Nickel-catalyzed borylation of aryl nonaflates with B2pin2 could be realized,which proceeded effectively by means of C—O bond functionalization to afford a wide variety of valuable arylboronates in moderate to excell...Nickel-catalyzed borylation of aryl nonaflates with B2pin2 could be realized,which proceeded effectively by means of C—O bond functionalization to afford a wide variety of valuable arylboronates in moderate to excellent yields with good functionality compatibility.In addition,the gram-scale synthesis and the application of the approach in the late-stage elaboration of aryl nonaflate derived from pterostilbene could also be achieved.展开更多
Given the broad applicability of carbazole structural moieties in materials science and medicinal chemistry,significant efforts have been devoted to developing efficient synthetic catalytic methodologies to access thi...Given the broad applicability of carbazole structural moieties in materials science and medicinal chemistry,significant efforts have been devoted to developing efficient synthetic catalytic methodologies to access this valuable scaffold.Catalyzed direct Csp^(2)-H functionalization provides an effective and costefficient approach to synthesizing carbazoles from simple and readily available starting materials,ensuring a promising path characterized by excellent atom and step economy.This review highlights the substantial progress made in the last 10 years in advancing catalytic Csp^(2)-H functionalization techniques for synthesizing carbazoles.展开更多
Multivitamins were widely used health supplements that replenished essential nutrients in the human body.Despite their popularity,the impact of multivitamins on the cognitive function of older adults remained unclear ...Multivitamins were widely used health supplements that replenished essential nutrients in the human body.Despite their popularity,the impact of multivitamins on the cognitive function of older adults remained unclear and contentious.This study offered a comprehensive review and meta-analysis of research published until June 2024,analyzing the effects of multivitamins on various cognitive functions in individuals aged 65 and older.We included ten randomized controlled trials encompassing 13,600 participants from multiple databases.These studies evaluated the impact of multivitamins on reasoning,memory,learning,visual perception,idea production,cognitive speed,psychomotor abilities,and higher cognitive functions.Our meta-analysis revealed that multivitamins significantly enhanced delayed free recall (standardized mean difference(SMD)=0.09,95%confidence interval(CI)=[0.05,0.13],P<0.0001).However,they had no substantial effects on immediate free recall(SMD=0.85,95%CI=[-0.18,1.90],P=0.11),idea production(SMD=0.00,95%CI=[-0.04,0.03],P=0.86),or cognitive speed(SMD=0.34,95%CI=[-0.07,0.74],P=0.11).Thus,while multivitamins facilitated delayed free recall,they did not significantly improve other cognitive functions in older adults.展开更多
Background:Aging is a key risk factor for human health,causing damage to the brain and liver tissues.Accumulating evidence indicates that oxidative stress is a critical driver of the aging process.Shuangshen tablet(SS...Background:Aging is a key risk factor for human health,causing damage to the brain and liver tissues.Accumulating evidence indicates that oxidative stress is a critical driver of the aging process.Shuangshen tablet(SST),a functional food formulated with Ginseng Radix et Rhizoma and Apostichopus japonicus as main ingredients,possesses potential antioxidant and anti-aging properties.Thus,this study aimed to evaluate the anti-aging effects of SST using a D-galactose-induced aging model.Methods:The formula of SST was optimized via single-factor experiments and response surface methodology.Chemical components of SST were identified by UHPLC-Q-Exactive Orbitrap HRMS,and their in vitro antioxidant activity was determined.D-galactose-induced aging mice were intervened with SST,followed by detection of serum oxidative stress and pro-inflammatory factor levels,as well as the activities of superoxide dismutase(SOD),catalase(CAT),glutathione peroxidase(GSH-Px),and malondialdehyde(MDA)content in brain and liver tissues.Hematoxylin and eosin(HE)staining was used to observe brain and liver histopathological changes.Mechanistic studies were conducted to analyze the protein expression levels of Nrf2-HO-1 pathway-related proteins,phosphorylated PI3K(p-PI3K),and phosphorylated AKT(p-AKT).Acute and subacute toxicity tests were performed to evaluate the safety of SST.Results:A total of 46 active components were identified from SST,including ketones,terpenes,phenylpropanoids,and organic acids.SST intervention significantly regulated serum oxidative stress and pro-inflammatory factor levels in aging mice:it reduced MDA content in brain and liver tissues,increased SOD,CAT,and GSH-Px activities,and decreased serum tumor necrosis factor-alpha(TNF-α),interleukin-6(IL-6),and interleukin-1β(IL-1β)levels.HE staining showed that SST alleviated D-galactose-induced brain and liver damage.Mechanistically,SST mitigated oxidative damage by activating the Nrf2-HO-1 pathway and upregulating the protein expression of p-PI3K and p-AKT.Acute and subacute toxicity tests confirmed the safety of SST.Conclusion:SST can effectively delay the D-galactose-induced aging process by improving the oxidative stress signaling pathway,providing a theoretical basis for the development of antioxidant functional foods.展开更多
Background Selenium(Se)is an essential soil mineral that can be incorporated into animal feedstuffs.Because of a lack of soil Se in some regions,organic or inorganic supplementation strategies must be implemented to p...Background Selenium(Se)is an essential soil mineral that can be incorporated into animal feedstuffs.Because of a lack of soil Se in some regions,organic or inorganic supplementation strategies must be implemented to prevent deficiencies and promote optimal ovine health.Therefore,the objectives of this study were to assess how inorganic versus organic Se supplementation influenced ewe Se status and immune function during late gestation and postpartum.Dorset Rideau ewes(n=110)were fed a Se deficient diet from gestation d 110 through postpartum d 49 and received one of four daily oral Se treatments diluted in 5 mL of sugar water:0 mg Se,0.3 mg inorganic Se,0.3 mg organic Se,and 0.6 mg organic Se.Throughout the trial,the ewes received various immune challenges,including intramuscular immunizations with a novel antigen(ovalbumin;OVA)on trial d 0 and 10,an intradermal OVA challenge on d 20,and a lipopolysaccharide(LPS)endotoxin challenge on trial d 49.Results The organic Se treatment groups had higher serum Se concentrations on most trial days compared to the 0.3 mg inorganic and control groups(P<0.05).No significant treatment differences were found for the dermal hypersensitivity response to OVA,anti-OVA antibody response,glutathione peroxidase activity,cytokine response,cortisol response,or rectal temperature(P>0.05).However,4 h post-LPS injection,the serum albumin concentration was significantly lower in the 0.3 mg inorganic group compared to both organic Se groups,potentially indicating a higher degree of inflammation in the ewes supplemented with the inorganic Se.Conclusions The results of this study indicate that organic Se supplementation can promote a higher Se status in ewes over time,but Se supplementation during this study period did not affect tested immunological parameters.This lack of difference in immune responsiveness between groups may be due to an absence of true serum Se deficiencies in the Se-deficient group or the levels of Se supplementation being insufficient to significantly improve immunocompetence.展开更多
