BACKGROUND:Although the Confusion Assessment Methods for the Intensive Care Unit(CAMICU) is a recommended tool for diagnosing sepsis-associated encephalopathy(SAE),it has several limitations.Mismatch-negativity(MMN) a...BACKGROUND:Although the Confusion Assessment Methods for the Intensive Care Unit(CAMICU) is a recommended tool for diagnosing sepsis-associated encephalopathy(SAE),it has several limitations.Mismatch-negativity(MMN) and P3a are components of event-related potentials(ERPs) used with electroencephalography(EEG) and are associated with cerebral function changes in critically ill patients.This study aimed to provide a quantitative,non-invasive method to guide SAE diagnosis in nonsedated patients.METHODS:From January 2022 to March 2023,sepsis patients without sedation were enrolled and assessed via the CAM-ICU,Glasgow Coma Scale(GCS),and ERP under standard procedures.Both MMN and P3a data were collected.The diagnostic value of MMN and P3a was assessed with processed ERP data.RESULTS:Thirty-six patients were included in this study,comprising 19 patients with SAE and 17 patients without SAE(NSAE).MMN and P3a amplitudes decreased,and only FzMMN amplitude significantly decreased in SAE patients(2.03 [1.08,2.93] mV vs.3.21 [1.92,4.34] mV,P=0.040).After median dichotomization,low F3P3a and FzP3a amplitudes were associated with higher CAM-ICU positivity rates and APACHE II scores.Both amplitude in F3P3a(AUC=0.710,95%CI:0.527–0.893,P=0.034) and FzP3a(AUC=0.700,95%CI:0.519–0.881,P=0.041) exhibited moderate diagnostic efficacy for SAE,while FzMMN amplitude lacks effective diagnostic value.CONCLUSION:In this pilot study,ERP components F3P3a and FzP3a amplitudes demonstrated moderate diagnostic value for SAE.These exploratory findings require confirmation in larger and powered cohorts.展开更多
Inorganic perovskites,a class of materials with the general formula ABX3,exhibit a wide range of electronic,dielectric,and structural properties,making them pivotal in energy,electronics,and catalysis applications.Acc...Inorganic perovskites,a class of materials with the general formula ABX3,exhibit a wide range of electronic,dielectric,and structural properties,making them pivotal in energy,electronics,and catalysis applications.Accurate atomistic simulations of these materials require accurate interatomic potentials that capture both short-range and long-range interactions.While first-principles methods are of high accuracy,empirical and machine learning potentials remain essential for large-scale simulations.This survey categorizes and reviews the atomic potentials used in inorganic perovskite modeling based on how they treat electrostatic interactions:potentials without charges,potentials with constant charges,and potentials with variable charges.Given the ionic nature of perovskites,we emphasize the importance of charge treatment,and each class of potentials is discussed in detail with representative examples,functional forms,and application scenarios.For comparison,we perform molecular dynamics simulations to calculate the critical temperature for the phase transition of the perovskite CsPbI_(3) with available empirical potentials,highlighting their strengths and limitations in capturing structural evolution.Finally,we outline future directions for developing more accurate and transferable atomic potentials for inorganic perovskites.We hope that this review can serve as a guiding resource for researchers who are starting to perform simulations for inorganic perovskites.展开更多
All-solid-state batteries(ASSBs)represent a next-generation energy storage technology,offering enhanced safety,higher energy density,and improved cycling stability compared to conventional liquid-electrolyte-based lit...All-solid-state batteries(ASSBs)represent a next-generation energy storage technology,offering enhanced safety,higher energy density,and improved cycling stability compared to conventional liquid-electrolyte-based lithium-ion batteries.Understanding and optimizing the complex chemistries and interfaces that underpin ASSB performance present significant challenges from both experimental and modeling perspectives.In particular,atomistic simulations face difficulties in capturing the complex structure,disorder,and dynamic evolution of materials and interfaces under practically relevant conditions.While established methods such as density functional theory and classical force fields have provided valuable insights,some questions remain difficult to address,particularly those involving large system sizes or long timescales.Recently,machine learning interatomic potentials(MLIPs)have emerged as a transformative tool,enabling atomistic simulations at length and time scales that were previously challenging to access with conventional approaches.By delivering near first-principles accuracy with much greater efficiency,MLIPs open new avenues for large-scale,long-timescale,and high-throughput simulations of solid-state battery materials.In this review,we present a comparative overview of density functional theory,classical force fields,and MLIPs,highlighting their respective strengths and limitations in ASSB research.We then discuss how MLIPs enable simulations that reach longer timescales,larger system sizes,and support high-throughput calculations,providing unique insights into ion transport and interfacial evolution in ASSBs.Finally,we conclude with a summary and outlook on current challenges and future opportunities for expanding MLIP capabilities and accelerating their impact in solid-state battery research.展开更多
OBJECTIVE:To examine the differences in cognitive processing between patients with mild cognitive impairment(MCI)of different Traditional Chinese Medicine(TCM)syndrome types to provide evidence supporting the TCM typi...OBJECTIVE:To examine the differences in cognitive processing between patients with mild cognitive impairment(MCI)of different Traditional Chinese Medicine(TCM)syndrome types to provide evidence supporting the TCM typing of MCI.METHODS:Participants were screened using a battery of scales for spleen and kidney deficiency(SKD)/liver Qi stagnation(LQS)-type MCI or those without syndrome or normal control(NC).Following sex,age,and educational matching,behavioral and electroencephalographic data were recorded using the verbal N-back experimental paradigm.The data were then analyzed and compared with respect to the reaction time and correctness of the participants in each group,as well as the amplitude and latency of the event-related potential(ERP)components of P2,N2,and P3.RESULTS:There were no statistically significant differences in the accuracy or reaction times of the behavioral data of the groups.Regarding ERP data,the SKD group had a shorter P2 latency than the LQS and NC groups,while the latter two groups did not differ statistically.The SKD group had a shorter N2 latency than the NC group,while the SKD group did not differ from the LQS group.The SKD and LQS groups had a shorter P3 latency than the NC group.CONCLUSION:Our study offers objective evidence of the distinction between the types of TCM syndrome.Different types of TCM syndromes produce different disease mechanisms,resulting in brain damage with different presentations of cognitive impairment and cognitive processing characteristics.展开更多
