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Self-Activating Integrated Carbon-Based Air Cathodes With In Situ Oxygen Functionalization for Durable and High-Performance Metal-Air Batteries
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作者 Funing Bian Yuexi Chen +3 位作者 Hongfei Zhang Junfang Cheng Shulin Gao Sujuan Hu 《Carbon Energy》 2026年第1期176-186,共11页
Carbon-based air cathodes offer low cost,high electrical conductivity,and structural tunability.However,they suffer from limited catalytic activity and inefficient gas transport,and they typically rely on noble metal ... Carbon-based air cathodes offer low cost,high electrical conductivity,and structural tunability.However,they suffer from limited catalytic activity and inefficient gas transport,and they typically rely on noble metal additives or complex multilayer configurations.To tackle these issues,this study devised a self-activated integrated carbon-based air cathode.By integrating in situ catalytic site construction with structural optimization,the strategy not only induces the formation of oxygen functional groups(─C─OH,─C═O,─COOH),hierarchical pores,and uniformly distributed active sites,but also establishes a favorable electronic and mass-transport environment.Furthermore,the roll-pressing-based integrated design streamlines electrode construction,reinforces interfacial bonding,and significantly enhances mechanical stability.Density functional theory(DFT)calculations show that oxygen functional groups initiate hydrogen bonding interaction and promote charge enrichment,which improves the activity of the cathode and facilitates intermediate adsorption/desorption in oxygen reduction and evolution reactions processes.As a result,the integrated air cathode-based rechargeable zinc-air batteries(RZABs)achieve a high specific capacity of 811 mAh g^(-1).It also performs well in quasi-solid-state RZABs and silicon-air batteries systems across a wide temperature range,demonstrating strong adaptability and application potential.This study provides a scalable and cost-effective design strategy for high-performance carbon-based air cathodes,offering new insights into advancing durable and practical metal-air energy systems. 展开更多
关键词 integrated air cathode metal-air batteries ORR/OER oxygen functional group engineering SELF-ACTIVATION
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A radiomics approach for predicting gait freezing in Parkinson's disease based on resting-state functional magnetic resonance imaging indices:A cross-sectional study
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作者 Miaoran Guo Hu Liu +6 位作者 Long Gao Hongmei Yu Yan Ren Yingmei Li Huaguang Yang Chenghao Cao Guoguang Fan 《Neural Regeneration Research》 2026年第4期1621-1627,共7页
Freezing of gait is a significant and debilitating motor symptom often observed in individuals with Parkinson's disease.Resting-state functional magnetic resonance imaging,along with its multi-level feature indice... Freezing of gait is a significant and debilitating motor symptom often observed in individuals with Parkinson's disease.Resting-state functional magnetic resonance imaging,along with its multi-level feature indices,has provided a fresh perspective and valuable insight into the study of freezing of gait in Parkinson's disease.It has been revealed that Parkinson's disease is accompanied by widespread irregularities in inherent brain network activity.However,the effective integration of the multi-level indices of resting-state functional magnetic resonance imaging into clinical settings for the diagnosis of freezing of gait in Parkinson's disease remains a challenge.Although previous studies have demonstrated that radiomics can extract optimal features as biomarkers to identify or predict diseases,a knowledge gap still exists in the field of freezing of gait in Parkinson's disease.This cross-sectional study aimed to evaluate the ability of radiomics features based on multi-level indices of resting-state functional magnetic resonance imaging,along with clinical features,to distinguish between Parkinson's disease patients with and without freezing of gait.We recruited 28 patients with Parkinson's disease who had freezing of gait(15 men and 13 women,average age 63 years)and 30 patients with Parkinson's disease who had no freezing of gait(16 men and 14 women,average age 64 years).Magnetic resonance imaging scans were obtained using a 3.0T scanner to extract the mean amplitude of low-frequency fluctuations,mean regional homogeneity,and degree centrality.Neurological and clinical characteristics were also evaluated.We used the least absolute shrinkage and selection operator algorithm to extract features and established feedforward neural network models based solely on resting-state functional magnetic resonance imaging indicators.We then performed predictive analysis of three distinct groups based on resting-state functional magnetic resonance imaging indicators indicators combined with clinical features.Subsequently,we conducted 100 additional five-fold cross-validations to determine the most effective model for each classification task and evaluated the performance of the model using the area under the receiver operating characteristic curve.The results showed that when