Background:Health benefits have been reported for many physical activity(PA)interventions for improving fundamental movement skills(FMS)and cognitive function(CF),but the most effective type of PA interventions for em...Background:Health benefits have been reported for many physical activity(PA)interventions for improving fundamental movement skills(FMS)and cognitive function(CF),but the most effective type of PA interventions for emhancing FMS and CF in early childhood remain unknown.Thus,the study aimed to determine the effects of PA interventions in enhancing FMS and CF among young children and to establish the optimal types of PA interventions.Methods:Six electronic databases(PubMed,OVID,SPORTDiscus,Scopus,Web of Science,and Cochrane)were searched for studies from inception to March 17,2024.Randomized controlled trials(RCTs)were included in this study if they reported outcomes related to FMS,CF,or both associated with PA interventions.Effect sizes were calculated and performed as Hedges'g.The hierarchy of competing interventions was established using the surface under the cumulative ranking curve(SUCRA).Risk of bias was independently assessed using the Cochrane Riskof-Bias 2.Results:This analysis included 38 studies with 5237 young children,with sample sizes ranging from 32 to 897 participants.The types of PA interventions analyzed included active play/free play/unstructured PA(AP),general structured PA(GSPA),FMS-targeted PA programs(FMSprograms),cognitively-engaging PA programs(CPA),multilevel PA interventions(MPA),and exergaming.PA interventions had a large,pooled effect size for total FMS(g=0.96;95%CI:0.45-1.46;p<0.01;I^(2)=94%).For CF,a small-to-moderate pooled effect size was found(g=0.39;95%CI:0.18-0.60;p<0.01;I^(2)=88%).PA interventions longer than 3 months showed fewer benefits for FMS(p<0.01).The network meta-analysis showed that FMS-programs(standardized mean difference((SMD)=1.55,95%CI:0.98-2.11,SUCRA=98.3%)and GSPA(SMD=0.94,95%CI:0.05-1.85,SUCRA=69.8%)significantly improved total FMS compared to AP.For locomotor skills(LMS),exergaming ranked highest(SUCRA=79.3%),followed by FMS-programs(75.9%)and GSPA(61.6%).However,despite its top ranking,exergaming's effect estimate was not statistically significant(SMD=1.38,95%CI:-0.08 to 2.85).For object control skills(OCS),exergaming again ranked highest(SUCRA=91.9%)and showed the largest significant effect(SMD=2.38,95%CI:0.96-3.80),followed by FMS-programs(SUCRA=78.5%)and GSPA(SUCRA=53.7%).FMS-programs,GSPA,MPA,and UC also significantly improved OCS compared to AP.While no significant differences were observed across PA interventions for most CF domains,exergaming had a significant positive effect on working memory(SMD=1.41,95%CI:0.07-2.75).The certainty of evidence varied from low to moderate.Conclusion:These findings emphasize the importance of PA interventions in improving FMS and CF in early childhood.FMS-programs and GSPA appear to be the most effective approaches for enhancing total FMS,while exergaming showed the highest ranking for LMS and OCS,with a significant impact on OCS but uncertainty in LMS improvements.Additionally,exergaming had a positive effect on working memory,suggesting its potential cognitive benefits.展开更多
This study investigates the effects of ocean boundaries on modal shapes in very-low-frequency(VLF,1–10 Hz)sound propagation through the deep ocean.Utilizing a normal mode solution formulated in terms of parabolic cyl...This study investigates the effects of ocean boundaries on modal shapes in very-low-frequency(VLF,1–10 Hz)sound propagation through the deep ocean.Utilizing a normal mode solution formulated in terms of parabolic cylinder functions(PCF),we demonstrate that boundary interactions induce a phase change reduction below-πat frequencies of several hertz.This reduction,in turn,forces a key transition in the solution,shifting the order of the PCF from integer to non-integer values.Analysis of the characteristic shape of the PCF versus its order reveals that these boundary-influenced modes exhibit an energy shift toward deeper regions and a weakened axial convergence of the underwater sound field.展开更多
The purpose is to explore the effects of Exercise rehabilitation(ER)on bone mineral density(BMD)of the knee,muscle strength(MS),and physical function(PF)after ACL rupture.Finally,A total of 58 patients were randomized...The purpose is to explore the effects of Exercise rehabilitation(ER)on bone mineral density(BMD)of the knee,muscle strength(MS),and physical function(PF)after ACL rupture.Finally,A total of 58 patients were randomized into 2 groups(Control Group[CON]:conventional treatment,male=16,female=13,age=[31.63±8.01]years;Exercise rehabilitation group[ER]:6-week ER on CON basis,male=17,female=12,age=[31.26±7.07]years).At baseline and 6 weeks,the knee BMD was measured using DEXA,MS and PF measures were recorded by isokinetic strength test,IKDC,Lysholm,and VAS score.T-tests,analysis of variance(ANOVA),and Mann-Whitney tests were used for comparisons.The BMD outcomes:after a 6-week period,the BMD of the CON([1.47±0.24]g·cm^(-2))was significantly lower than that of the ER([1.65±0.37]g·cm^(-2))at lateral condyle of femur(LCF)(p=0.041).MS outcomes:at 6 weeks,the relative peak torque(RPT)of the quadriceps and hamstrings during concentric contractions in ER group were significantly higher than that in CON group(p<0.001,p=0.017).Similarly,during eccentric contractions in ER group,the RPT of the quadriceps and the H/Q ratio revealed significant variations from the CON group(p=0.033,p=0.043).PF outcomes:the IKDC,Lysholm,and VAS scores of the ER group were significantly improved compared to the CON group(p<0.001,p<0.001,p=0.002).The conclusion is that 6 weeks of ER intervention for patients with ACL rupture can effectively delay the decline of BMD in the LCF of the knee joint,and enhance the restoration of MS and PF.This provides guidance for clinical rehabilitation.展开更多
Background:Rats are often used to prepare skin defect models.However,the skin defect sizes of the models prepared by researchers are different,and the lack of consensus on the critical-size defect makes it difficult t...Background:Rats are often used to prepare skin defect models.However,the skin defect sizes of the models prepared by researchers are different,and the lack of consensus on the critical-size defect makes it difficult to compare their research results.Methods:The time for wound closure was evaluated and recorded through gross observation.The regression equation between the healing time and the diameter of skin defect was established,which can be used to predict the healing time for a certain skin defect size in rats.Histochemical and immunohistochemical staining was used to observe the regeneration and reconstruction of skin appendages,and the functional skin repair was quantitatively scored.Results:The critical-size defect of rats was determined based on the maximum capacity of structural skin repair,and the functional skin repair was quantitatively scored based on the regeneration and reconstruction of skin appendages.The allowable range of critical-size skin defect of SD rats lies between 45 and 50 mm in diameter.The concept of structural repair and the category of functional repair of injured skin are put forward.The regression equation between the structural skin healing time and defect diameters is established.Conclusion:The allowable range of skin critical-size defect of SD rats lies between 45 and 50 mm in diameter.The regression equation between the structural skin healing time and defect diameters can be used to predict the healing time for a certain skin defect size in rats.展开更多
Bisphenol F(BPF)and Bisphenol S(BPS)are widely used substitutes for Bisphenol A(BPA).However,growing evidence indicated that BPF and BPS may induce physiological effects similar to those of BPA.Furthermore,chemical ma...Bisphenol F(BPF)and Bisphenol S(BPS)are widely used substitutes for Bisphenol A(BPA).However,growing evidence indicated that BPF and BPS may induce physiological effects similar to those of BPA.Furthermore,chemical management and control is primarily focus on the risk assessment of individual compounds,often overlooking the implications of chemical mixtures.We hypothesize that exposure to a mixture of BPA and its substitutes will enhance their endocrine-disruptive effects,disrupt steroid hormone homeostasis,and further impair reproductive system functionality.In the animal study,both female and male mice were exposed to 333μg/kg of BPA,BPF,BPS,their mixture(333μg/kg(MIXL),and 1 mg/kg(MIXH))via gavage daily for four weeks.The study demonstrated that bisphenols(BPs)affected the expression of genes related to steroid hormone synthesis.The MIXL group of female mice exhibited an increasing trend in estradiol(E2)levels and a decreasing trend in progesterone(Pg)and testosterone(TT)levels.Additionally,follicular development was impacted,resulting in an increased number of atretic follicles.In contrast,a significant increase in E2 concentration and disruption of testicular morphology were observed in the MIXH group of male mice,accompanied by a decline in sperm quality.Importantly,these results were corroborated by a population-based investigation.Collectively,the animal experiments indicate that mixed exposure to BPs disrupts hormone levels and adversely affects reproductive function,while epidemiological evidence further establishes correlative links between bisphenols and hormone levels.These findings underscore the necessity of considering chemical mixtures during testing and risk assessment.展开更多