This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its i...This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its impact and importance.180 respondents from the Dukagjin region participated in this study,and the quantitative method was used as a methodology.The measurement instrument consisted of 30 closed questions,which aimed to collect detailed information on the potential of natural tourism in this area.The study results showed that mountain,cultural,winter,healing,and rural tourism are especially important for developing the Dukagjin region.Furthermore,the analysis shows that 30%of the tourism potential is explained by rural tourism,underlining its importance in the local economy.Finally,the study’s findings are discussed,emphasizing their practical value for promoting and developing sustainable tourism in the region.展开更多
BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influenc...BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influencing attention bias,specifically identifying the aspects of attention processes affected by hypnosis.METHODS In this study,69 SAD participants were divided into three groups based on their Liebowitz Social Anxiety Scale scores:Experimental group,control group,and baseline group.The experimental group(n=23)underwent six weekly hypnosis sessions,while the control(n=23)and baseline groups(n=23)received no treatment.To evaluate alterations in SAD severity and attention bias towards threatening stimuli following hypnotherapy,we employed a combination of self-report questionnaires,an odd-one-out task,and electroencephalography recordings.RESULTS The experimental group showed significant reductions in P1,N170,N2pc,and late positive potential(LPP)brain wave activities during attention sensitivity and disengagement conditions.This indicates that hypnotherapy modulates early-stage face processing and later-stage emotional evaluation of threat-related stimuli in SAD patients.CONCLUSION Our findings highlight P1,N170,N2pc,and LPP as key neural markers in SAD treatment.By identifying these neural markers influenced by hypnotherapy,we offer insight into the mechanisms by which this treatment modality impacts attentional processes,potentially easing SAD symptoms.展开更多
Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuc...Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuclear potentials in spherical coordinate space.The shooting method was used with a Runge–Kutta 4 integration scheme.The potentials are parameterized in a Woods–Saxon form,which reproduce well the known single-particle states around all doubly magic nuclei and can be applied to study the shell evolution of exotic nuclei.The code can be easily extended to the study of other systems,including atomic,hadron,and molecular physics.展开更多
Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of e...Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of exact solutions to the equations of motion of atoms in a body-centered cubic(bcc)lattice is analyzed.These solutions take the form of delocalized nonlinear vibrational modes(DNVMs)and can serve as an excellent test of the accuracy of the interatomic potentials used in MD modeling for bcc crystals.The accuracy of the potentials can be checked by comparing the frequency response of DNVMs calculated using this or that interatomic potential with that calculated using the more accurate ab initio approach.DNVMs can also be used to train new,more accurate machine learning potentials for bcc metals.To address the above issues,it is important to analyze the properties of DNVMs,which is the main goal of this work.Considering only the point symmetry groups of the bcc lattice,34 DNVMs are found.Since interatomic potentials are not used in finding DNVMs,they are exact solutions for any type of potential.Here,the simplest interatomic potentials with cubic anharmonicity are used to simplify the analysis and to obtain some analytical results.For example,the dispersion relations for small-amplitude phonon modes are derived,taking into account interactions between up to the fourth nearest neighbor.The frequency response of the DNVMs is calculated numerically,and for some DNVMs examples of analytical analysis are given.The energy stored by the interatomic bonds of different lengths is calculated,which is important for testing interatomic potentials.The pros and cons of using DNVMs to test and improve interatomic potentials for metals are discussed.Since DNVMs are the natural vibrational modes of bcc crystals,any reliable interatomic potential must reproduce their properties with reasonable accuracy.展开更多
We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The...We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The free-electron contribution is described by the Maynard–Deutsch–Zimmerman formula,and the bound-electron contribution relies on the Bethe formula with corrections,in particular taking into account density and shell effects.The results of the bound-state computation using three different parametric potentials are investigated within the Garbet formalism for the mean excitation energy.The first parametric potential is due to Green,Sellin,and Zachor,the second one was proposed by Yunta,and the third one was introduced by Klapisch in the framework of atomic-structure computations.The results are compared with those of self-consistent average-atom calculations.This approach correctly bridges the limits of neutral and fully ionized matter.展开更多
The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacem...The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacement is to lose body weight,whether patients with obesity,diabetes,fatty liver,infertile or pregnant women can benefit from weight loss.In addition,MRs still exhibit more biomedical potential in preventing and treating diseases,like anti-diabetes,improving fatty liver and kidney disease,preventing cancer,conceiving and reducing pregnancy complications,and improving life quality.Indeed,there are also disadvantages to meal replacement,including causing adverse effects,although most are acceptable and tolerated.To date,various commercially-developed MRs are walking from dining table to sickbed.Therefore,a scientific understanding of the advantages and disadvantages of meal replacements is crucial for their extensive application beyond biomedical potentials.展开更多
Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensat...Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensates.In scenarios where the spin-independent parameter c_(0)and the spin-dependent parameter c_(2)vary,we use both analytical and numerical methods to investigate the three-coupled nonlinear Gross-Pitaevskii equations with PT-symmetric generalized Scarf-Ⅱpotentials.We obtain analytical soliton states and find that simply modulating c_(2)may change the analytical soliton states from unstable to stable.Additionally,we obtain numerically stable double-hump soliton states propagating in the form of periodic oscillations,exhibiting distinct behavior in energy exchange.For further investigation,we discuss the interaction of numerical double-hump solitons with Gaussian solitons and observe the transfer of energy among the three components.These findings may contribute to a deeper understanding of solitons in Bose-Einstein condensates with PT-symmetric potentials and may hold significance for both theoretical understanding and experimental design in related physics experiments.展开更多
Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a ...Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a physically inspired invariant message passing neural network,which was designed for systems with a limited number of elements.It is efficient but hardly transferable to more complex multi-element systems.In this work,we release REANN 2.0 aimed at multi-element systems and universal potentials,which integrates element embedding and equivariant representation.Compared to the first version,REANN 2.0 demonstrates enhanced ele-ment transferability and higher accuracy across various periodic systems with higher efficiency.Built upon this framework,a pre-trained REANN-MPtrj model without fine-tuning accurately predicts the lithium-ion diffusion dynamics in a benchmark solid-state electrolyte Li_(3)YCl_(6).We hope this open-source software package will facilitate the development of computationally efficient universal potentials in the future.展开更多
We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and co...We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and coordinate spaces.Our calculation is based on the four-point Green's function rather than the scattering amplitude.Among the sixteen potential components,eight that vanish in the non-relativistic limit are shown to acquire nonzero relativistic and off-shell corrections.In addition to providing relativistic and off-shell corrections to the operator basis commonly used in the literature,we introduce an alternative operator basis that facilitates the derivation of interaction potentials in the coordinate space.Furthermore,we calculate both the long-range and short-range components of the potentials,which can be useful for future experimental analyses at both macroscopic and atomic scales.展开更多
Alloy nanoparticles exhibit unique properties that significantly differentiate them from their bulk counterparts,making them crucial for catalytic applications.However,the design of functional nanoparticles is often c...Alloy nanoparticles exhibit unique properties that significantly differentiate them from their bulk counterparts,making them crucial for catalytic applications.However,the design of functional nanoparticles is often constrained by the challenge of accurately predicting their stability,especially at large scales,where traditional ab initio methods are limited by computational demands.To overcome this,we introduce a novel method for predicting the thermodynamic stability and chemical ordering of alloy nanoparticles,utilizing the machine-learned moment tensor potential(MTP) integrated with active learning techniques.This approach allows precise assessment of the energetics of alloy nanoparticles regardless of morphology and remains scalable to experimental sizes,maintaining an optimal balance between computational efficiency and accuracy.The effectiveness of our method was demonstrated through its ability to predict the groundstate configurations of alloy spherical nanoparticles(SNPs),which is consistent with experimental results.In particular,the machine-learned MTP model enables a thorough investigation of the thermodynamic stability of SNPs and accurate prediction of the chemical ordering of SNPs depending on the type and composition ratio of the binary alloy systems.Consequently,this work not only highlights the superior performance of our approach over traditional computational methods for modeling large nanoparticles but also establishes a systematic approach for evaluating the stability of nanoparticles at full scale.We believe that our findings will pave the way for more reliable and scalable predictions in nanoparticle research and potentially accelerate the development of novel nanoparticle-based technologies.展开更多
Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier...Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier heights were well reproduced with a root-mean-square(RMS)error of 1.53 MeV,and the RMS deviations with respect to 144 time-dependent Hartree-Fock capture barrier heights were only 1.05 MeV.Coupled with the Siwek-Wilczyński formula,wherein three parameters were determined by the proposed effective potentials,the measured capture cross sections at energies around the barriers were reasonably well reproduced for several fusion reactions induced by nearly spherical nuclei as well as by nuclei with large deformations,such as^(154)Sm and^(238)U.The shallow capture pockets and small values of the average barrier radii resulted in the reduction of the capture cross sections for 52,54Cr-and 64 Ni-induced reactions,which were related to the synthesis of new super-heavy nuclei.展开更多
The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realizatio...The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realization of new physical phenomena through the tuning of electron–electron interactions.In this work,the effect of the moiré superlattice formed between the substrate and the bottom quintuple layer(QL)of 3-and 4-QL three-dimensional(3D)topological insulator Sb_(2)Te_(3) thin films on the top surface states is investigated.The scanning tunneling spectra reveal that the bulk-like bands exhibit potential variations consistent with the moirépattern.In contrast,the surface states display only minimal potential variations,resulting in the absence of mini-band formation in the top surface states.These surface states remain nearly unaffected,as confirmed by Landau-level spectroscopy and simulations.The results suggest distinct roles of the bottom-surface moirépotential on the bulk states and the top surface states in the weak coupling regime between the two surfaces.展开更多