differentiating patients with Parkinson's disease who had freezing of gait from those who did not have freezing of gait,or from healthy controls,the models using only the mean regional homogeneity values achieved the highest area under the receiver operating characteristic curve values of 0.750(with an accuracy of 70.9%)and 0.759(with an accuracy of 65.3%),respectively.When classifying patients with Parkinson's disease who had freezing of gait from those who had no freezing of gait,the model using the mean amplitude of low-frequency fluctuation values combined with two clinical features achieved the highest area under the receiver operating characteristic curve of 0.847(with an accuracy of 74.3%).The most significant features for patients with Parkinson's disease who had freezing of gait were amplitude of low-frequency fluctuation alterations in the left parahippocampal gyrus and two clinical characteristics:Montreal Cognitive Assessment and Hamilton Depression Scale scores.Our findings suggest that radiomics features derived from resting-state functional magnetic resonance imaging indices and clinical information can serve as valuable indices for the identification of freezing of gait in Parkinson's disease. 展开更多
关键词 amplitude of low-frequency fluctuation degree centrality feedforward neural network freezing of gait machine learning parahippocampal gyrus Parkinson's disease receiver operating characteristic regional homogeneity resting-state functional magnetic resonance imaging
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Microglia overexpressing brain-derived neurotrophic factor promote vascular repair and functional recovery in mice after spinal cord injury 被引量:2
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作者 Fanzhuo Zeng Yuxin Li +6 位作者 Xiaoyu Li Xinyang Gu Yue Cao Shuai Cheng He Tian Rongcheng Mei Xifan Mei 《Neural Regeneration Research》 2026年第1期365-376,共12页
Spinal cord injury represents a severe form of central nervous system trauma for which effective treatments remain limited.Microglia is the resident immune cells of the central nervous system,play a critical role in s... Spinal cord injury represents a severe form of central nervous system trauma for which effective treatments remain limited.Microglia is the resident immune cells of the central nervous system,play a critical role in spinal cord injury.Previous studies have shown that microglia can promote neuronal survival by phagocytosing dead cells and debris and by releasing neuroprotective and anti-inflammatory factors.However,excessive activation of microglia can lead to persistent inflammation and contribute to the formation of glial scars,which hinder axonal regeneration.Despite this,the precise role and mechanisms of microglia during the acute phase of spinal cord injury remain controversial and poorly understood.To elucidate the role of microglia in spinal cord injury,we employed the colony-stimulating factor 1 receptor inhibitor PLX5622 to deplete microglia.We observed that sustained depletion of microglia resulted in an expansion of the lesion area,downregulation of brain-derived neurotrophic factor,and impaired functional recovery after spinal cord injury.Next,we generated a transgenic mouse line with conditional overexpression of brain-derived neurotrophic factor specifically in microglia.We found that brain-derived neurotrophic factor overexpression in microglia increased angiogenesis and blood flow following spinal cord injury and facilitated the recovery of hindlimb motor function.Additionally,brain-derived neurotrophic factor overexpression in microglia reduced inflammation and neuronal apoptosis during the acute phase of spinal cord injury.Furthermore,through using specific transgenic mouse lines,TMEM119,and the colony-stimulating factor 1 receptor inhibitor PLX73086,we demonstrated that the neuroprotective effects were predominantly due to brain-derived neurotrophic factor overexpression in microglia rather than macrophages.In conclusion,our findings suggest the critical role of microglia in the formation of protective glial scars.Depleting microglia is detrimental to recovery of spinal cord injury,whereas targeting brain-derived neurotrophic factor overexpression in microglia represents a promising and novel therapeutic strategy to enhance motor function recovery in patients with spinal cord injury. 展开更多
关键词 ANGIOGENESIS apoptosis brain-derived neurotrophic factor colony stimulating factor 1 receptor inflammation MICROGLIA motor function spinal cord injury vascular endothelial growth factor
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First-principles prediction of shock Hugoniot curves of boron,aluminum,and silicon from stochastic density functional theory
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作者 Tao Chen Qianrui Liu +1 位作者 Chang Gao Mohan Chen 《Matter and Radiation at Extremes》 2025年第5期73-83,共11页