The development of non-corrosive and efficient anode interlayers(AILs)is pivotal for advancing highperformance organic optoelectronic devices.Conventional materials such as PEDOT:PSS,though widely adopted,suffer from ...The development of non-corrosive and efficient anode interlayers(AILs)is pivotal for advancing highperformance organic optoelectronic devices.Conventional materials such as PEDOT:PSS,though widely adopted,suffer from significant limitations including acidity,corrosion,and poor device stability.Herein,we propose a novel molecular design strategy by introducing p-πconjugation into a p Hneutral conjugated polyelectrolyte(CPE)(PIDT-T)to simultaneously enhance work function(WF)and electrical conductivity.Through doping with polyoxometalate(POM),the optimized PIDT-T:POM achieves a high WF of 4.85 e V,conductivity of 7.25×10^(-3)S cm^(-1),and>98%optical transmittance.In organic solar cells(OSCs),PIDT-T:POM delivers a power conversion efficiency(PCE)of 19.04%,outperforming PEDOT:PSS-based counterparts(18.52%)and representing one of the highest PCEs reported for devices utilizing non-acidic AILs.Moreover,organic light-emitting diodes(OLEDs)incorporating PIDTT:POM exhibit a remarkable reduction in turn-on voltage(from 5.8 to 3.0 V)and enhanced luminous efficiency,demonstrating its dual functionality for both OSCs and OLEDs.These findings establish p-πconjugated polyelectrolytes as a powerful molecular platform for next-generation,high-efficiency,and corrosion-free organic optoelectronic applications.展开更多
BACKGROUND The therapeutic role of neurodynamic mobilization in improving lower limb function in patients with mild post-traumatic knee osteoarthritis remains poorly understood.AIM To further elucidate the role of neu...BACKGROUND The therapeutic role of neurodynamic mobilization in improving lower limb function in patients with mild post-traumatic knee osteoarthritis remains poorly understood.AIM To further elucidate the role of neurodynamic mobilization in facilitating knee joint functional recovery.METHODS Thirty-two patients with post-traumatic knee osteoarthritis treated at Chonghua Hospital of Traditional Chinese Medicine(Guilin)from March 2024 to August 2025 were randomly assigned to a control group(n=16)or an intervention group(n=16).Both groups received eight weeks of conventional treatment;and the intervention group additionally underwent neurodynamic mobilization.Outcomes including pain assessed by the visual analogue scale,active range of motion,Lysholm score,stork stand test,single hop test,and Y-balance test were assessed before and after the intervention.RESULTS There were no significant differences between the two groups in baseline characteristics,including gender,age,body mass index,or surgical side(P>0.05).Two-way repeated-measures analysis of variance demonstrated significant time×group interaction effects for the visual analogue scale score(F=13.364,P<0.05),Lysholm knee score(F=20.385,P<0.05),stork stand test(F=103.756,P<0.05),and Y-balance test score(F=8.089,P<0.05).CONCLUSION Neurodynamic mobilization effectively reduces pain,improves knee function,and enhances lower limb balance in patients with mild post-traumatic knee osteoarthritis.展开更多
This study investigated the suppressive effects of Armoracia rusticana(AR)and its three main glucosinolates on both free and bound heterocyclic amines(HAs),along with their mechanisms of free radical quenching using d...This study investigated the suppressive effects of Armoracia rusticana(AR)and its three main glucosinolates on both free and bound heterocyclic amines(HAs),along with their mechanisms of free radical quenching using density functional theory.Fish patties were supplemented with varying concentrations of AR(0.5%‒1.5%)and glucosinolates(0.005%‒0.015%),showing a dose-dependent inhibition of HAs and concurrent elimination of free radicals and HAs intermediates.Glucobrassicin demonstrated the highest reactivity,which was verified by frontier orbit analysis and conceptual density functional parameters,consistent with experimental findings.Furthermore,the O-H bond connected to the sulfur atom of glucobrassicin possessed the smallest bond dissociation enthalpy(BDE)value,which indicated that this particular hydrogen atom is most susceptible to react with free radicals.Overall,AR and its glucosinolates,especially glucobrassicin,show promise as natural additives for improving food safety and quality.展开更多
When micro/nano-scale gradient coatings are subject to large thermal gradients or high heat fluxes,the spatial size effect cannot be ignored.It is important to understand how the size effect influences the thermal fra...When micro/nano-scale gradient coatings are subject to large thermal gradients or high heat fluxes,the spatial size effect cannot be ignored.It is important to understand how the size effect influences the thermal fracture behavior of functionally graded coating/substrate structures.This study aims at analyzing the transient thermal fracture behavior of collinear interface cracks in functionally graded coating/substrate structures based on the nonlocal dual-phase-lag heat conduction model.By means of integral transform techniques,the mixed boundary problem is transformed into a set of singular integral equations,which are solved by the Chebyshev polynomials.The effects of the nonlocal parameter,coating thickness,crack spacing,and non-homogeneous parameters on the temperature and stress intensity factors(SIFs)are examined.The numerical results show that these parameters play an essential role in controlling the thermal fracture behavior of the structures,especially at micro/nano-scales.展开更多
The rational design of high-performance CO_(2)adsorbents remains a critical challenge in addressing global carbon emissions,with metal-organic frameworks(MOFs)emerging as promising candidates due to their tunable pore...The rational design of high-performance CO_(2)adsorbents remains a critical challenge in addressing global carbon emissions,with metal-organic frameworks(MOFs)emerging as promising candidates due to their tunable pore environments.However,the lack of systematic guidelines for functional group selection has hindered their practical implementation in carbon capture applications.Here,this gap was addressed by developing a comprehensive design framework through high-throughput computational screening.Through construction of a topology-directed database of 4797,integrating 10 metal centers with 144 functionalized ligands(18 ligands modified by–NH_(2),–NO_(2),–CH_(3),–CF_(3),–SH_(2),–SO_(2),–OH,and–OLi)across 36 topologies,the fundamental structure–property relationships governing CO_(2)capture performance was established.Multi-metric evaluation reveals that–NO_(2),–SO_(2),and–OLi dramatically enhance CO_(2)selectivity over CH_4/N_(2)via selectivity(S_(ads)),working capacity(ΔN),adsorbent performance score(APS),sorbent selection parameter(S_(sp)),and renewability R.Specially,ΔN rises from 2.34(pristine)to 5.91–7.94 mmol g^(-1)and S_(ads)surges from 24.94/40.36 to 121.11/176.87(–NO_(2)),149.94/215.54(–SO_(2)),and 58.64/267.44(–OLi).Besides,the critical trade-off between adsorption strength and renewability demonstrates that enhanced performance comes at the cost of reduced renewability,where stronger CO_(2)affinity(isosteric heat of-29.15,-29.96,and-30.09 for–NO_(2),–SO_(2),and–OLi)compromises renewability(R reduced by -50%).To resolve this trade-off,a novel energy efficiency(η)metric was introduced,which holistically evaluates both adsorption performance(S_(ads),ΔN,APS,S_(sp),and R)and energy inputs(desorption heat,pressure-swing energy,net loss).This leads to the identification of–SO_(2)as the optimal functional group that balances exceptional CO_(2)capture(η=6.17/12.78 for CO_(2)over CH_4/N_(2)),surpassing the second higher of 4.74/8.80 in–CF_(3)and 0.99/2.18 in non-functionalized counterparts.Adopting high-throughput computational screening methods,this work provides both fundamental insights into host–vip interactions in functionalized MOFs and a practical framework for designing next-generation adsorbents,bridging the gap between materials discovery and process engineering considerations in carbon capture technologies.展开更多
