclear structure.Magnetic test results show that complex 3 exhibited irreversible SCO behavior induced by loss of solvent at 300 K,with the average Co-N bond length increasing from 0.2139(3)to 0.2153(3)nm.Meanwhile,the desolvated complex 3 exhibited paramagnetic behavior similar to that of complexes 1 and 2.Variable-temperature UV-Vis spectroscopic studies also indicate that complex 3 undergoes a solvent-loss-induced spin-state transition.CCDC:2347354,1(120 K);2347355,2(120 K);2347356,3(120 K);2347357,3(400 K).

Time-Domain Higher-Order Boundary Element Method for Simulating High Forward-Speed Ship Motions in Waves

The hydrodynamic performance of a high forward-speed ship in obliquely propagating waves is numerically examined to assess both free motions and wave field in comparison with a low forward-speed ship.This numerical model is based on the time-domain potential flow theory and higher-order boundary element method,where an analytical expression is completely expanded to determine the base-unsteady coupling flow imposed on the moving condition of the ship.The ship in the numerical model may possess different advancing speeds,i.e.stationary,low speed,and high speed.The role of the water depth,wave height,wave period,and incident wave angle is analyzed by means of the accurate numerical model.It is found that the resonant motions of the high forward-speed ship are triggered by comparison with the stationary one.More specifically,a higher forward speed generates a V-shaped wave region with a larger elevation,which induces stronger resonant motions corresponding to larger wave periods.The shoaling effect is adverse to the motion of the low-speed ship,but is beneficial to the resonant motion of the high-speed ship.When waves obliquely propagate toward the ship,the V-shaped wave region would be broken due to the coupling effect between roll and pitch motions.It is also demonstrated that the maximum heave motion occurs in beam seas for stationary cases but occurs in head waves for high speeds.However,the variation of the pitch motion with period is hardly affected by wave incident angles.

Discovery and structure-activity relationship studies of novel tetrahydro-β-carboline derivatives as apoptosis initiators for treating bacterial infections

Developing and excavating new agrochemicals with highly active and safe is an important tactic for protecting crop health and food safety.In this paper,to discover the new bactericide candidates,we designed,prepared a new type of1,2,3,4-tetrahydro-β-carboline(THC)derivatives and evaluated the in vitro and in vivo bioactivities against the Xanthomonas oryzae pv.oryzae(Xoo),Xanthomonas axonopodis pv.citri(Xac),and Pseudomonas syringae pv.actinidiae(Psa).The in vitro bioassay results exhibited that most title molecules possessed good activity toward the three plant pathogenic bacteria,the compound A17 showed the most active against Xoo and Xac with EC50 values of 7.27 and 4.89 mg mL^(-1)respectively,and compound A8 exhibited the best inhibitory activity against Psa with EC50value of 4.87 mg mL^(-1).Pot experiments showed that compound A17 exhibited excellent in vivo antibacterial activities to manage rice bacterial leaf blight and citrus bacterial canker,with protective efficiencies of 52.67 and 79.79%at 200 mgmL^(-1),respectively.Meanwhile,compound A8 showed good control efficiency(84.31%)against kiwifruit bacterial canker at 200 mg mL^(-1).Antibacterial mechanism suggested that these compounds could interfere with the balance of the redox system,damage the cell membrane,and induce the apoptosis of Xoo cells.Taken together,our study revealed that tetrahydro-β-carboline derivatives could be a promising candidate model for novel broadspectrum bactericides.

High-Value-Added Utilization of Turpentine:Screening of Anti-Influenza Virus Agents fromβ-Pinene Derivatives