By adopting stochastic density functional theory(SDFT)and mixed stochastic-deterministic density functional theory(MDFT)methods,we perform first-principles calculations to predict the shock Hugoniot curves of boron(pr... By adopting stochastic density functional theory(SDFT)and mixed stochastic-deterministic density functional theory(MDFT)methods,we perform first-principles calculations to predict the shock Hugoniot curves of boron(pressure P=7.9×10^(3)-1.6×10^(6) GPa and temperature T=25-2800 eV),silicon(P=2.6×10^(3)-7.9×10^(5) GPa and T=21.5-1393 eV),and aluminum(P=5.2×10^(3)-9.0×10^(5) GPa and T=25-1393 eV)over wide ranges of pressure and temperature.In particular,we systematically investigate the impact of different cutoff radii in norm-conserving pseudopotentials on the calculated properties at elevated temperatures,such as pressure,ionization energy,and equation of state.By comparing the SDFT and MDFT results with those of other first-principles methods,such as extended first-principles molecular dynamics and path integral Monte Carlo methods,we find that the SDFT and MDFT methods show satisfactory precision,which advances our understanding of first-principles methods when applied to studies of matter at extremely high pressures and temperatures. 展开更多
关键词 mixed stochastic deterministic density functional theory BORON shock hugoniot curves stochastic density functional theory stochastic density functional theory sdft ALUMINUM SILICON first principles calculations
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Artificial intelligence in functional gastrointestinal disorders:From precision diagnosis to preventive healthcare
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作者 Yi-Nan Yan Jing-Qi Zeng Xia Ding 《Artificial Intelligence in Gastroenterology》 2026年第1期20-35,共16页
Functional gastrointestinal disorders(FGIDs),including irritable bowel syndrome(IBS),functional dyspepsia(FD),and gastroesophageal reflux disease(GERD),present persistent diagnostic and therapeutic challenges due to s... Functional gastrointestinal disorders(FGIDs),including irritable bowel syndrome(IBS),functional dyspepsia(FD),and gastroesophageal reflux disease(GERD),present persistent diagnostic and therapeutic challenges due to symptom heterogeneity and the absence of reliable biomarkers.Artificial intelligence(AI)enables the integration of multimodal data to enhance FGID management through precision diagnostics and preventive healthcare.This minireview summarizes recent advancements in AI applications for FGIDs,highlighting progress in diagnostic accuracy,subtype classification,personalized interventions,and preventive strategies inspired by the traditional Chinese medicine concept of“treating the undiseased”.Machine learning and deep learning algorithms have demonstrated value in improving IBS diagnosis,refining FD neuro-gastrointestinal subtyping,and screening for GERD-related complications.Moreover,AI supports dietary,psychological,and integrative medicine-based interventions to improve patient adherence and quality of life.Nonetheless,key challenges remain,including data heterogeneity,limited model interpretability,and the need for robust clinical validation.Future directions emphasize interdisciplinary collaboration,the development of multimodal and explainable AI models,and the creation of patientcentered platforms to facilitate a shift from reactive treatment to proactive prevention.This review provides a systematic framework to guide the clinical application and theoretical innovation of AI in FGIDs. 展开更多
关键词 Artificial intelligence functional gastrointestinal disorders Irritable bowel syndrome functional dyspepsia Gastroesophageal reflux disease
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Aberrant resting-state functional connectivity in amygdala subregions among adolescents with depression and suicide attempts
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作者 Shao-Chen Cheng Yong-Ming Wang +5 位作者 Yu-Tong Li Qian-Nan Yao Xin-Lin Huang Jian Ji Xiao-Bin Zhang Hong-Yan Sun 《World Journal of Psychiatry》 2026年第1期91-103,共13页
BACKGROUND Suicide constitutes the second leading cause of death among adolescents globally and represents a critical public health concern.The neural mechanisms underlying suicidal behavior in adolescents with major ... BACKGROUND Suicide constitutes the second leading cause of death among adolescents globally and represents a critical public health concern.The neural mechanisms underlying suicidal behavior in adolescents with major depressive disorder(MDD)remain poorly understood.Aberrant resting-state functional connectivity(rsFC)in the amygdala,a key region implicated in emotional regulation and threat detection,is strongly implicated in depression and suicidal behavior.AIM To investigate rsFC alterations between amygdala subregions and whole-brain networks in adolescent patients with depression and suicide attempts.METHODS Resting-state functional magnetic resonance imaging data were acquired from 32 adolescents with MDD and suicide attempts(sMDD)group,33 adolescents with MDD but without suicide attempts(nsMDD)group,and 34 demographically matched healthy control(HC)group,with the lateral and medial amygdala(MeA)defined as regions of interest.The rsFC patterns of amygdala subregions were compared across the three groups,and associations between aberrant rsFC values and clinical symptom severity scores were examined.RESULTS Compared with the nsMDD group,the sMDD group exhibited reduced rsFC between the right lateral amygdala(LA)and the right inferior occipital gyrus as well as the left middle occipital gyrus.Compared with the HC group,the abnormal brain regions of rsFC in the sMDD group and nsMDD group involve the parahippocampal gyrus(PHG)and fusiform gyrus.In the sMDD group,right MeA and right temporal pole:Superior temporal gyrus rsFC value negatively correlated with the Rosenberg Self-Esteem Scale scores(r=-0.409,P=0.025),while left LA and right PHG rsFC value positively correlated with the Adolescent Self-Rating Life Events Checklist interpersonal relationship scores(r=0.372,P=0.043).CONCLUSION Aberrant rsFC changes between amygdala subregions and these brain regions provide novel insights into the underlying neural mechanisms of suicide attempts in adolescents with MDD. 展开更多
