D^(*) jet fragmentation function paradox and combination mechanism

In the framework of the perturbative Quantum Chromodynamics factorization,the production of a hadron includes contributions from fragmentation as well as combination,with the latter being of higher twist.In particular,the heavy meson production can be via the combination of a heavy quark with a light one,and the cross section can be factorized to be the convolution of the combination matrix element,the light quark distribution function,and the hard partonic sub-cross section of the heavy quark production.The partonic distribution and the combination matrix element are functions of a scaling variable,respectively,which is the momentum fraction of the corresponding quark with respect to the heavy meson.We studied the D^(*±)production in jet via combination in pp collision at the LHC.The total result is comparable with the experimental data.The combination matrix elements can be further studied in various hadron production processes.

Heterogeneous Fenton-like discoloration of methyl orange using Fe3O4/MWCNTs as catalyst： combination mechanism and affecting parameters

Multi-walled carbon nanotubes （MWCNTs） can act not only as a support for Fe3O4 nanoparticles （NPs） but also as a coworker with synergistic effect, accordingly improving the heterogeneous Fenton-like efficiency of Fe3O4 NPs. In this study, Fe3O4 NPs were in situ anchored onto MWCNTs by a moderate co-precipitation method and the as-prepared Fe3O4/MWCNTs nanocomposites were employed as the highly efficient Fenton-like catalysts. The analyses of XRD, FTIR, Raman, FESEM, TEM and HRTEM results indicated the formation of Fe3O4 crystals in Fe3O4/MWCNTs nanocomposites prepared at different conditions and the interaction between Fe3O4 NPs and MWCNTs. Over a wide pH range, the surface of modified MWCNTs possessed negative charges. Based on these results, the possible combination mechanism between Fe3O4 NPs and MWCNTs was discussed and proposed. Moreover, the effects of preparation and catalytic conditions on the Fenton-like catalytic efficiency were investigated in order to gain further insight into the heterogeneous Fenton-like reaction catalyzed by Fe3O4/MWCNTs nanocomposites.

Dynamics Analysis of Square Unit and its Combined Mechanism with Joint Clearance

The deployable mechanisms consisting of square units are widely applied in aeronautics and astronautics,biomedicine, architecture and other fields, and joint clearance in such a mechanism is unavoidable. This study is carried out to accurately investigate the dynamic property of the mechanism.Firstly,a dynamics model was built by considering the motion characteristics between elements of joint with clearances. Secondly,based on Floures contact force model and LuGre friction force model,the tangential and normal contact force of revolute pair element with clearance were calculated respectively. Finally,square combined mechanisms' dynamic analytical method considering joint clearance was investigated, and constraint renege problem was resolved by adopting Baumgarte stable constraint method in integration process.Analytical result indicates that the impact of joint clearance on dynamic property of square combined mechanism should not be neglected.

Perspective for aggregation-induced delayed fluorescence mechanism:A QM/MM study

To enhance the potential application of thermally activated delayed fluorescence(TADF)molecular materials,new functions are gradually cooperated to the TADF molecules.Aggregation induced emission can effectively solve the fluorescence quenching problem for TADF molecules in solid phase,thus aggregation-induced delayed fluorescence(AIDF)molecules were recently focused.Nevertheless,their luminescent mechanisms are not clear enough.In this work,excited state properties of an AIDF molecule DMF-BP-DMAC[reported in Chemistry-An Asian Journal 14828(2019)]are theoretically studied in tetrahydrofuran(THF)and solid phase.For consideration of surrounding environment,the polarizable continuum method(PCM)and the combined quantum mechanics and molecular mechanics(QM/MM)method were applied for solvent and solid phase,respectively.Due to the increase of the transition dipole moment and decrease of the energy difference between the first single excited state(S1)and the ground state(S0),the radiative rate is increased by about 2 orders of magnitude in solid phase.The energy dissipation of the non-radiative process from S1 to S0 is mainly contributed by low-frequency vibrational modes in solvent,and they can be effectively suppressed in aggregation,which may lead to a slow non-radiation process in solid phase.Both factors would induce enhanced luminescence efficiency of DMF-BP-DMAC in solid phase.Meanwhile,the small energy gap between S1 and triplet excited states results in high reverse intersystem crossing(RISC)rates in both solvent and solid phase.Therefore,TADF is confirmed in both phases.Aggregation significantly influences both the ISC and RISC processes and more RISC channels are involved in solid state.The enhanced delayed fluorescence should be induced by both the enhanced fluorescent efficiency and ISC efficiency.Our calculation provides a reasonable explanation for experimental measurements and helps one to better understand the luminescence mechanism of AIDF molecules.