The accurate mechanical analysis of thick-walled pressure vessel structures composed of advanced materials,such as hyperelastic and functionally graded materials(FGMs),is critical for ensuring their safety and optimiz...The accurate mechanical analysis of thick-walled pressure vessel structures composed of advanced materials,such as hyperelastic and functionally graded materials(FGMs),is critical for ensuring their safety and optimizing their design.However,conventional numerical methods can face challenges with the non-linearities inherent in hyperelasticity and the complex spatial variations in FGMs.This paper presents a novel hybrid numerical approach combining Physics-Informed Neural Networks(PINNs)with Finite Element Method(FEM)derived data for the robust analysis of thick-walled,axisymmetric,heterogeneous,hyperelastic pressure vessels with elliptical geometries.A PINN framework incorporating neo-Hookean constitutive relations is developed in MATLAB.To enhance training efficiency and accuracy,the PINN’s loss function is augmented with displacement data obtained from high-fidelity FEM simulations performed in ANSYS.The methodology is rigorously validated by comparing PINN-predicted displacement and von Mises stress fields against ANSYS benchmarks for various scenarios of FGMconfigurations(with material properties varying according to a power law)subjected to internal and external pressurization.The results demonstrate excellent agreement between the proposed hybrid PINN-FEMapproach and conventional FEMsolutions across all test cases,accurately capturing complex deformation patterns and stress concentrations.This study highlights the potential of data-augmented PINNs as an effective and accurate computational tool for tackling complex solid mechanics problems involving non-linearmaterials and significant heterogeneity,offering a promising avenue for future research in engineering design and analysis.展开更多
As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency...As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.展开更多
Traumatic brain injury involves complex pathophysiological mechanisms,among which oxidative stress significantly contributes to the occurrence of secondary injury.In this study,we evaluated hypidone hydrochloride(YL-0...Traumatic brain injury involves complex pathophysiological mechanisms,among which oxidative stress significantly contributes to the occurrence of secondary injury.In this study,we evaluated hypidone hydrochloride(YL-0919),a self-developed antidepressant with selective sigma-1 receptor agonist properties,and its associated mechanisms and targets in traumatic brain injury.Behavioral experiments to assess functional deficits were followed by assessment of neuronal damage through histological analyses and examination of blood-brain barrier permeability and brain edema.Next,we investigated the antioxidative effects of YL-0919 by assessing the levels of traditional markers of oxidative stress in vivo in mice and in vitro in HT22 cells.Finally,the targeted action of YL-0919 was verified by employing a sigma-1 receptor antagonist(BD-1047).Our findings demonstrated that YL-0919 markedly improved deficits in motor function and spatial cognition on day 3 post traumatic brain injury,while also decreasing neuronal mortality and reversing blood-brain barrier disruption and brain edema.Furthermore,YL-0919 effectively combated oxidative stress both in vivo and in vitro.The protective effects of YL-0919 were partially inhibited by BD-1047.These results indicated that YL-0919 relieved impairments in motor and spatial cognition by restraining oxidative stress,a neuroprotective effect that was partially reversed by the sigma-1 receptor antagonist BD-1047.YL-0919 may have potential as a new treatment for traumatic brain injury.展开更多
Impairments on body function,activities of daily living(ADL)and cognition are common after stroke.Eccentric resistance training(ERT)may be implemented to improve them.The primary objectives were to evaluate whether ER...Impairments on body function,activities of daily living(ADL)and cognition are common after stroke.Eccentric resistance training(ERT)may be implemented to improve them.The primary objectives were to evaluate whether ERT improves body function,ADL and cognition after stroke.The secondary objectives were to evaluate whether ERT improves strength,gait,quality of life,and self-perceived health.Seven electronic databases were searched:Cochrane Central Register of Controlled Trials,Cochrane Stroke Group Trials Register,PubMed,Epistemonikos,Embase,SPORTDiscus,and WHO International Clinical Trials Registry Platform.Last search was run in December 2023,including studies since 2012.Selection criteria were studies with stroke participants of both sexes,aged 18 or more,with an intervention based on ERT.Accepted languages were English,Spanish or French.First search was done in pairs.Authors removed duplicate studies and those which did not meet inclusion criteria through title and abstracts.Finally,all authors,independently,screened the final search results and extracted data.Of 68 records identified,15 were eligible and 6 were finally included(with moderate risk of bias),analyzing 159 participants.Body function(4 interventions,n=84),gait(4 interventions,n=115)and strength(3 interventions,n?78)showed significantly better results when ERT was performed.Meta-analysis could not be done because of the few studies and their heterogeneity.This review provided low-moderate quality evidence suggesting that ERT might be effective at improving body function,strength,and gait after stroke.Besides,no harm was documented,and it was well-accepted.展开更多
BACKGROUND Mild cognitive impairment(MCI)is a high-risk precursor to Alzheimer’s disease characterized by declining memory or other progressive cognitive functions without compromising daily living abilities.AIM To i...BACKGROUND Mild cognitive impairment(MCI)is a high-risk precursor to Alzheimer’s disease characterized by declining memory or other progressive cognitive functions without compromising daily living abilities.AIM To investigate the efficacy of repetitive transcranial magnetic stimulation(rTMS)in patients with MCI.METHODS This retrospective analysis involved 180 patients with MCI who were admitted to The First Hospital of Shanxi Medical University from January 2021 to June 2023.Participants were allocated into the research(n=98,receiving rTMS)and control groups(n=82,receiving sham stimulation).Memory tests,cognitive function assessments,event-related potential–P300 tests,and electroencephalogram(EEG)examinations were conducted pre-treatment and post-treatment.Further,memory quotient(MQ),cognitive function scores,and EEG grading results were compared,along with adverse reaction incidences.RESULTS Pre-treatment MQ scores,long-term and short-term memory,as well as immediate memory scores,demonstrated no notable differences between the groups.Post-treatment,the research group exhibited significant increases in MQ scores,long-term memory,and short-term memory compared to baseline(P<0.05),with these improvements being statistically superior to those in the control group.However,immediate memory scores exhibited no significant change(P>0.05).Further,the research group demonstrated statistically better post-treatment scores on the Revised Wechsler Memory Scale than the control group.Furthermore,post-treatment P300 latency and amplitude improved significantly in the research group,surpassing the control group.EEG grading in the research group improved,and the incidence of adverse reactions was significantly lower than in the control group.CONCLUSION Patients with MCI receiving rTMS therapy demonstrated improved memory and cognitive functions and EEG grading and exhibited high safety with fewer adverse reactions.展开更多
文摘Nickel-catalyzed borylation of aryl nonaflates with B2pin2 could be realized,which proceeded effectively by means of C—O bond functionalization to afford a wide variety of valuable arylboronates in moderate to excellent yields with good functionality compatibility.In addition,the gram-scale synthesis and the application of the approach in the late-stage elaboration of aryl nonaflate derived from pterostilbene could also be achieved.