Objective To compare the event-related potentials （ERPs） waves of verbs and prepositions in the brain. Methods We recorded ERPs in the brain while participants judged the legality of the collocation for verbs and ＂...Objective To compare the event-related potentials （ERPs） waves of verbs and prepositions in the brain. Methods We recorded ERPs in the brain while participants judged the legality of the collocation for verbs and ＂preposition＂. Results Both verbs and prepositions elicited a negativity at the frontal site in 230-330 ms and 350-500 ms window. No difference was seen in 230-330 ms and 350-500 ms window; In difference waves, a negativity was elicited in the left and fight hemisphere at about 270-400 ms and 470-600 ms window for both open and closed-class words. Conclusion These may demonstrate that prepositions in modem Chinese are probably not a separate class from verbs and that N280 may be not a specific component for only prepositions （or closed-class words）.展开更多
Objective:To investigate the effects of conductive hearing loss (CHL) on vestibular evoked myogenic potentials (VEMPs) using a simulated CHL model, and to provide the basis for future studies. Methods:Twenty-one healt...Objective:To investigate the effects of conductive hearing loss (CHL) on vestibular evoked myogenic potentials (VEMPs) using a simulated CHL model, and to provide the basis for future studies. Methods:Twenty-one healthy subjects were recruited in this study. We measured ocular VEMPs (oVEMPs) and cervical VEMPs (cVEMPs) in these subjects by air-conduction sound (ACS) stimulation. CHL was simulated later by blocking the right external auditory canal with a soundproof earplug to evaluate its impacts on VEMPs. Subjects' responses before simulated CHL served as the control, and were compared to their responses following simulated CHL. Results: oVEMPs following simulated CHL showed decreased response rate, elevated thresholds, attenuated amplitudes and prolonged N1 latencies compared with those before simulated CHL, and the differences were statistically significant. Similarly, cVEMPs following simulated CHL also showed decreased response rate, elevated thresholds and attenuated amplitudes, with prolonged P1 latencies compared with those before simulated CHL, although only differences in response rate, threshold and amplitude were significant. Conclusions:Conductive hearing loss affects the response rate and other response parameters in oVEMPs and cVEMPs.展开更多
Effects of meta-substituent of 3,4＇/4,3＇/3,3＇-substituted benzylideneanilines （XBAYs） on the electrochemical reduction potentials （E（Red）） were investigated, in which 49 samples of target compounds were synth...Effects of meta-substituent of 3,4＇/4,3＇/3,3＇-substituted benzylideneanilines （XBAYs） on the electrochemical reduction potentials （E（Red）） were investigated, in which 49 samples of target compounds were synthesized, and their reduction potentials were measured by cyclic voltammetry. The substituent effects on the E（Red） of target compounds were analyzed and an optimality equation with four parameters （Hammett constant a of X, Hammett constant a of Y, excited-state substituent constant σexCC of X, and the substituent specific cross-interaction effect △σexCC2 between X and Y） was obtained. The results show that the factors affecting the E（Red） of 3,4＇/4,31/3,3P-substituted XBAYs are different from those of 4,4＇-substituted XBAYs. For 3,4＇/4,3＇/3,3＇-substituted XBAYs, σ（X） and σ（Y） must be employed, and the contribution of △σexCC2 is important and not negligible. Compared with 4,4＇-substituted XBAYs, X group contributes less to 3,4＇/4,3＇/3,3＇-substituted XBAYs, while Y group contributes more to them. Additionally, it was observed that either para-substituted XBAYs or meta-substituted XBAYs, the substituent effects of X are larger than those of Y on the E（Red） of substituted XBAYs.展开更多
We observed the steady-state visually evoked potential(SSVEP) from a healthy subject using a compact quad-channel potassium spin exchange relaxation-free(SERF) optically pumped magnetometer(OPM). To this end, 30 s of ...We observed the steady-state visually evoked potential(SSVEP) from a healthy subject using a compact quad-channel potassium spin exchange relaxation-free(SERF) optically pumped magnetometer(OPM). To this end, 30 s of data were collected, and SSVEP-related magnetic responses with signal intensity ranging from 150 fT to 300 f T were observed for all four channels. The corresponding signal to noise ratio(SNR) was in the range of 3.5–5.5. We then used different channels to operate the sensor as a gradiometer. In the specific case of detecting SSVEP, we noticed that the short channel separation distance led to a strongly diminished gradiometer signal. Although not optimal for the case of SSVEP detection, this set-up can prove to be highly useful for other magnetoencephalography(MEG) paradigms that require good noise cancellation.Considering its compactness, low cost, and good performance, the K-SERF sensor has great potential for biomagnetic field measurements and brain-computer interfaces(BCI).展开更多
基金supported by the CAMS Innovation Fund for Medical Sciences (CIFMS)(No.2021-1-I2M-020)National High Level Hospital Clinical Research Funding (No.2022-PUMCH-B-109)National Natural Science Foundation of China (82402543)。
文摘BACKGROUND:Although the Confusion Assessment Methods for the Intensive Care Unit(CAMICU) is a recommended tool for diagnosing sepsis-associated encephalopathy(SAE),it has several limitations.Mismatch-negativity(MMN) and P3a are components of event-related potentials(ERPs) used with electroencephalography(EEG) and are associated with cerebral function changes in critically ill patients.This study aimed to provide a quantitative,non-invasive method to guide SAE diagnosis in nonsedated patients.METHODS:From January 2022 to March 2023,sepsis patients without sedation were enrolled and assessed via the CAM-ICU,Glasgow Coma Scale(GCS),and ERP under standard procedures.Both MMN and P3a data were collected.The diagnostic value of MMN and P3a was assessed with processed ERP data.RESULTS:Thirty-six patients were included in this study,comprising 19 patients with SAE and 17 patients without SAE(NSAE).MMN and P3a amplitudes decreased,and only FzMMN amplitude significantly decreased in SAE patients(2.03 [1.08,2.93] mV vs.3.21 [1.92,4.34] mV,P=0.040).After median dichotomization,low F3P3a and FzP3a amplitudes were associated with higher CAM-ICU positivity rates and APACHE II scores.Both amplitude in F3P3a(AUC=0.710,95%CI:0.527–0.893,P=0.034) and FzP3a(AUC=0.700,95%CI:0.519–0.881,P=0.041) exhibited moderate diagnostic efficacy for SAE,while FzMMN amplitude lacks effective diagnostic value.CONCLUSION:In this pilot study,ERP components F3P3a and FzP3a amplitudes demonstrated moderate diagnostic value for SAE.These exploratory findings require confirmation in larger and powered cohorts.