关键词 Suicide attempt ADOLESCENT Major depressive disorder AMYGDALA functional connectivity
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Review of Flash Joule Heating for the Synthesis of Graphene and Other Functional Carbon Materials
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作者 Zhiwu Tan Faisal Mahmood +8 位作者 Mengzhen Tian Yimeng Li Qingfa Zhang Zhong Ma Mingfeng Wang Weiwei Liu Shihong Zhang Haiping Yang Bin Li 《Carbon Energy》 2026年第1期223-252,共30页
Flash Joule heating(FJH),as a high-efficiency and low-energy consumption technology for advanced materials synthesis,has shown significant potential in the synthesis of graphene and other functional carbon materials.B... Flash Joule heating(FJH),as a high-efficiency and low-energy consumption technology for advanced materials synthesis,has shown significant potential in the synthesis of graphene and other functional carbon materials.Based on the Joule effect,the solid carbon sources can be rapidly heated to ultra-high temperatures(>3000 K)through instantaneous high-energy current pulses during FJH,thus driving the rapid rearrangement and graphitization of carbon atoms.This technology demonstrates numerous advantages,such as solvent-and catalyst-free features,high energy conversion efficiency,and a short process cycle.In this review,we have systematically summarized the technology principle and equipment design for FJH,as well as its raw materials selection and pretreatment strategies.The research progress in the FJH synthesis of flash graphene,carbon nanotubes,graphene fibers,and anode hard carbon,as well as its by-products,is also presented.FJH can precisely optimize the microstructures of carbon materials(e.g.,interlayer spacing of turbostratic graphene,defect concentration,and heteroatom doping)by regulating its operation parameters like flash voltage and flash time,thereby enhancing their performances in various applications,such as composite reinforcement,metal-ion battery electrodes,supercapacitors,and electrocatalysts.However,this technology is still challenged by low process yield,macroscopic material uniformity,and green power supply system construction.More research efforts are also required to promote the transition of FJH from laboratory to industrial-scale applications,thus providing innovative solutions for advanced carbon materials manufacturing and waste management toward carbon neutrality. 展开更多
关键词 APPLICATIONS by products flash graphene flash Joule heating functional carbon materials upscaling
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Neuronal swelling implicated in functional recovery after spinal cord injury
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作者 Qiang Li 《Neural Regeneration Research》 2026年第4期1558-1559,共2页
Spinal cord injury(SCI) often results in permanent dysfunction of locomotion,sensation,and autonomic regulation,imposing a substantial burden on both individuals and society(Anjum et al.,2020).SCI has a complex pathop... Spinal cord injury(SCI) often results in permanent dysfunction of locomotion,sensation,and autonomic regulation,imposing a substantial burden on both individuals and society(Anjum et al.,2020).SCI has a complex pathophysiology:an initial primary injury(mechanical trauma,axonal disruption,and hemorrhage) is followed by a progressive secondary injury cascade that involves ischemia,neuronal loss,and inflammation.Given the challenges in achieving regeneration of the injured spinal cord,neuroprotection has been at the forefront of clinical research. 展开更多
关键词 spinal cord injury SENSATION neuronal swelling autonomic regulation functional recovery PATHOPHYSIOLOGY spinal cord injury sci locomotion
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Brain-computer interfaces re-shape functional neurosurgery
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作者 Thomas Kinfe Steffen Brenner Nima Etminan 《Neural Regeneration Research》 2026年第3期1122-1123,共2页
Invasive as well as non-invasive neurotechnologies conceptualized to interface the central and peripheral nervous system have been probed for the past decades,which refer to electroencephalography,electrocorticography... Invasive as well as non-invasive neurotechnologies conceptualized to interface the central and peripheral nervous system have been probed for the past decades,which refer to electroencephalography,electrocorticography and microelectrode arrays.The challenges of these mentioned approaches are characterized by the bandwidth of the spatiotemporal resolution,which in turn is essential for large-area neuron recordings(Abiri et al.,2019). 展开更多