基金support and funding by the European Union-Next Generation EU under the Italian Ministry of University and Research (MUR) National Innovation Ecosystem (No.ECS00000041-VITALITY and also “Ecosistema TECH4YOU-(Spoke 3-Goal 3.5)MUR is thanked for PRIN-PNRR 2022 project "P2022XKWH7-Circular Waste+3 种基金The University of Perugia is acknowledged for financial support to the university project “Fondo Ricerca di Ateneo,edizione 2022”The National Ph D program in Catalysis coordinated by the University of Perugia is also thankedthe financial supports of key research and development and technology transfer projects of Inner Mongolia Autonomous Region (No.2025KJHZ0008)major special projects of science and technology of Ordos (No.2022EEDSKJZDZX003)。
文摘Given the broad applicability of carbazole structural moieties in materials science and medicinal chemistry,significant efforts have been devoted to developing efficient synthetic catalytic methodologies to access this valuable scaffold.Catalyzed direct Csp^(2)-H functionalization provides an effective and costefficient approach to synthesizing carbazoles from simple and readily available starting materials,ensuring a promising path characterized by excellent atom and step economy.This review highlights the substantial progress made in the last 10 years in advancing catalytic Csp^(2)-H functionalization techniques for synthesizing carbazoles.
基金supported by the Fundamental Research Funds for the Central Universities(2042023gf0003)Hubei Provincial Natural Science Foundation of China(2024AFD126)National Key Research and Development Program of China(2023YFF1104404).
文摘Multivitamins were widely used health supplements that replenished essential nutrients in the human body.Despite their popularity,the impact of multivitamins on the cognitive function of older adults remained unclear and contentious.This study offered a comprehensive review and meta-analysis of research published until June 2024,analyzing the effects of multivitamins on various cognitive functions in individuals aged 65 and older.We included ten randomized controlled trials encompassing 13,600 participants from multiple databases.These studies evaluated the impact of multivitamins on reasoning,memory,learning,visual perception,idea production,cognitive speed,psychomotor abilities,and higher cognitive functions.Our meta-analysis revealed that multivitamins significantly enhanced delayed free recall (standardized mean difference(SMD)=0.09,95%confidence interval(CI)=[0.05,0.13],P<0.0001).However,they had no substantial effects on immediate free recall(SMD=0.85,95%CI=[-0.18,1.90],P=0.11),idea production(SMD=0.00,95%CI=[-0.04,0.03],P=0.86),or cognitive speed(SMD=0.34,95%CI=[-0.07,0.74],P=0.11).Thus,while multivitamins facilitated delayed free recall,they did not significantly improve other cognitive functions in older adults.
基金funded by Jilin Provincial Science and Technology Development Plan Project-Research and Development of Shuangshen Tablets(20210401123YY)Jilin Provincial Science and Technology Development Plan Project-Jilin Province High-quality and Authentic Medicinal Materials(Ginseng)Science and Technology Demonstration Base+(Ji'an Dadi Ginseng Industry Co.,Ltd.Ginseng Planting Base)(20220401114YY)Scientific Research Fund of Hebei Normal University of Science&Technology(2024YB019).
文摘Background:Aging is a key risk factor for human health,causing damage to the brain and liver tissues.Accumulating evidence indicates that oxidative stress is a critical driver of the aging process.Shuangshen tablet(SST),a functional food formulated with Ginseng Radix et Rhizoma and Apostichopus japonicus as main ingredients,possesses potential antioxidant and anti-aging properties.Thus,this study aimed to evaluate the anti-aging effects of SST using a D-galactose-induced aging model.Methods:The formula of SST was optimized via single-factor experiments and response surface methodology.Chemical components of SST were identified by UHPLC-Q-Exactive Orbitrap HRMS,and their in vitro antioxidant activity was determined.D-galactose-induced aging mice were intervened with SST,followed by detection of serum oxidative stress and pro-inflammatory factor levels,as well as the activities of superoxide dismutase(SOD),catalase(CAT),glutathione peroxidase(GSH-Px),and malondialdehyde(MDA)content in brain and liver tissues.Hematoxylin and eosin(HE)staining was used to observe brain and liver histopathological changes.Mechanistic studies were conducted to analyze the protein expression levels of Nrf2-HO-1 pathway-related proteins,phosphorylated PI3K(p-PI3K),and phosphorylated AKT(p-AKT).Acute and subacute toxicity tests were performed to evaluate the safety of SST.Results:A total of 46 active components were identified from SST,including ketones,terpenes,phenylpropanoids,and organic acids.SST intervention significantly regulated serum oxidative stress and pro-inflammatory factor levels in aging mice:it reduced MDA content in brain and liver tissues,increased SOD,CAT,and GSH-Px activities,and decreased serum tumor necrosis factor-alpha(TNF-α),interleukin-6(IL-6),and interleukin-1β(IL-1β)levels.HE staining showed that SST alleviated D-galactose-induced brain and liver damage.Mechanistically,SST mitigated oxidative damage by activating the Nrf2-HO-1 pathway and upregulating the protein expression of p-PI3K and p-AKT.Acute and subacute toxicity tests confirmed the safety of SST.Conclusion:SST can effectively delay the D-galactose-induced aging process by improving the oxidative stress signaling pathway,providing a theoretical basis for the development of antioxidant functional foods.
基金Ontario Ministry of Agriculture,Food and Agribusiness(OMAFA)Natural Sciences and Engineering Research Council of Canada(NSERC)+1 种基金AdisseoOntario Sheep Farmers。
文摘Background Selenium(Se)is an essential soil mineral that can be incorporated into animal feedstuffs.Because of a lack of soil Se in some regions,organic or inorganic supplementation strategies must be implemented to prevent deficiencies and promote optimal ovine health.Therefore,the objectives of this study were to assess how inorganic versus organic Se supplementation influenced ewe Se status and immune function during late gestation and postpartum.Dorset Rideau ewes(n=110)were fed a Se deficient diet from gestation d 110 through postpartum d 49 and received one of four daily oral Se treatments diluted in 5 mL of sugar water:0 mg Se,0.3 mg inorganic Se,0.3 mg organic Se,and 0.6 mg organic Se.Throughout the trial,the ewes received various immune challenges,including intramuscular immunizations with a novel antigen(ovalbumin;OVA)on trial d 0 and 10,an intradermal OVA challenge on d 20,and a lipopolysaccharide(LPS)endotoxin challenge on trial d 49.Results The organic Se treatment groups had higher serum Se concentrations on most trial days compared to the 0.3 mg inorganic and control groups(P<0.05).No significant treatment differences were found for the dermal hypersensitivity response to OVA,anti-OVA antibody response,glutathione peroxidase activity,cytokine response,cortisol response,or rectal temperature(P>0.05).However,4 h post-LPS injection,the serum albumin concentration was significantly lower in the 0.3 mg inorganic group compared to both organic Se groups,potentially indicating a higher degree of inflammation in the ewes supplemented with the inorganic Se.Conclusions The results of this study indicate that organic Se supplementation can promote a higher Se status in ewes over time,but Se supplementation during this study period did not affect tested immunological parameters.This lack of difference in immune responsiveness between groups may be due to an absence of true serum Se deficiencies in the Se-deficient group or the levels of Se supplementation being insufficient to significantly improve immunocompetence.