基金supported by the National Natural Science Foundation of China(Grant Nos.12072182 and 12421002).
文摘Inorganic perovskites,a class of materials with the general formula ABX3,exhibit a wide range of electronic,dielectric,and structural properties,making them pivotal in energy,electronics,and catalysis applications.Accurate atomistic simulations of these materials require accurate interatomic potentials that capture both short-range and long-range interactions.While first-principles methods are of high accuracy,empirical and machine learning potentials remain essential for large-scale simulations.This survey categorizes and reviews the atomic potentials used in inorganic perovskite modeling based on how they treat electrostatic interactions:potentials without charges,potentials with constant charges,and potentials with variable charges.Given the ionic nature of perovskites,we emphasize the importance of charge treatment,and each class of potentials is discussed in detail with representative examples,functional forms,and application scenarios.For comparison,we perform molecular dynamics simulations to calculate the critical temperature for the phase transition of the perovskite CsPbI_(3) with available empirical potentials,highlighting their strengths and limitations in capturing structural evolution.Finally,we outline future directions for developing more accurate and transferable atomic potentials for inorganic perovskites.We hope that this review can serve as a guiding resource for researchers who are starting to perform simulations for inorganic perovskites.
文摘All-solid-state batteries(ASSBs)represent a next-generation energy storage technology,offering enhanced safety,higher energy density,and improved cycling stability compared to conventional liquid-electrolyte-based lithium-ion batteries.Understanding and optimizing the complex chemistries and interfaces that underpin ASSB performance present significant challenges from both experimental and modeling perspectives.In particular,atomistic simulations face difficulties in capturing the complex structure,disorder,and dynamic evolution of materials and interfaces under practically relevant conditions.While established methods such as density functional theory and classical force fields have provided valuable insights,some questions remain difficult to address,particularly those involving large system sizes or long timescales.Recently,machine learning interatomic potentials(MLIPs)have emerged as a transformative tool,enabling atomistic simulations at length and time scales that were previously challenging to access with conventional approaches.By delivering near first-principles accuracy with much greater efficiency,MLIPs open new avenues for large-scale,long-timescale,and high-throughput simulations of solid-state battery materials.In this review,we present a comparative overview of density functional theory,classical force fields,and MLIPs,highlighting their respective strengths and limitations in ASSB research.We then discuss how MLIPs enable simulations that reach longer timescales,larger system sizes,and support high-throughput calculations,providing unique insights into ion transport and interfacial evolution in ASSBs.Finally,we conclude with a summary and outlook on current challenges and future opportunities for expanding MLIP capabilities and accelerating their impact in solid-state battery research.
基金Supported by National Natural Science Foundation of China-funded Project:Study on Mechanism of“Smoothing The Liver Therapy”on Working Memory of the Patients with Mild Cognitive Impairment Caused by Negative Emotion Regulation(No.81473556)Effects and Mechanism of Liver’s Failing to Facilitate the Coursing of Qi on Decline Process of Cognitive Function of Normal People and Patients with MCI(No.81873208)。
文摘OBJECTIVE:To examine the differences in cognitive processing between patients with mild cognitive impairment(MCI)of different Traditional Chinese Medicine(TCM)syndrome types to provide evidence supporting the TCM typing of MCI.METHODS:Participants were screened using a battery of scales for spleen and kidney deficiency(SKD)/liver Qi stagnation(LQS)-type MCI or those without syndrome or normal control(NC).Following sex,age,and educational matching,behavioral and electroencephalographic data were recorded using the verbal N-back experimental paradigm.The data were then analyzed and compared with respect to the reaction time and correctness of the participants in each group,as well as the amplitude and latency of the event-related potential(ERP)components of P2,N2,and P3.RESULTS:There were no statistically significant differences in the accuracy or reaction times of the behavioral data of the groups.Regarding ERP data,the SKD group had a shorter P2 latency than the LQS and NC groups,while the latter two groups did not differ statistically.The SKD group had a shorter N2 latency than the NC group,while the SKD group did not differ from the LQS group.The SKD and LQS groups had a shorter P3 latency than the NC group.CONCLUSION:Our study offers objective evidence of the distinction between the types of TCM syndrome.Different types of TCM syndromes produce different disease mechanisms,resulting in brain damage with different presentations of cognitive impairment and cognitive processing characteristics.