关键词 microelectrode arraysthe brain computer interfaces ELECTROENCEPHALOGRAPHY ELECTROCORTICOGRAPHY interface central peripheral nervous system non invasive neurotechnologies functional neurosurgery microelectrode arrays
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Secretase inhibition in Alzheimer's disease therapeutics reveals functional roles of amyloid-beta42
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作者 Timothy Daly Bruno P.Imbimbo 《Neural Regeneration Research》 2026年第5期2003-2004,共2页
In the words of the late Sir Colin Blakemore,neurologists have historically sought to infer brain functions in a manner akin to to king a hammer to a computeranalyzing localized anatomical lesions caused by trauma,tum... In the words of the late Sir Colin Blakemore,neurologists have historically sought to infer brain functions in a manner akin to to king a hammer to a computeranalyzing localized anatomical lesions caused by trauma,tumors,or strokes,noting deficits,and inferring what functions certain brain regions may be responsible for.This approach exemplifies a deletion heuristic,where the absence of a specific function reveals insights about the underlying structures or mechanisms responsible for it.By observing what is lost when a particular brain region is damaged,throughout the history of the field,neurologists have pieced together the intricate relationship between anatomy and function. 展开更多
关键词 infer brain functions secretase inhibition Alzheimers disease therapeutics king hammer deletion heuristic amyloid beta deletion heuristicwhere observing what l
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Morphological characteristics and corresponding functional properties of homeostatic human microglia
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作者 Pariya Khodabakhsh Olga Garaschuk 《Neural Regeneration Research》 2026年第3期1112-1113,共2页
Microglia,the resident immune cells of the central nervous system,exhibit a wide array of functional states,even in their so-called“homeostatic”condition,when they are not actively responding to overt pathological s... Microglia,the resident immune cells of the central nervous system,exhibit a wide array of functional states,even in their so-called“homeostatic”condition,when they are not actively responding to overt pathological stimuli.These functional states can be visualized using a combination of multi-omics techniques(e.g.,gene and protein expression,posttranslational modifications,mRNA profiling,and metabolomics),and,in the case of homeostatic microglia,are largely defined by the global(e.g.,genetic variations,organism’s age,sex,circadian rhythms,and gut microbiota)as well as local(specific area of the brain,immediate microglial surrounding,neuron-glia interactions and synaptic density/activity)signals(Paolicelli et al.,2022).While phenomics(i.e.,ultrastructural microglial morphology and motility)is also one of the key microglial state-defining parameters,it is known that cells with similar morphology can belong to different functional states. 展开更多
关键词 functional properties multi omics techniques protein expressionposttranslational modificationsmrna profilingand homeostatic human microglia morphological characteristics resident immune cells homeostatic microgliaare protein expression
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Neuromodulation technologies improve functional recovery after brain injury:From bench to bedside
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作者 Mei Liu Yijing Meng +4 位作者 Siguang Ouyang Meng’ai Zhai Likun Yang Yang Yang Yuhai Wang 《Neural Regeneration Research》 2026年第2期506-520,共15页
Spontaneous recovery frequently proves maladaptive or insufficient because the plasticity of the injured adult mammalian central nervous system is limited.This limited plasticity serves as a primary barrier to functio... Spontaneous recovery frequently proves maladaptive or insufficient because the plasticity of the injured adult mammalian central nervous system is limited.This limited plasticity serves as a primary barrier to functional recovery after brain injury.Neuromodulation technologies represent one of the fastest-growing fields in medicine.These techniques utilize electricity,magnetism,sound,and light to restore or optimize brain functions by promoting reorganization or long-term changes that support functional recovery in patients with brain injury.Therefore,this review aims to provide a comprehensive overview of the effects and underlying mechanisms of neuromodulation technologies in supporting motor function recovery after brain injury.Many of these technologies are widely used in clinical practice and show significant improvements in motor function across various types of brain injury.However,studies report negative findings,potentially due to variations in stimulation protocols,differences in observation periods,and the severity of functional impairments among participants across different clinical trials.Additionally,we observed that different neuromodulation techniques share remarkably similar mechanisms,including promoting neuroplasticity,enhancing neurotrophic factor release,improving cerebral blood flow,suppressing neuroinflammation,and providing neuroprotection.Finally,considering the advantages and disadvantages of various neuromodulation techniques,we propose that future development should focus on closed-loop neural circuit stimulation,personalized treatment,interdisciplinary collaboration,and precision stimulation. 展开更多