Turpentine is a renewable and resourceful forest product.The deep processing and utilization of turpentine,particularly its primary componentβ-pinene,has garnered widespread attention.This study aimed to synthesize 40 derivatives ofβ-pinene,including nopinone,3-cyanopyridines of nopinone,myrtanyl acid,myrtanyl acylthioureas,and myrtanyl amides.We assessed the antiviral activities of theseβ-pinene derivatives against influenza virus A/Puerto Rico/8/34(H1N1)using the 3-(4,5-dimetylthiazol-2-yl)-2,5-diphenyltetrazolium bromide method.Theβ-pinene derivatives were used before and after cellular infection with the influenza virus to evaluate their preventive and therapeutic effects against the H1N1 virus.The results showed that only compound 10o exhibited a preventive effect against the H1N1 virus with a half-maximal inhibitory concentration(IC50)value of 47.6μmol/L.Among the compounds,4e,4i,and 4l demonstrated therapeutic effects against cellular infection,with compound 4e displaying the most potent therapeutic effect(IC50=17.5μmol/L),comparable to the positive control ribavirin.These findings indicated that certainβ-pinene derivatives exhibited in vitro antiviral activity against the H1N1 influenza A virus,warranting further investigation as potential anti-influenza agents.

Identification of key genes regulating the synthesis of quercetin derivatives in Rosa roxburghii through integrated transcriptomics and metabolomics

Rosa roxburghii fruit is rich in flavonoids, but little is known about their biosynthetic pathways. In this study, we employed transcriptomics and metabolomics to study changes related to the flavonoids at five different stages of R. roxburghii fruit development. Flavonoids and the genes related to their biosynthesis were found to undergo significant changes in abundance across different developmental stages, and numerous quercetin derivatives were identified. We found three gene expression modules that were significantly associated with the abundances of the different flavonoids in R. roxburghii and identified three structural UDP-glycosyltransferase genes directly involved in the synthesis of quercetin derivatives within these modules. In addition, we found that RrBEH4, RrLBD1 and RrPIF8could significantly increase the expression of downstream quercetin derivative biosynthesis genes. Taken together,these results provide new insights into the metabolism of flavonoids and the accumulation of quercetin derivatives in R. roxburghii.

Tailored multifunctional hydrazine derivatives for efficient printable hole-conductive-free mesoscopic perovskite solar cells via enhancing defect passivation

The low-cost and easy large-scale fabrication advantages of printable mesoscopic perovskite solar cells(p-MPSCs)are overshadowed by their limited photovoltaic conversion efficiency(PCE).Here,we introduce the hydrazide derivative of 4-Hydroxybenzoylhydrazine(4-HBH)to improve the PCE of p-MPSCs by inducing enhanced defect passivation.Both carbonyl and hydrazine groups in hydrazide groups present strong interaction with perovskite.The hydroxyl group,as an electron donor group,increases the electron cloud density of the hydrazide group in 4-HBH under the conjugation of the benzene ring,and thus enhances its interaction with perovskite.Additionally,the hydroxy group itself interacts with perovskite and passivates defects synergistically.The hydrazine agents can also reduce I2and suppress the loss of iodine in perovskite films,which inhibits the formation of iodine-related defects.Consequently,p-MPSCs with 4-HBH achieve a high PCE of 19.21%,and present well improved stability.

Preparation of kakkatin derivatives and their anti-tumor activity

BACKGROUND Modern pharmacological studies have confirmed that plant-derived compounds from Puerariae flos(PF)has significant biological activities against liver damage,tumors and inflammation.Kakkatin is an isoflavone polyphenolic compound isolated from PF flower.However,the effect of kakkatin and its derivatives on anti-tumor has not been well explored.AIM To design and synthesize a kakkatin derivative[6-(hept-6-yn-1-yloxy)-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one(HK)]to explore its anti-tumor biological activity.METHODS Hept-6-yn-1-yl ethanesulfonate was introduced to replace hydrogen at the hydroxyl position of kakkatin phenol,and the derivative of kakkatin was prepared;the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide was used to detect cell viability,a clone formation assay was adopted to detect cell proliferation,apoptosis,necrosis,and cell cycles were analyzed by Annexin V/propidium iodide staining and flow cytometry.Cell migration and invasion ability were evaluated by cell scratch assay and transwell assay.The potential mechanism of HK on hepatocellular carcinoma(HCC)SMMC-7721 cells was explored through network pharmacology and molecular docking,and finally real-time PCR assays was used to verify the potential targets and evaluate the biological activity of HK.RESULTS Compared with kakkatin,the modified HK did not significantly increase the inhibitory activity of gastric cancer MGC803 cells,but the inhibitory activity of HCC SMMC-7721 cells was increased by about 30 times,with an IC50 value of 2.5μM,and the tumor inhibition effect was better than cisplatin,which could significantly inhibit the cloning,invasion and metastasis of HCC SMMC-7721 cells,and induce apoptosis and G2/M cycle arrest.Its mechanism of action is mainly related to the upregulation of PDE3B and NFKB1 target proteins in the cAMP pathway.CONCLUSION HK have a significant inhibitory effect on HCC SMMC-7721 cells,and the targets of their action may be PDE3B and NFKB1 proteins in the cAMP pathway,making it a good lead drug for the treatment of HCC.