文摘Background:Health benefits have been reported for many physical activity(PA)interventions for improving fundamental movement skills(FMS)and cognitive function(CF),but the most effective type of PA interventions for emhancing FMS and CF in early childhood remain unknown.Thus,the study aimed to determine the effects of PA interventions in enhancing FMS and CF among young children and to establish the optimal types of PA interventions.Methods:Six electronic databases(PubMed,OVID,SPORTDiscus,Scopus,Web of Science,and Cochrane)were searched for studies from inception to March 17,2024.Randomized controlled trials(RCTs)were included in this study if they reported outcomes related to FMS,CF,or both associated with PA interventions.Effect sizes were calculated and performed as Hedges'g.The hierarchy of competing interventions was established using the surface under the cumulative ranking curve(SUCRA).Risk of bias was independently assessed using the Cochrane Riskof-Bias 2.Results:This analysis included 38 studies with 5237 young children,with sample sizes ranging from 32 to 897 participants.The types of PA interventions analyzed included active play/free play/unstructured PA(AP),general structured PA(GSPA),FMS-targeted PA programs(FMSprograms),cognitively-engaging PA programs(CPA),multilevel PA interventions(MPA),and exergaming.PA interventions had a large,pooled effect size for total FMS(g=0.96;95%CI:0.45-1.46;p<0.01;I^(2)=94%).For CF,a small-to-moderate pooled effect size was found(g=0.39;95%CI:0.18-0.60;p<0.01;I^(2)=88%).PA interventions longer than 3 months showed fewer benefits for FMS(p<0.01).The network meta-analysis showed that FMS-programs(standardized mean difference((SMD)=1.55,95%CI:0.98-2.11,SUCRA=98.3%)and GSPA(SMD=0.94,95%CI:0.05-1.85,SUCRA=69.8%)significantly improved total FMS compared to AP.For locomotor skills(LMS),exergaming ranked highest(SUCRA=79.3%),followed by FMS-programs(75.9%)and GSPA(61.6%).However,despite its top ranking,exergaming's effect estimate was not statistically significant(SMD=1.38,95%CI:-0.08 to 2.85).For object control skills(OCS),exergaming again ranked highest(SUCRA=91.9%)and showed the largest significant effect(SMD=2.38,95%CI:0.96-3.80),followed by FMS-programs(SUCRA=78.5%)and GSPA(SUCRA=53.7%).FMS-programs,GSPA,MPA,and UC also significantly improved OCS compared to AP.While no significant differences were observed across PA interventions for most CF domains,exergaming had a significant positive effect on working memory(SMD=1.41,95%CI:0.07-2.75).The certainty of evidence varied from low to moderate.Conclusion:These findings emphasize the importance of PA interventions in improving FMS and CF in early childhood.FMS-programs and GSPA appear to be the most effective approaches for enhancing total FMS,while exergaming showed the highest ranking for LMS and OCS,with a significant impact on OCS but uncertainty in LMS improvements.Additionally,exergaming had a positive effect on working memory,suggesting its potential cognitive benefits.
基金Project supported by the National Natural Science Foundation of China(Grant No.12204128)。
文摘This study investigates the effects of ocean boundaries on modal shapes in very-low-frequency(VLF,1–10 Hz)sound propagation through the deep ocean.Utilizing a normal mode solution formulated in terms of parabolic cylinder functions(PCF),we demonstrate that boundary interactions induce a phase change reduction below-πat frequencies of several hertz.This reduction,in turn,forces a key transition in the solution,shifting the order of the PCF from integer to non-integer values.Analysis of the characteristic shape of the PCF versus its order reveals that these boundary-influenced modes exhibit an energy shift toward deeper regions and a weakened axial convergence of the underwater sound field.
基金provided by the Joint Fund for Regional Innovation and Development(U23A20471)Beijing Natural Science Foundation(L242161,L241073,and 7232354)。
文摘The purpose is to explore the effects of Exercise rehabilitation(ER)on bone mineral density(BMD)of the knee,muscle strength(MS),and physical function(PF)after ACL rupture.Finally,A total of 58 patients were randomized into 2 groups(Control Group[CON]:conventional treatment,male=16,female=13,age=[31.63±8.01]years;Exercise rehabilitation group[ER]:6-week ER on CON basis,male=17,female=12,age=[31.26±7.07]years).At baseline and 6 weeks,the knee BMD was measured using DEXA,MS and PF measures were recorded by isokinetic strength test,IKDC,Lysholm,and VAS score.T-tests,analysis of variance(ANOVA),and Mann-Whitney tests were used for comparisons.The BMD outcomes:after a 6-week period,the BMD of the CON([1.47±0.24]g·cm^(-2))was significantly lower than that of the ER([1.65±0.37]g·cm^(-2))at lateral condyle of femur(LCF)(p=0.041).MS outcomes:at 6 weeks,the relative peak torque(RPT)of the quadriceps and hamstrings during concentric contractions in ER group were significantly higher than that in CON group(p<0.001,p=0.017).Similarly,during eccentric contractions in ER group,the RPT of the quadriceps and the H/Q ratio revealed significant variations from the CON group(p=0.033,p=0.043).PF outcomes:the IKDC,Lysholm,and VAS scores of the ER group were significantly improved compared to the CON group(p<0.001,p<0.001,p=0.002).The conclusion is that 6 weeks of ER intervention for patients with ACL rupture can effectively delay the decline of BMD in the LCF of the knee joint,and enhance the restoration of MS and PF.This provides guidance for clinical rehabilitation.
基金National Key Research and Development Program of China,Grant/Award Number:2023YFC2410403。
文摘Background:Rats are often used to prepare skin defect models.However,the skin defect sizes of the models prepared by researchers are different,and the lack of consensus on the critical-size defect makes it difficult to compare their research results.Methods:The time for wound closure was evaluated and recorded through gross observation.The regression equation between the healing time and the diameter of skin defect was established,which can be used to predict the healing time for a certain skin defect size in rats.Histochemical and immunohistochemical staining was used to observe the regeneration and reconstruction of skin appendages,and the functional skin repair was quantitatively scored.Results:The critical-size defect of rats was determined based on the maximum capacity of structural skin repair,and the functional skin repair was quantitatively scored based on the regeneration and reconstruction of skin appendages.The allowable range of critical-size skin defect of SD rats lies between 45 and 50 mm in diameter.The concept of structural repair and the category of functional repair of injured skin are put forward.The regression equation between the structural skin healing time and defect diameters is established.Conclusion:The allowable range of skin critical-size defect of SD rats lies between 45 and 50 mm in diameter.The regression equation between the structural skin healing time and defect diameters can be used to predict the healing time for a certain skin defect size in rats.
基金supported by the National Science Foundation of China(Nos.U23A20103,22476120 and 22106098)Shanxi Province Higher Education"Billion Project"Science and Technology Guidance Project,Youth Science and Technology Research Foundation of Shanxi Province(No.20210302124298)+2 种基金the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi(No.2020L0174)the Startup Foundation for Doctors of Shanxi Province(No.SD1917)the Startup Foundation for Doctors of Shanxi Medical University(No.XD1917).
文摘Bisphenol F(BPF)and Bisphenol S(BPS)are widely used substitutes for Bisphenol A(BPA).However,growing evidence indicated that BPF and BPS may induce physiological effects similar to those of BPA.Furthermore,chemical management and control is primarily focus on the risk assessment of individual compounds,often overlooking the implications of chemical mixtures.We hypothesize that exposure to a mixture of BPA and its substitutes will enhance their endocrine-disruptive effects,disrupt steroid hormone homeostasis,and further impair reproductive system functionality.In the animal study,both female and male mice were exposed to 333μg/kg of BPA,BPF,BPS,their mixture(333μg/kg(MIXL),and 1 mg/kg(MIXH))via gavage daily for four weeks.The study demonstrated that bisphenols(BPs)affected the expression of genes related to steroid hormone synthesis.The MIXL group of female mice exhibited an increasing trend in estradiol(E2)levels and a decreasing trend in progesterone(Pg)and testosterone(TT)levels.Additionally,follicular development was impacted,resulting in an increased number of atretic follicles.In contrast,a significant increase in E2 concentration and disruption of testicular morphology were observed in the MIXH group of male mice,accompanied by a decline in sperm quality.Importantly,these results were corroborated by a population-based investigation.Collectively,the animal experiments indicate that mixed exposure to BPs disrupts hormone levels and adversely affects reproductive function,while epidemiological evidence further establishes correlative links between bisphenols and hormone levels.These findings underscore the necessity of considering chemical mixtures during testing and risk assessment.