关键词 functional recovery invasive electrical stimulation NEUROMODULATION noninvasive electrical stimulation stroke transcranial magnetic stimulation transcranial photobiomodulation transcranial ultrasound stimulation traumatic brain injury
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Resting-state brain network remodeling after different nerve reconstruction surgeries:a functional magnetic resonance imaging study in brachial plexus injury rats
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作者 Yunting Xiang Xiangxin Xing +6 位作者 Xuyun Hua Yuwen Zhang Xin Xue Jiajia Wu Mouxiong Zheng He Wang Jianguang Xu 《Neural Regeneration Research》 SCIE CAS 2025年第5期1495-1504,共10页
Distinct brain remodeling has been found after different nerve reconstruction strategies,including motor representation of the affected limb.However,differences among reconstruction strategies at the brain network lev... Distinct brain remodeling has been found after different nerve reconstruction strategies,including motor representation of the affected limb.However,differences among reconstruction strategies at the brain network level have not been elucidated.This study aimed to explore intranetwork changes related to altered peripheral neural pathways after different nerve reconstruction surgeries,including nerve repair,endto-end nerve transfer,and end-to-side nerve transfer.Sprague–Dawley rats underwent complete left brachial plexus transection and were divided into four equal groups of eight:no nerve repair,grafted nerve repair,phrenic nerve end-to-end transfer,and end-to-side transfer with a graft sutured to the anterior upper trunk.Resting-state brain functional magnetic resonance imaging was obtained 7 months after surgery.The independent component analysis algorithm was utilized to identify group-level network components of interest and extract resting-state functional connectivity values of each voxel within the component.Alterations in intra-network resting-state functional connectivity were compared among the groups.Target muscle reinnervation was assessed by behavioral observation(elbow flexion)and electromyography.The results showed that alterations in the sensorimotor and interoception networks were mostly related to changes in the peripheral neural pathway.Nerve repair was related to enhanced connectivity within the sensorimotor network,while end-to-side nerve transfer might be more beneficial for restoring control over the affected limb by the original motor representation.The thalamic-cortical pathway was enhanced within the interoception network after nerve repair and end-to-end nerve transfer.Brain areas related to cognition and emotion were enhanced after end-to-side nerve transfer.Our study revealed important brain networks related to different nerve reconstructions.These networks may be potential targets for enhancing motor recovery. 展开更多
关键词 brain functional networks end-to-end nerve transfer end-to-side nerve transfer independent component analysis nerve repair peripheral plexus injury resting-state functional connectivity
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Recent Advances toward Electro- and Electrophotochemical 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ)-Catalyzed C—H/C—F Bonds Functionalization
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作者 Yongmei Li Liangbo Sun +1 位作者 Kun Xu Chengchu Zeng 《有机化学》 北大核心 2025年第2期668-676,共9页
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) is a stoichiometric oxidant that is frequently used in traditional organic synthesis. Recently, the rapid development of organic electrochemistry has led to new advancem... 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) is a stoichiometric oxidant that is frequently used in traditional organic synthesis. Recently, the rapid development of organic electrochemistry has led to new advancements in DDQ-catalyzed C—H bonds functionalization. Moreover, the challenging C—H functionalization of electron-deficient arenes has been achieved through the merger of electrochemical DDQ catalysis and photoirradiation. In addition, the synthetic utility of electrophotochemical DDQ catalysis was further demonstrated by the nucleophilic aromatic substitution (SNAr) reaction of unactivated aryl fluorides. The recent developments in electro- and electrophotochemical DDQ-catalyzed C—H/C—F func- tionalizations with attention to their strategies and mechanistic insights are summarized. It is hoped that this not only deepens the understanding of this field, but also helps relevant researchers expand the application scope of DDQ catalysis. 展开更多
关键词 2 3-dichloro-5 6-dicyano-1 4-benzoquinone(DDQ) electrocatalysis organic electrosynthesis electrophotocatalysis C-H functionalization C-F functionalization
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Machine Learning Density Functional Compatible with Dispersion Correction for Non-Covalent Interactions
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作者 Yapeng Zhang Zipeng An +4 位作者 JingChun Wang Yao Wang Rui-Xue Xu GuanHua Chen Xiao Zheng 《Chinese Journal of Chemical Physics》 2025年第2期140-148,I0039,共10页