Study on Antitumor Activity of Piperidine Derivatives

[Objectives]This study was conducted to investigate the effects of piperidine derivatives on the proliferation and apoptosis of tumor cells(Hele).[Methods]The target end product(piperidine derivative)was synthesized through a series of organic reactions.The MTT assay was adopted to detect the effect of piperidine derivative on the proliferation activity of Hele cells.The ROS fluorescence probe method was used to detect the changes of reactive oxygen species.The JC-1 method was applied to detect the changes of MMP in Hele cells.Flow cytometry was adopted to detect the apoptosis of Hele cells.[Results]The cell survival rates were 70.84%,65.46%and 54.48%when the drug concentration was 100,110 and 120μmol/L,respectively.When the drug concentration increased to 120μmol/L,the cell survival rate decreased by nearly half.The fluorescence intensity of active oxygen in the control group was 1,and when the drug concentrations were 100,110 and 120μmol/L,the fluorescence intensity of active oxygen was,respectively,1.315,1.478 and 1.677,which were higher than that in the control group.The red/green fluorescence intensity of the MMP control group was 1.819,and that of drug groups was,respectively,1.643,1.164 and 0.665,which were lower than that of the control group.The apoptosis rates were 10.79%,22.91%and 38.54%at the drug concentrations of 100,110 and 120μmol/L,respectively,showing a concentration dependent effect.The results showed that the piperidine derivative could inhibit the proliferation of Hele cells and induce apoptosis,which was positively correlated with the concentration.[Conclusions]This study provides theoretical basis and reference for the anti-tumor research of piperidine.

Sepsis Prediction Using CNNBDLSTM and Temporal Derivatives Feature Extraction in the IoT Medical Environment

Background:Sepsis,a potentially fatal inflammatory disease triggered by infection,carries significant healthimplications worldwide.Timely detection is crucial as sepsis can rapidly escalate if left undetected.Recentadvancements in deep learning(DL)offer powerful tools to address this challenge.Aim:Thus,this study proposeda hybrid CNNBDLSTM,a combination of a convolutional neural network(CNN)with a bi-directional long shorttermmemory(BDLSTM)model to predict sepsis onset.Implementing the proposed model provides a robustframework that capitalizes on the complementary strengths of both architectures,resulting in more accurate andtimelier predictions.Method:The sepsis prediction method proposed here utilizes temporal feature extraction todelineate six distinct time frames before the onset of sepsis.These time frames adhere to the sepsis-3 standardrequirement,which incorporates 12-h observation windows preceding sepsis onset.All models were trained usingthe Medical Information Mart for Intensive Care III(MIMIC-III)dataset,which sourced 61,522 patients with 40clinical variables obtained from the IoT medical environment.The confusion matrix,the area under the receiveroperating characteristic curve(AUCROC)curve,the accuracy,the precision,the F1-score,and the recall weredeployed to evaluate themodels.Result:The CNNBDLSTMmodel demonstrated superior performance comparedto the benchmark and other models,achieving an AUCROC of 99.74%and an accuracy of 99.15%one hour beforesepsis onset.These results indicate that the CNNBDLSTM model is highly effective in predicting sepsis onset,particularly within a close proximity of one hour.Implication:The results could assist practitioners in increasingthe potential survival of the patient one hour before sepsis onset.