文摘This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its impact and importance.180 respondents from the Dukagjin region participated in this study,and the quantitative method was used as a methodology.The measurement instrument consisted of 30 closed questions,which aimed to collect detailed information on the potential of natural tourism in this area.The study results showed that mountain,cultural,winter,healing,and rural tourism are especially important for developing the Dukagjin region.Furthermore,the analysis shows that 30%of the tourism potential is explained by rural tourism,underlining its importance in the local economy.Finally,the study’s findings are discussed,emphasizing their practical value for promoting and developing sustainable tourism in the region.
基金Supported by National Natural Science Foundation of China,No.82090034the Key Laboratory of Philosophy and Social Science of Anhui Province on Adolescent Mental Health and Crisis Intelligence Intervention,No.SYS2023B08the Anhui Natural Science Foundation,No.2023AH040086.
文摘BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influencing attention bias,specifically identifying the aspects of attention processes affected by hypnosis.METHODS In this study,69 SAD participants were divided into three groups based on their Liebowitz Social Anxiety Scale scores:Experimental group,control group,and baseline group.The experimental group(n=23)underwent six weekly hypnosis sessions,while the control(n=23)and baseline groups(n=23)received no treatment.To evaluate alterations in SAD severity and attention bias towards threatening stimuli following hypnotherapy,we employed a combination of self-report questionnaires,an odd-one-out task,and electroencephalography recordings.RESULTS The experimental group showed significant reductions in P1,N170,N2pc,and late positive potential(LPP)brain wave activities during attention sensitivity and disengagement conditions.This indicates that hypnotherapy modulates early-stage face processing and later-stage emotional evaluation of threat-related stimuli in SAD patients.CONCLUSION Our findings highlight P1,N170,N2pc,and LPP as key neural markers in SAD treatment.By identifying these neural markers influenced by hypnotherapy,we offer insight into the mechanisms by which this treatment modality impacts attentional processes,potentially easing SAD symptoms.
文摘Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuclear potentials in spherical coordinate space.The shooting method was used with a Runge–Kutta 4 integration scheme.The potentials are parameterized in a Woods–Saxon form,which reproduce well the known single-particle states around all doubly magic nuclei and can be applied to study the shell evolution of exotic nuclei.The code can be easily extended to the study of other systems,including atomic,hadron,and molecular physics.
基金support of the RSF Grant No.24-11-00139(analytics,numerical results,manuscript writing)Daxing Xiong acknowledges the support of the NNSF Grant No.12275116,the NSF Grant No.2021J02051,and the startup fund Grant No.MJY21035For Aleksey A.Kudreyko,this work was supported by the Bashkir StateMedicalUniversity StrategicAcademic Leadership Program(PRIORITY-2030)(analytics).
文摘Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of exact solutions to the equations of motion of atoms in a body-centered cubic(bcc)lattice is analyzed.These solutions take the form of delocalized nonlinear vibrational modes(DNVMs)and can serve as an excellent test of the accuracy of the interatomic potentials used in MD modeling for bcc crystals.The accuracy of the potentials can be checked by comparing the frequency response of DNVMs calculated using this or that interatomic potential with that calculated using the more accurate ab initio approach.DNVMs can also be used to train new,more accurate machine learning potentials for bcc metals.To address the above issues,it is important to analyze the properties of DNVMs,which is the main goal of this work.Considering only the point symmetry groups of the bcc lattice,34 DNVMs are found.Since interatomic potentials are not used in finding DNVMs,they are exact solutions for any type of potential.Here,the simplest interatomic potentials with cubic anharmonicity are used to simplify the analysis and to obtain some analytical results.For example,the dispersion relations for small-amplitude phonon modes are derived,taking into account interactions between up to the fourth nearest neighbor.The frequency response of the DNVMs is calculated numerically,and for some DNVMs examples of analytical analysis are given.The energy stored by the interatomic bonds of different lengths is calculated,which is important for testing interatomic potentials.The pros and cons of using DNVMs to test and improve interatomic potentials for metals are discussed.Since DNVMs are the natural vibrational modes of bcc crystals,any reliable interatomic potential must reproduce their properties with reasonable accuracy.
文摘We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The free-electron contribution is described by the Maynard–Deutsch–Zimmerman formula,and the bound-electron contribution relies on the Bethe formula with corrections,in particular taking into account density and shell effects.The results of the bound-state computation using three different parametric potentials are investigated within the Garbet formalism for the mean excitation energy.The first parametric potential is due to Green,Sellin,and Zachor,the second one was proposed by Yunta,and the third one was introduced by Klapisch in the framework of atomic-structure computations.The results are compared with those of self-consistent average-atom calculations.This approach correctly bridges the limits of neutral and fully ionized matter.
基金funded by the National Natural Science Foundation of China(82070877)the CAMS Innovation Fund for Medical Sciences(CIFMS)(2021-I2M-1-028,2021-I2M-1-005)the International Cooperation Project of Qinghai Province(2020-HZ-803)。
文摘The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacement is to lose body weight,whether patients with obesity,diabetes,fatty liver,infertile or pregnant women can benefit from weight loss.In addition,MRs still exhibit more biomedical potential in preventing and treating diseases,like anti-diabetes,improving fatty liver and kidney disease,preventing cancer,conceiving and reducing pregnancy complications,and improving life quality.Indeed,there are also disadvantages to meal replacement,including causing adverse effects,although most are acceptable and tolerated.To date,various commercially-developed MRs are walking from dining table to sickbed.Therefore,a scientific understanding of the advantages and disadvantages of meal replacements is crucial for their extensive application beyond biomedical potentials.