Machine learning(ML)has demon-strated significant potential in en-hancing the predictive capabilities of density functional theory methods.In this study,we develop an ML model for correcting B3LYP-D,a density function... Machine learning(ML)has demon-strated significant potential in en-hancing the predictive capabilities of density functional theory methods.In this study,we develop an ML model for correcting B3LYP-D,a density functional approximation that incorporates dispersion correc-tions for non-covalent interactions.This model utilizes semilocal elec-tron density descriptors,and is trained with accurate reference data for both relative and ab-solute energies.Extensive benchmark tests reveal that the ML correction substantially en-hances the generalization ability of the B3LYP-D functional,improving the predictions of at-omization and dissociation energies for complex molecular systems.It retains the accuracy of B3LYP-D in predicting reaction barrier heights and non-covalent interactions while enabling efficient,fully self-consistent field calculations.This work signifies a promising advancement in the development of ML-corrected functionals that surpass the performance of traditional B3LYP-D. 展开更多
关键词 Density functional theory Exchange-correlation functional Machine learning
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Local Rate of Convergence in the Functional Limit Theorem for Increments of a Fractional Brownian Motion 被引量:1
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作者 LIU Yonghong DING Ding ZHOU Xia 《数学进展》 北大核心 2025年第1期197-211,共15页
In this paper,we present local functional law of the iterated logarithm for Cs?rg?-Révész type increments of fractional Brownian motion.The results obtained extend works of Gantert[Ann.Probab.,1993,21(2):104... In this paper,we present local functional law of the iterated logarithm for Cs?rg?-Révész type increments of fractional Brownian motion.The results obtained extend works of Gantert[Ann.Probab.,1993,21(2):1045-1049]and Monrad and Rootzén[Probab.Theory Related Fields,1995,101(2):173-192]. 展开更多
关键词 fractional Brownian motion INCREMENT local functional law of the iterated logarithm large deviation small deviation
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Preparation and applications of calcium ferrite as a functional material:A review
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作者 Xiuli Han Bowen Duan +2 位作者 Lei Liu Shilong Fang Weiwei Wang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS 2025年第2期292-310,共19页
Calcium ferrite(CF)is recognized as a potential green and efficient functional material because of its advantages of magnetism,electrochemistry,catalysis,and biocompatibility in the fields of materials chemistry,envir... Calcium ferrite(CF)is recognized as a potential green and efficient functional material because of its advantages of magnetism,electrochemistry,catalysis,and biocompatibility in the fields of materials chemistry,environmental engineering,and biomedicine.There-fore,the obtained research results need to be systematically summarized,and new perspectives on CF and its composite materials need to be analyzed.Based on the presented studies of CF and its composite materials,the types and structures of the crystal are summarized.In addition,the current application technologies and theoretical mechanisms with various properties in different fields are elucidated.Moreover,the various preparation methods of CF and its composite materials are elaborated in detail.Most importantly,the advantages and disadvantages of the synthesis methods of CF and its composite materials are discussed,and the existing problems and emerging challenges in practical production are identified.Furthermore,the key future research directions of CF and its composite materials have been prospected from the potential application technologies to provide references for its synthesis and efficient utilization. 展开更多
关键词 calcium ferrite mineral functional materials PREPARATION APPLICATION PERSPECTIVES
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Near-infrared brain functional characteristics of mild cognitive impairment with sleep disorders
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作者 Heng Liao Sha Liao +5 位作者 Yu-Jiao Gao Xi Wang Li-Hong Guo Su Zheng Wu Yang Yi-Nan Dai 《World Journal of Psychiatry》 SCIE 2025年第1期106-116,共11页
BACKGROUND Mild cognitive impairment(MCI)has a high risk of progression to Alzheimer’s disease.The disease is often accompanied by sleep disorders,and whether sleep disorders have an effect on brain function in patie... BACKGROUND Mild cognitive impairment(MCI)has a high risk of progression to Alzheimer’s disease.The disease is often accompanied by sleep disorders,and whether sleep disorders have an effect on brain function in patients with MCI is unclear.AIM To explore the near-infrared brain function characteristics of MCI with sleep disorders.METHODS A total of 120 patients with MCI(MCI group)and 50 healthy subjects(control group)were selected.All subjects underwent the functional near-infrared spec-troscopy test.Collect baseline data,Mini-Mental State Examination,Montreal Cognitive Assessment scale,fatigue severity scale(FSS)score,sleep