基金the financial support from the Beijing Municipal Science&Technology Commission(2242013)。
文摘The development of non-corrosive and efficient anode interlayers(AILs)is pivotal for advancing highperformance organic optoelectronic devices.Conventional materials such as PEDOT:PSS,though widely adopted,suffer from significant limitations including acidity,corrosion,and poor device stability.Herein,we propose a novel molecular design strategy by introducing p-πconjugation into a p Hneutral conjugated polyelectrolyte(CPE)(PIDT-T)to simultaneously enhance work function(WF)and electrical conductivity.Through doping with polyoxometalate(POM),the optimized PIDT-T:POM achieves a high WF of 4.85 e V,conductivity of 7.25×10^(-3)S cm^(-1),and>98%optical transmittance.In organic solar cells(OSCs),PIDT-T:POM delivers a power conversion efficiency(PCE)of 19.04%,outperforming PEDOT:PSS-based counterparts(18.52%)and representing one of the highest PCEs reported for devices utilizing non-acidic AILs.Moreover,organic light-emitting diodes(OLEDs)incorporating PIDTT:POM exhibit a remarkable reduction in turn-on voltage(from 5.8 to 3.0 V)and enhanced luminous efficiency,demonstrating its dual functionality for both OSCs and OLEDs.These findings establish p-πconjugated polyelectrolytes as a powerful molecular platform for next-generation,high-efficiency,and corrosion-free organic optoelectronic applications.
基金Supported by the Central Guided Local Science and Technology Development Fund Project for Science and Technology Innovation Base Construction,No.Guike ZY24212046National Natural Science Foundation of China,No.U22A2092+3 种基金Guangxi Education Science“the 14th Five-Year Plan”2024 Special Project“Research on Steam Education Practice in Rehabilitation Engineering”,No.2024ZJY304the Research Basic Ability Enhancement Program for Young and Middle-aged Teachers of Guangxi,No.2025KY2255the Innovation Project of GUET Graduate Education,No.2025YCXB010Natural Science Research Project of Guilin Life and Health Career Technical College,No.2025GKKY04.
文摘BACKGROUND The therapeutic role of neurodynamic mobilization in improving lower limb function in patients with mild post-traumatic knee osteoarthritis remains poorly understood.AIM To further elucidate the role of neurodynamic mobilization in facilitating knee joint functional recovery.METHODS Thirty-two patients with post-traumatic knee osteoarthritis treated at Chonghua Hospital of Traditional Chinese Medicine(Guilin)from March 2024 to August 2025 were randomly assigned to a control group(n=16)or an intervention group(n=16).Both groups received eight weeks of conventional treatment;and the intervention group additionally underwent neurodynamic mobilization.Outcomes including pain assessed by the visual analogue scale,active range of motion,Lysholm score,stork stand test,single hop test,and Y-balance test were assessed before and after the intervention.RESULTS There were no significant differences between the two groups in baseline characteristics,including gender,age,body mass index,or surgical side(P>0.05).Two-way repeated-measures analysis of variance demonstrated significant time×group interaction effects for the visual analogue scale score(F=13.364,P<0.05),Lysholm knee score(F=20.385,P<0.05),stork stand test(F=103.756,P<0.05),and Y-balance test score(F=8.089,P<0.05).CONCLUSION Neurodynamic mobilization effectively reduces pain,improves knee function,and enhances lower limb balance in patients with mild post-traumatic knee osteoarthritis.
基金supported by the National Natural Science Foundation of China(32302258,32172317)the Science and Technology Innovation Program of Hunan Province(2024RC3185)+1 种基金Hunan Provincial Natural Science Foundation of China(2023JJ40317)Changsha Municipal Natural Science Foundation(kq2202223).
文摘This study investigated the suppressive effects of Armoracia rusticana(AR)and its three main glucosinolates on both free and bound heterocyclic amines(HAs),along with their mechanisms of free radical quenching using density functional theory.Fish patties were supplemented with varying concentrations of AR(0.5%‒1.5%)and glucosinolates(0.005%‒0.015%),showing a dose-dependent inhibition of HAs and concurrent elimination of free radicals and HAs intermediates.Glucobrassicin demonstrated the highest reactivity,which was verified by frontier orbit analysis and conceptual density functional parameters,consistent with experimental findings.Furthermore,the O-H bond connected to the sulfur atom of glucobrassicin possessed the smallest bond dissociation enthalpy(BDE)value,which indicated that this particular hydrogen atom is most susceptible to react with free radicals.Overall,AR and its glucosinolates,especially glucobrassicin,show promise as natural additives for improving food safety and quality.
基金Project supported by the Natural Science Foundation of Shandong Province of China(No.ZR2024MA085)the Fundamental Research Funds for Central Universities of China(No.27RA2515008)。
文摘When micro/nano-scale gradient coatings are subject to large thermal gradients or high heat fluxes,the spatial size effect cannot be ignored.It is important to understand how the size effect influences the thermal fracture behavior of functionally graded coating/substrate structures.This study aims at analyzing the transient thermal fracture behavior of collinear interface cracks in functionally graded coating/substrate structures based on the nonlocal dual-phase-lag heat conduction model.By means of integral transform techniques,the mixed boundary problem is transformed into a set of singular integral equations,which are solved by the Chebyshev polynomials.The effects of the nonlocal parameter,coating thickness,crack spacing,and non-homogeneous parameters on the temperature and stress intensity factors(SIFs)are examined.The numerical results show that these parameters play an essential role in controlling the thermal fracture behavior of the structures,especially at micro/nano-scales.