基金supported by NSFC under Grant No.12272403Beijing Training Program of Innovation under Grant No.S202410019024。
文摘Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensates.In scenarios where the spin-independent parameter c_(0)and the spin-dependent parameter c_(2)vary,we use both analytical and numerical methods to investigate the three-coupled nonlinear Gross-Pitaevskii equations with PT-symmetric generalized Scarf-Ⅱpotentials.We obtain analytical soliton states and find that simply modulating c_(2)may change the analytical soliton states from unstable to stable.Additionally,we obtain numerically stable double-hump soliton states propagating in the form of periodic oscillations,exhibiting distinct behavior in energy exchange.For further investigation,we discuss the interaction of numerical double-hump solitons with Gaussian solitons and observe the transfer of energy among the three components.These findings may contribute to a deeper understanding of solitons in Bose-Einstein condensates with PT-symmetric potentials and may hold significance for both theoretical understanding and experimental design in related physics experiments.
基金the support by the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB0450101)the National Natural Science Foundation of China(Nos.22325304,22221003 and 22033007)。
文摘Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a physically inspired invariant message passing neural network,which was designed for systems with a limited number of elements.It is efficient but hardly transferable to more complex multi-element systems.In this work,we release REANN 2.0 aimed at multi-element systems and universal potentials,which integrates element embedding and equivariant representation.Compared to the first version,REANN 2.0 demonstrates enhanced ele-ment transferability and higher accuracy across various periodic systems with higher efficiency.Built upon this framework,a pre-trained REANN-MPtrj model without fine-tuning accurately predicts the lithium-ion diffusion dynamics in a benchmark solid-state electrolyte Li_(3)YCl_(6).We hope this open-source software package will facilitate the development of computationally efficient universal potentials in the future.
基金funded in part by the National Natural Science Foundations of China under Grants Nos.12150013,12075058 and 11975090the Science Foundation of Hebei Normal University with Grant No.L2023B09。
文摘We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and coordinate spaces.Our calculation is based on the four-point Green's function rather than the scattering amplitude.Among the sixteen potential components,eight that vanish in the non-relativistic limit are shown to acquire nonzero relativistic and off-shell corrections.In addition to providing relativistic and off-shell corrections to the operator basis commonly used in the literature,we introduce an alternative operator basis that facilitates the derivation of interaction potentials in the coordinate space.Furthermore,we calculate both the long-range and short-range components of the potentials,which can be useful for future experimental analyses at both macroscopic and atomic scales.
基金financially supported by the National Research Foundation of Korea(No.RS-2024-00455177)the Ministry of Trade,Industry and Energy of Korea(No.P0022336)
文摘Alloy nanoparticles exhibit unique properties that significantly differentiate them from their bulk counterparts,making them crucial for catalytic applications.However,the design of functional nanoparticles is often constrained by the challenge of accurately predicting their stability,especially at large scales,where traditional ab initio methods are limited by computational demands.To overcome this,we introduce a novel method for predicting the thermodynamic stability and chemical ordering of alloy nanoparticles,utilizing the machine-learned moment tensor potential(MTP) integrated with active learning techniques.This approach allows precise assessment of the energetics of alloy nanoparticles regardless of morphology and remains scalable to experimental sizes,maintaining an optimal balance between computational efficiency and accuracy.The effectiveness of our method was demonstrated through its ability to predict the groundstate configurations of alloy spherical nanoparticles(SNPs),which is consistent with experimental results.In particular,the machine-learned MTP model enables a thorough investigation of the thermodynamic stability of SNPs and accurate prediction of the chemical ordering of SNPs depending on the type and composition ratio of the binary alloy systems.Consequently,this work not only highlights the superior performance of our approach over traditional computational methods for modeling large nanoparticles but also establishes a systematic approach for evaluating the stability of nanoparticles at full scale.We believe that our findings will pave the way for more reliable and scalable predictions in nanoparticle research and potentially accelerate the development of novel nanoparticle-based technologies.
基金supported by the National Natural Science Foundation of China(Nos.12265006,12375129,U1867212)the Innovation Project of Guangxi Graduate Education(No.YCSWYCSW2022176)the Guangxi Natural Science Foundation(2017GXNSFGA198001).
文摘Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier heights were well reproduced with a root-mean-square(RMS)error of 1.53 MeV,and the RMS deviations with respect to 144 time-dependent Hartree-Fock capture barrier heights were only 1.05 MeV.Coupled with the Siwek-Wilczyński formula,wherein three parameters were determined by the proposed effective potentials,the measured capture cross sections at energies around the barriers were reasonably well reproduced for several fusion reactions induced by nearly spherical nuclei as well as by nuclei with large deformations,such as^(154)Sm and^(238)U.The shallow capture pockets and small values of the average barrier radii resulted in the reduction of the capture cross sections for 52,54Cr-and 64 Ni-induced reactions,which were related to the synthesis of new super-heavy nuclei.