Radix Paeoniae Alba attenuates Radix Bupleuri-induced hepatotoxicity by modulating gut microbiota to alleviate the inhibition of saikosaponins on glutathione synthetase

Radix Bupleuri(RB)is commonly used to treat depression,but it can also lead to hepatotoxicity after longterm use.In many anti-depression prescriptions,RB is often used in combination with Radix Paeoniae Alba(RPA)as an herb pair.However,whether RPA can alleviate RB-induced hepatotoxicity remain unclear.In this work,the results confirmed that RB had a dose-dependent antidepressant effect,but the optimal antidepressant dose caused hepatotoxicity.Notably,RPA effectively reversed RB-induced hepatotoxicity.Afterward,the mechanism of RB-induced hepatotoxicity was confirmed.The results showed that saikosaponin A and saikosaponin D could inhibit GSH synthase(GSS)activity in the liver,and further cause liver injury through oxidative stress and nuclear factor kappa B(NF-kB)/NOD-like receptor thermal protein domain associated protein 3(NLRP3)pathway.Furthermore,the mechanisms by which RPA attenuates RBinduced hepatotoxicity were investigated.The results demonstrated that RPA increased the abundance of intestinal bacteria with glycosidase activity,thereby promoting the conversion of saikosaponins to saikogenins in vivo.Different from saikosaponin A and saikosaponin D,which are directly combined with GSS as an inhibitor,their deglycosylation conversion products saikogenin F and saikogenin G exhibited no GSS binding activity.Based on this,RPA can alleviate the inhibitory effect of saikosaponins on GSS activity to reshape the liver redox balance and further reverse the RB-induced liver inflammatory response by the NFkB/NLRP3 pathway.In conclusion,the present study suggests that promoting the conversion of saikosaponins by modulating gut microbiota to attenuate the inhibition of GSS is the potential mechanism by which RPA prevents RB-induced hepatotoxicity.

Design of a combined magnetic negative stiffness mechanism with high linearity in a wide working region

Combining magnetic negative stiffness mechanism(NSM) in parallel with positive stiffness has been considered to be an effective approach to realize the quasi-zero stiffness(QZS) characteristic,thus resolving the contradiction between high load capacity and(ultra-) low-frequency vibration isolation capability.However,the remarkable stiffness nonlinearity of common magnetic NSMs restricts the displacement region with reliable negative stiffness,resulting in considerable nonlinear behavior,poor vibration attenuation performance,and probable instability under large amplitude vibrations.A novel combined negative stiffness mechanism(CNSM) with attractive magnetic NSM(ANSM) and repulsive magnetic NSM(RNSM) in parallel is proposed in this paper.The stiffness nonlinearities of the ANSM and RNSM in the CNSM are counteracted through the parallel configuration such that the displacement region with reliable linear stiffness of the CNSM is widened by several times.An analytical model of the CNSM is established by the magnetic charge model and verified by simulation on ANSYS Maxwell.Parametric studies are then conducted to investigate the effects of design parameters on the stiffness characteristic,providing guidelines for the optimal design of the CNSM.Meanwhile,the stiffness and nonlinearity of the CNSM are compared with that of a single ANSM and RNSM.Static and dynamic experiments are finally conducted on the proposed test prototypes.Experimental results demonstrated the validity of the established model and the effectiveness of the CNSM in generating high linear stiffness within a wide displacement region and lowering the resonance frequency.Thus,the proposed CNSM can be applied in(ultra-) low-frequency vibration isolation under large amplitude excitations.