基金supported by The National Natural Science Foundation of China(22471289 and 22478430)Shandong Natural Science Foundation(ZR2022ME105 and ZR2023ME004)+4 种基金Qingdao Natural Science Foundation(23-2-1-232-zyyd-jch)Geological body description and key technologies of reservoir engineering of CCUS oil displacement(2021ZZ01-03)Science and Technology Major Project on New Oil and Gas Exploration and Development:Research on Comprehensive Control Technology for CO_(2)-Enhanced Miscible and Immiscible Displacement(2024ZD1406601)State Key Laboratory of Enhanced Oil Recovery of Open Fund Funded Project(2024-KFKT-19)the Fundamental Research Funds for the Central Universities(24CX06042A and 24CX06070A)。
文摘The rational design of high-performance CO_(2)adsorbents remains a critical challenge in addressing global carbon emissions,with metal-organic frameworks(MOFs)emerging as promising candidates due to their tunable pore environments.However,the lack of systematic guidelines for functional group selection has hindered their practical implementation in carbon capture applications.Here,this gap was addressed by developing a comprehensive design framework through high-throughput computational screening.Through construction of a topology-directed database of 4797,integrating 10 metal centers with 144 functionalized ligands(18 ligands modified by–NH_(2),–NO_(2),–CH_(3),–CF_(3),–SH_(2),–SO_(2),–OH,and–OLi)across 36 topologies,the fundamental structure–property relationships governing CO_(2)capture performance was established.Multi-metric evaluation reveals that–NO_(2),–SO_(2),and–OLi dramatically enhance CO_(2)selectivity over CH_4/N_(2)via selectivity(S_(ads)),working capacity(ΔN),adsorbent performance score(APS),sorbent selection parameter(S_(sp)),and renewability R.Specially,ΔN rises from 2.34(pristine)to 5.91–7.94 mmol g^(-1)and S_(ads)surges from 24.94/40.36 to 121.11/176.87(–NO_(2)),149.94/215.54(–SO_(2)),and 58.64/267.44(–OLi).Besides,the critical trade-off between adsorption strength and renewability demonstrates that enhanced performance comes at the cost of reduced renewability,where stronger CO_(2)affinity(isosteric heat of-29.15,-29.96,and-30.09 for–NO_(2),–SO_(2),and–OLi)compromises renewability(R reduced by -50%).To resolve this trade-off,a novel energy efficiency(η)metric was introduced,which holistically evaluates both adsorption performance(S_(ads),ΔN,APS,S_(sp),and R)and energy inputs(desorption heat,pressure-swing energy,net loss).This leads to the identification of–SO_(2)as the optimal functional group that balances exceptional CO_(2)capture(η=6.17/12.78 for CO_(2)over CH_4/N_(2)),surpassing the second higher of 4.74/8.80 in–CF_(3)and 0.99/2.18 in non-functionalized counterparts.Adopting high-throughput computational screening methods,this work provides both fundamental insights into host–vip interactions in functionalized MOFs and a practical framework for designing next-generation adsorbents,bridging the gap between materials discovery and process engineering considerations in carbon capture technologies.
文摘The accurate mechanical analysis of thick-walled pressure vessel structures composed of advanced materials,such as hyperelastic and functionally graded materials(FGMs),is critical for ensuring their safety and optimizing their design.However,conventional numerical methods can face challenges with the non-linearities inherent in hyperelasticity and the complex spatial variations in FGMs.This paper presents a novel hybrid numerical approach combining Physics-Informed Neural Networks(PINNs)with Finite Element Method(FEM)derived data for the robust analysis of thick-walled,axisymmetric,heterogeneous,hyperelastic pressure vessels with elliptical geometries.A PINN framework incorporating neo-Hookean constitutive relations is developed in MATLAB.To enhance training efficiency and accuracy,the PINN’s loss function is augmented with displacement data obtained from high-fidelity FEM simulations performed in ANSYS.The methodology is rigorously validated by comparing PINN-predicted displacement and von Mises stress fields against ANSYS benchmarks for various scenarios of FGMconfigurations(with material properties varying according to a power law)subjected to internal and external pressurization.The results demonstrate excellent agreement between the proposed hybrid PINN-FEMapproach and conventional FEMsolutions across all test cases,accurately capturing complex deformation patterns and stress concentrations.This study highlights the potential of data-augmented PINNs as an effective and accurate computational tool for tackling complex solid mechanics problems involving non-linearmaterials and significant heterogeneity,offering a promising avenue for future research in engineering design and analysis.
基金support provided by the National Natural Science Foundation of China(No.22273043).
文摘As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.
基金supported by the National Natural Science Foundation of China,Nos.82204360(to HM)and 82270411(to GW)National Science and Technology Innovation 2030 Major Program,No.2021ZD0200900(to YL)。
文摘Traumatic brain injury involves complex pathophysiological mechanisms,among which oxidative stress significantly contributes to the occurrence of secondary injury.In this study,we evaluated hypidone hydrochloride(YL-0919),a self-developed antidepressant with selective sigma-1 receptor agonist properties,and its associated mechanisms and targets in traumatic brain injury.Behavioral experiments to assess functional deficits were followed by assessment of neuronal damage through histological analyses and examination of blood-brain barrier permeability and brain edema.Next,we investigated the antioxidative effects of YL-0919 by assessing the levels of traditional markers of oxidative stress in vivo in mice and in vitro in HT22 cells.Finally,the targeted action of YL-0919 was verified by employing a sigma-1 receptor antagonist(BD-1047).Our findings demonstrated that YL-0919 markedly improved deficits in motor function and spatial cognition on day 3 post traumatic brain injury,while also decreasing neuronal mortality and reversing blood-brain barrier disruption and brain edema.Furthermore,YL-0919 effectively combated oxidative stress both in vivo and in vitro.The protective effects of YL-0919 were partially inhibited by BD-1047.These results indicated that YL-0919 relieved impairments in motor and spatial cognition by restraining oxidative stress,a neuroprotective effect that was partially reversed by the sigma-1 receptor antagonist BD-1047.YL-0919 may have potential as a new treatment for traumatic brain injury.
文摘Impairments on body function,activities of daily living(ADL)and cognition are common after stroke.Eccentric resistance training(ERT)may be implemented to improve them.The primary objectives were to evaluate whether ERT improves body function,ADL and cognition after stroke.The secondary objectives were to evaluate whether ERT improves strength,gait,quality of life,and self-perceived health.Seven electronic databases were searched:Cochrane Central Register of Controlled Trials,Cochrane Stroke Group Trials Register,PubMed,Epistemonikos,Embase,SPORTDiscus,and WHO International Clinical Trials Registry Platform.Last search was run in December 2023,including studies since 2012.Selection criteria were studies with stroke participants of both sexes,aged 18 or more,with an intervention based on ERT.Accepted languages were English,Spanish or French.First search was done in pairs.Authors removed duplicate studies and those which did not meet inclusion criteria through title and abstracts.Finally,all authors,independently,screened the final search results and extracted data.Of 68 records identified,15 were eligible and 6 were finally included(with moderate risk of bias),analyzing 159 participants.Body function(4 interventions,n=84),gait(4 interventions,n=115)and strength(3 interventions,n?78)showed significantly better results when ERT was performed.Meta-analysis could not be done because of the few studies and their heterogeneity.This review provided low-moderate quality evidence suggesting that ERT might be effective at improving body function,strength,and gait after stroke.Besides,no harm was documented,and it was well-accepted.
文摘BACKGROUND Mild cognitive impairment(MCI)is a high-risk precursor to Alzheimer’s disease characterized by declining memory or other progressive cognitive functions without compromising daily living abilities.AIM To investigate the efficacy of repetitive transcranial magnetic stimulation(rTMS)in patients with MCI.METHODS This retrospective analysis involved 180 patients with MCI who were admitted to The First Hospital of Shanxi Medical University from January 2021 to June 2023.Participants were allocated into the research(n=98,receiving rTMS)and control groups(n=82,receiving sham stimulation).Memory tests,cognitive function assessments,event-related potential–P300 tests,and electroencephalogram(EEG)examinations were conducted pre-treatment and post-treatment.Further,memory quotient(MQ),cognitive function scores,and EEG grading results were compared,along with adverse reaction incidences.RESULTS Pre-treatment MQ scores,long-term and short-term memory,as well as immediate memory scores,demonstrated no notable differences between the groups.Post-treatment,the research group exhibited significant increases in MQ scores,long-term memory,and short-term memory compared to baseline(P<0.05),with these improvements being statistically superior to those in the control group.However,immediate memory scores exhibited no significant change(P>0.05).Further,the research group demonstrated statistically better post-treatment scores on the Revised Wechsler Memory Scale than the control group.Furthermore,post-treatment P300 latency and amplitude improved significantly in the research group,surpassing the control group.EEG grading in the research group improved,and the incidence of adverse reactions was significantly lower than in the control group.CONCLUSION Patients with MCI receiving rTMS therapy demonstrated improved memory and cognitive functions and EEG grading and exhibited high safety with fewer adverse reactions.