Numerical Treatments for Crossover Cancer Model of Hybrid Variable-Order Fractional Derivatives

In this paper,two crossover hybrid variable-order derivatives of the cancer model are developed.Grünwald-Letnikov approximation is used to approximate the hybrid fractional and variable-order fractional operators.The existence,uniqueness,and stability of the proposed model are discussed.Adams Bashfourth’s fifth-step method with a hybrid variable-order fractional operator is developed to study the proposed models.Comparative studies with generalized fifth-order Runge-Kutta method are given.Numerical examples and comparative studies to verify the applicability of the used methods and to demonstrate the simplicity of these approximations are presented.We have showcased the efficiency of the proposed method and garnered robust empirical support for our theoretical findings.

Avoiding the Use of Lagrange Multipliers. II. Constrained Extrema of Functionals and the Evaluation of Constrained Derivatives

A method for determining the extrema of a real-valued and differentiable function for which its dependent variables are subject to constraints and that avoided the use of Lagrange multipliers was previously presented (Corti and Fariello, Op. Res. Forum 2 (2021) 59). The method made use of projection matrices, and a corresponding Gram-Schmidt orthogonalization process, to identify the constrained extrema. Furthermore, information about the second-derivatives of the given function with constraints was generated, from which the nature of the constrained extrema could be determined, again without knowledge of the Lagrange multipliers. Here, the method is extended to the case of functional derivatives with constraints. In addition, constrained first-order and second-order derivatives of the function are generated, in which the derivatives with respect to a given variable are obtained and, concomitantly, the effect of the variations of the remaining chosen set of dependent variables are strictly accounted for. These constrained derivatives are valid not only at the extrema points, and also provide another equivalent route for the determination of the constrained extrema and their nature.

A Study of a Moral Dilemma Stories Teaching Model Focusing on the Development of Higher-Order Thinking --"Synthetic polymers" as an example

Cultivating students'higher-order thinking is one of the important goals of modern education,and innovative teaching model is an effective way to achieve this goal.Aiming at the inadequacy of the existing moral dilemma stories approach in the transformation of knowledge and behavior,this research constructs a new Project Based Learning-Ethical Dilemma Stories(PBL-EDS)Teaching Model applicable to China's secondary education stage based on the innovative features of the moral dilemma stories approach on the core competencies,taking the chemistry subject as an example to carry out practice,and puts forward suggestions for the implementation of the teaching model.Chemistry as an example to carry out the practice,and suggestions are made for the implementation of the teaching model.

The anti-tumor and mechanism of the benzoisoselenazolone derivatives on the human lung cancer adenocarcinoma A549 cells

Background:In this research,we investigated the anti-cancer effect and the related mechanism of 2-[2-(4-chlorobenzamidomethylthio)-1,3,4-thiadiazol-5-yl]-1,2-benziselenazol-3(2H)-one compound(CTBO)and 2-[2-(4-nitrobenzamidomethylthio)-1,3,4-thiadiazol-5-yl]-1,2-benziselenazol-3(2H)-one compound(NTBO),which we synthesized in our lab previously.Methods:We applied the human lung cancer adenocarcinoma A549 cells to investigate the anti-tumor effect of CTBO and NTBO.The following methods were used in the research,including methylthiazolyldiphenyl-tetrazolium bromide assay,one-step terminal-deoxynucleotidyl transferase mediated nick end labeling,transcriptome sequencing analysis,quantitative reverse transcription polymerase chain reaction and western blot.Results:The results showed that both CTBO and NTBO significantly inhibited the A549 cells proliferation and induced the A549 cells apoptosis.The transcriptome sequencing analysis results illustrated that the two derivatives might exert the apoptotic effects through mitogen-activated protein kinase and tumor necrosis factor signaling pathways activation.Further,the western blot results suggested that CTBO and NTBO exerted anti-cancer effect through different molecular mechanisms.Conclusion:The results above provided fundamental research evidence for the further application of benziselenazolone derivatives in clinical.

Optimality conditions in set optimization employing higher-order radial derivatives

There are two approaches of defining the solutions of a set-valued optimization problem： vector criterion and set criterion. This note is devoted to higher-order optimality conditions using both criteria of solutions for a constrained set-valued optimization problem in terms of higher-order radial derivatives. In the case of vector criterion, some optimality conditions are derived for isolated （weak） minimizers. With set criterion, necessary and sufficient optimality conditions are established for minimal solutions relative to lower set-order relation.