Interference Adsorption Mechanisms of Dimethoate, Metalaxyl, Atrazine, Malathion and Prometryn in a Sediment System Containing Coexisting Pesticides/Heavy Metals Based on Fractional Factor Design（Resolution V） Assisted by 2D-QSAR

The mechanisms of adsorption of pesticides（dimethoate, metalaxyl, atrazine, malathion and prometryn） and heavy metals（Cu, Cd, Pb, Zn and Ni） coexisting in sediments, with pesticides as target pollutants, and the influence of their main effects and double-order interaction effects were studied using the experimental design module in the Minitab software package with a 2^10-3 fractional factorial design method at resolution V. The main, double-order interaction, synergistic and antagonistic effect values of pollutant concentrations influencing the adsorption of pesticides were set as dependent variables, while various quantum chemical parameters of pesticides were set as independent variables, and two-dimensional quantitative structure activity relationship（2D-QSAR） models were established by stepwise regression to reveal the adsorption mechanisms of pesticides in a composite contamination system. The main effects of pollutants concentration played the primary role in the adsorption of dimethoate and malathion（the rates of contributions were 53.54% and 56.46%, respectively）, while double-order interaction effects were primarily responsible for metalaxyl, atrazine and prometryn adsorption（the rates of contributions were 79.05%, 60.21% and 57.89%, respectively） in the pesticide/heavy metals coexisting sediment system. The synergistic effects of the main effects and double-order interaction effects of pollutants concentration（synergistic effects） played a leading role in adsorption of malathion and prometryn（the rates of contributions were 70.61% and 69.61%, respectively）, while an- tagonistic effects of the main effects and double-order interaction effects of pollutants（antagonistic effects） played a dominant role in the adsorption of dimethoate, metalaxyl and atrazine（the rates of contributions were 58.82%, 56.89% and 58.24%, respectively）. Moreover, the correlation coefficient value（R2） ranged from 0.986 to 0.999（〉0.8783） in the 2D-QSAR model, while the standard deviation（SD） ranged from 0.006 to 0.066 and the Ftest values were 22.684-199.544, indicating the model has good predictive ability and fit. The 2D-QSAR model revealed a significant correlation（P=0.05） between the main effects of pollutants concentrations on pesticides adsorption（main effect values） and the most positive hydrogen atomic charge（qa＋）, the highest occupied molecular orbital energy（EHOMO） and the dipole moment（μ）. Furthermore, double-order interaction effect values of pollutant concentrations influenced the adsorption of pesticides（double-order interaction effect values）, and the most positive atomic charge（q＋）, qH＋, and the lowest unoccupied molecular orbital energy（ELMO） were significantly correlated. The qw, EHOMO and μ of pesticides were found to be significant factors promoting pesticides adsorption, while the q＋ and ELVMO of pesticides were significant inhibiting factors（P=0,05）. Overall, this study provides a theoretical basis for further realization of combined pollution control of pesticide pollutants in complex environmental systems.

Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism

TRPML1 channel is a non-selective group-2 transient receptor potential （TRP） channel with Ca2＋ permeability. Located mainly in late endosome and lysosome of all mammalian cell types, TRPML1 is indispensable in the processes of endocytosis, membrane trafficking, and lysosome biogenesis. Mutations of TRPML1 cause a severe lysosomal storage disorder called mucolipidosis type IV （MLIV）. In the present study, we determined the cryo-electron microscopy （cryo-EM） structures of Mus musculus TRPML1 （mTRPMLI） in lipid nanodiscs and Amphipols. Two distinct states of mTRPML1 in Amphipols are added to the closed state, on which could represent two different confirmations upon activation and regulation. The polycystin-mucolipin domain （PMD） may sense the luminal/extracellular stimuli and undergo a ＂move upward＂ motion during endocytosis, thus triggering the overall conformational change in TRPMLI. Based on the structural comparisons, we propose TRPML1 is regulated by pH, Ca2＋, and phosphoinosi- tides in a combined manner so as to accommodate the dynamic endocytosis process.

Effect of Fuzheng Kang'ai recipe combined with gefitinib on lung cancer A549 cells and its mechanism research

Objective To observe the effect of Fuzheng Kang’ai Recipe(FKR)combined with gefitinib on the proliferation and apoptosis of lung cancer A549 cells,and to study its potential synergistic mechanish with gefitinib.Methods The effects of FKR(0.211,0.316,0.474,0.711,1.067,1.600,2.400,3.600 mg/mL)combined with