parameter,and oxyhemoglobin(Oxy-Hb)concentration and peak time of functional near-infrared spectroscopy test during the task period.The relationship between Oxy-RESULTS Compared with the control group,the FSS score of the MCI group was higher(t=11.310),and the scores of Pittsburgh sleep quality index,sleep time,sleep efficiency,nocturnal sleep disturbance,and daytime dysfunction were higher(Z=-10.518,-10.368,-9.035,-10.661,-10.088).Subjective sleep quality and total sleep time scores were lower(Z=-11.592,-9.924).The sleep efficiency of the MCI group was lower,and the awakening frequency,rem sleep latency period,total sleep time,and oxygen desaturation index were higher(t=5.969,5.829,2.887,3.003,5.937).The Oxy-Hb concentration at T0,T1,and T2 in the MCI group was lower(t=14.940,11.280,5.721),and the peak time was higher(t=18.800,13.350,9.827).In MCI patients,the concentration of Oxy-Hb during T0 was negatively correlated with the scores of Pittsburgh sleep quality index,sleep time,total sleep time,and sleep efficiency(r=-0.611,-0.388,-0.563,-0.356).It was positively correlated with sleep efficiency and total sleep time(r=0.754,0.650),and negatively correlated with oxygen desaturation index(r=-0.561)and FSS score(r=-0.526).All comparisons were P<0.05.CONCLUSION Patients with MCI and sleep disorders have lower near-infrared brain function than normal people,which is related to sleep quality.Clinically,a comprehensive assessment of the near-infrared brain function of patients should be carried out to guide targeted treatment and improve curative effect. 展开更多
关键词 MILD Cognitive impairment Sleep disorders NEAR-INFRARED Brain functional CHARACTERISTICS
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Visible-Light-Mediated O-H Functionalization Reactions of Alkenyl Alcohols with Diazo Compounds
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作者 Xie Haochi Qin Yongkang +6 位作者 Yang Ting Li Hujin Sun Jiajia Qian Mingcheng Zhao Shuai Hou Ya'nan Chen Xin 《有机化学》 北大核心 2025年第8期3004-3016,共13页
Visible-light-mediated O-H functionalization reactions of alcohols with diazo compounds have been fully developed in recent years.However,alkenyl and acetylenic alcohols were rarely examined in these reactions due to ... Visible-light-mediated O-H functionalization reactions of alcohols with diazo compounds have been fully developed in recent years.However,alkenyl and acetylenic alcohols were rarely examined in these reactions due to the inevitable side reactions involving cycloaddition.Herein,the visible-light-mediated O-H functionalization reactions of alkenyl alcohols with diazo compounds were developed.This process competed favorably with the cycloaddition reaction.A series of multifunctional ethers were provided in low to high yields with aryldiazoacetates or 3-diazooxindoles.Biologically relevant spirooxindole-fused oxacycle could be easily accessed from the O-H functionalization product of alkenyl alcohol and 3-diazooxindole. 展开更多
关键词 VISIBLE-LIGHT O-H functionalization alkenyl alcohol diazo compound spirooxindole-fused oxacycle
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Highly selective QCM sensor based on functionalized hierarchical hollow TiO_(2)nanospheres for detecting ppb-level 3-hydroxy-2-butanone biomarker at room temperature 被引量:1
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作者 Siqi Sun Cheng Zhao +6 位作者 Zhaohuan Zhang Ding Wang Xinru Yin Jingting Han Jinlei Wei Yong Zhao Yongheng Zhu 《Chinese Chemical Letters》 2025年第5期740-745,共6页
Listeria monocytogenes(LM)is a dangerous foodborne pathogen for humans.One emerging and validated method of indirectly assessing LM in food is detecting 3-hydroxy-2-butanone(3H2B)gas.In this study,the synthesis of 3-(... Listeria monocytogenes(LM)is a dangerous foodborne pathogen for humans.One emerging and validated method of indirectly assessing LM in food is detecting 3-hydroxy-2-butanone(3H2B)gas.In this study,the synthesis of 3-(2-aminoethylamino)propyltrimethoxysilane(AAPTMS)functionalized hierarchical hollow TiO_(2)nanospheres was achieved via precise controlling of solvothermal reaction temperature and post-grafting route.The sensors based on as-prepared materials exhibited excellent sensitivity(480 Hz@50 ppm),low detection limit(100 ppb),and outstanding selectivity.Moreover,the evaluation of LM with high sensitivity and specificity was achieved using the sensors.Such stable three-dimensional spheres,whose distinctive hierarchical and hollow nanostructure simultaneously improved both sensitivity and response/recovery speed dramatically,were spontaneously assembled by nanosheets.Meanwhile,the moderate loadings of AAPTMS significantly improved the selectivity of sensors.Then,the gas-sensing mechanism was explored by utilizing thermodynamic investigation,Gaussian 16 software,and in situ diffuse reflectance infrared transform spectroscopy,illustrating the weak chemisorption between the-NHgroup and 3H2B molecules.These portable sensors are promising for real-time assessment of LM at room temperature,which will make a magnificent contribution to food safety. 展开更多
关键词 Hierarchical hollow TiO_(2)nanospheres AAPTMS functionalization Gas sensor 3-Hydroxy-2-butanone detection Sensing mechanism
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