基金the supporting from the National Key R&D Program of China(Grant No.2022YFA1403102)the National Natural Science Foundation of China(Grant Nos.12474478,92065102,and 12574094)。
文摘The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realization of new physical phenomena through the tuning of electron–electron interactions.In this work,the effect of the moiré superlattice formed between the substrate and the bottom quintuple layer(QL)of 3-and 4-QL three-dimensional(3D)topological insulator Sb_(2)Te_(3) thin films on the top surface states is investigated.The scanning tunneling spectra reveal that the bulk-like bands exhibit potential variations consistent with the moirépattern.In contrast,the surface states display only minimal potential variations,resulting in the absence of mini-band formation in the top surface states.These surface states remain nearly unaffected,as confirmed by Landau-level spectroscopy and simulations.The results suggest distinct roles of the bottom-surface moirépotential on the bulk states and the top surface states in the weak coupling regime between the two surfaces.
基金the National Social Science Foundation of China （No. 03BYY013） the Science Foundation of Jiangsu Province （No. QL200504）.
文摘Objective To compare the event-related potentials （ERPs） waves of verbs and prepositions in the brain. Methods We recorded ERPs in the brain while participants judged the legality of the collocation for verbs and ＂preposition＂. Results Both verbs and prepositions elicited a negativity at the frontal site in 230-330 ms and 350-500 ms window. No difference was seen in 230-330 ms and 350-500 ms window; In difference waves, a negativity was elicited in the left and fight hemisphere at about 270-400 ms and 470-600 ms window for both open and closed-class words. Conclusion These may demonstrate that prepositions in modem Chinese are probably not a separate class from verbs and that N280 may be not a specific component for only prepositions （or closed-class words）.
基金supported by grants from the National Natural Science Foundation of China, China (No. 81670945, 81541040)Fundamental Research Funds for the Central Universities, China (No. 2012jdhz13)+1 种基金Shaanxi Major International Cooperative Project, China (No. 2013KW-28)Key Science and Technology Program of Xi'an, China (No. SF1315(1))
文摘Objective:To investigate the effects of conductive hearing loss (CHL) on vestibular evoked myogenic potentials (VEMPs) using a simulated CHL model, and to provide the basis for future studies. Methods:Twenty-one healthy subjects were recruited in this study. We measured ocular VEMPs (oVEMPs) and cervical VEMPs (cVEMPs) in these subjects by air-conduction sound (ACS) stimulation. CHL was simulated later by blocking the right external auditory canal with a soundproof earplug to evaluate its impacts on VEMPs. Subjects' responses before simulated CHL served as the control, and were compared to their responses following simulated CHL. Results: oVEMPs following simulated CHL showed decreased response rate, elevated thresholds, attenuated amplitudes and prolonged N1 latencies compared with those before simulated CHL, and the differences were statistically significant. Similarly, cVEMPs following simulated CHL also showed decreased response rate, elevated thresholds and attenuated amplitudes, with prolonged P1 latencies compared with those before simulated CHL, although only differences in response rate, threshold and amplitude were significant. Conclusions:Conductive hearing loss affects the response rate and other response parameters in oVEMPs and cVEMPs.
文摘Effects of meta-substituent of 3,4＇/4,3＇/3,3＇-substituted benzylideneanilines （XBAYs） on the electrochemical reduction potentials （E（Red）） were investigated, in which 49 samples of target compounds were synthesized, and their reduction potentials were measured by cyclic voltammetry. The substituent effects on the E（Red） of target compounds were analyzed and an optimality equation with four parameters （Hammett constant a of X, Hammett constant a of Y, excited-state substituent constant σexCC of X, and the substituent specific cross-interaction effect △σexCC2 between X and Y） was obtained. The results show that the factors affecting the E（Red） of 3,4＇/4,31/3,3P-substituted XBAYs are different from those of 4,4＇-substituted XBAYs. For 3,4＇/4,3＇/3,3＇-substituted XBAYs, σ（X） and σ（Y） must be employed, and the contribution of △σexCC2 is important and not negligible. Compared with 4,4＇-substituted XBAYs, X group contributes less to 3,4＇/4,3＇/3,3＇-substituted XBAYs, while Y group contributes more to them. Additionally, it was observed that either para-substituted XBAYs or meta-substituted XBAYs, the substituent effects of X are larger than those of Y on the E（Red） of substituted XBAYs.
基金Project supported by the National Key Research and Development Program of China(Grant Nos.2016YFA0300600 and 2016YFA0301500)the Strategic Priority Research Program of Chinese Academy of Sciences(Grant Nos.XDB07030000 and XDBS32000000)+1 种基金the National Natural Science Foundation of China(Grant Nos.11474347 and 31730039)the Fund from the Ministry of Science and Technology of China(Grant No.2015CB351701)
文摘We observed the steady-state visually evoked potential(SSVEP) from a healthy subject using a compact quad-channel potassium spin exchange relaxation-free(SERF) optically pumped magnetometer(OPM). To this end, 30 s of data were collected, and SSVEP-related magnetic responses with signal intensity ranging from 150 fT to 300 f T were observed for all four channels. The corresponding signal to noise ratio(SNR) was in the range of 3.5–5.5. We then used different channels to operate the sensor as a gradiometer. In the specific case of detecting SSVEP, we noticed that the short channel separation distance led to a strongly diminished gradiometer signal. Although not optimal for the case of SSVEP detection, this set-up can prove to be highly useful for other magnetoencephalography(MEG) paradigms that require good noise cancellation.Considering its compactness, low cost, and good performance, the K-SERF sensor has great potential for biomagnetic field measurements and brain-computer interfaces(BCI).
