基于密度泛函理论研究Ag-Co团簇的结构、电子和光学性能

基于密度泛函理论研究了7个原子Ag-Co团簇结构的稳定性、电子和光学性能.研究结果表明,7个原子Ag-Co团簇的最稳定结构都是十面体结构,Co原子数量较少时,Co原子主要占据十面体的轴向位,Ag原子主要占据赤道位,随着Co原子数的增加,Co原子逐渐替换了赤道位上的Ag原子.当Co原子数增加时,Ag-Co团簇的垂直电离势、垂直电子亲能和最高占据轨道与最低未占据轨道之间的能隙整体上都呈现出下降趋势,表明电子稳定性降低;Ag-Co团簇的吸收光谱整体出现了红移,吸收峰的强度逐渐减弱,吸收谱的宽度变窄.

Modeling time-dependent mechanical behavior of hard rock considering excavation-induced damage and complex 3D stress states

To investigate the long-term stability of deep rocks,a three-dimensional(3D)time-dependent model that accounts for excavation-induced damage and complex stress state is developed.This model comprises three main components:a 3D viscoplastic isotropic constitutive relation that considers excavation damage and complex stress state,a quantitative relationship between critical irreversible deformation and complex stress state,and evolution characteristics of strength parameters.The proposed model is implemented in a self-developed numerical code,i.e.CASRock.The reliability of the model is validated through experiments.It is indicated that the time-dependent fracturing potential index(xTFPI)at a given time during the attenuation creep stage shows a negative correlation with the extent of excavationinduced damage.The time-dependent fracturing process of rock demonstrates a distinct interval effect of the intermediate principal stress,thereby highlighting the 3D stress-dependent characteristic of the model.Finally,the influence of excavation-induced damage and intermediate principal stress on the time-dependent fracturing characteristics of the surrounding rocks around the tunnel is discussed.

Three-dimensional magnetic reconnection in complex multiple X-point configurations in an ancient solar-lunar terrestrial system

Magnetic reconnection processes in three-dimensional(3D)complex field configurations have been investigated in different magneto-plasma systems in space,laboratory,and astrophysical systems.Two-dimensional(2D)features of magnetic reconnection have been well developed and applied successfully to systems with symmetrical property,such as toroidal fusion plasmas and laboratory experiments with an axial symmetry.But in asymmetric systems,the 3D features are inevitably different from those in the 2D case.Magnetic reconnection structures in multiple celestial body systems,particularly star-planet-Moon systems,bring fresh insights to the understanding of the 3D geometry of reconnection.Thus,we take magnetic reconnection in an ancient solar-lunar terrestrial magneto-plasma system as an example by using its crucial parameters approximately estimated already and also some specific applications in pathways for energy and matter transports among Earth,ancient Moon,and the interplanetary magnetic field(IMF).Then,magnetic reconnection of the ancient lunar-terrestrial magnetospheres with the IMF is investigated numerically in this work.In a 3D simulation for the Earth-Moon-IMF system,topological features of complex magnetic reconnection configurations and dynamical characteristics of magnetic reconnection processes are studied.It is found that a coupled lunar-terrestrial magnetosphere is formed,and under various IMF orientations,multiple X-points emerge at distinct locations,showing three typical magnetic reconnection structures in such a geometry,i.e.,the X-line,the triple current sheets,and the A-B null pairs.The results can conduce to further understanding of reconnection physics in 3D for plasmas in complex magnetic configurations,and also a possible mechanism for energy and matters transport in evolutions of similar astrophysical systems.

Synthesis and Physico-Chemical Characterizations of Novel Hydrazone Ligands and Their Metal Complexes against Hormone-Dependent and Independent Cancers

This work deals with the synthesis and physicochemical characterizations of a new group of novel retinoidal ligands and their metal complexes. Their in vitro anti-proliferative activities have shown that ligand L1 is effective against human breast cancer BT-20 and MCF-7 cell lines. At the same time, compound L2 exerts its effect on human prostate cancer PC-3 and human breast cancer MDA-MB-231 and MCF-7 cell lines respectively. The retinoid ligands exert their pleiotropic action toward retinoic acid receptors (RARs) than their metal complexes but all compounds exhibit concentration-dependent.

Magma Mixing Genesis of the Mafic Enclaves and Related Granitoids in the Kan Granite-Gneiss Complex of Central Côte d’Ivoire: Evidence from Geology, Petrology and Geochemistry

The mafic enclaves from Paleoproterozoic domain are considered to be the results of large-scale crust-mantle interaction and magma mixing. In this paper, petrography, mineralogy and geochemistry were jointly used to determine the origin of the mafic enclaves and their relationship with the host granitoids of the Kan granite-gneiss complex. This study also provides new information on crust-mantle interactions. The mafic enclaves of the Kan vary in shape and size and have intermediate chemical compositions. The diagrams used show a number of similarities in the major elements (and often in the trace elements) between the mafic enclaves and the host granitoids. Geochemical show that the Kan rock are metaluminous, enriched in silica, medium to high-K calc-alkaline I-type granite. The similarities reflect a mixing of basic and acid magma. Mafic enclaves have a typical magmatic structure, which is characterized by magma mixing. The genesis of these rocks is associated with the context of subduction. They result from the mixing of a mafic magma originating from the mantle and linked to subduction, and a granitic magma (type I granite) that arises from the partial melting of the crust.

Ecological network analysis reveals complex responses of tree species life stage interactions to stand variables

Tree interactions are essential for the structure,dynamics,and function of forest ecosystems,but variations in the architecture of life-stage interaction networks(LSINs)across forests is unclear.Here,we constructed 16 LSINs in the mountainous forests of northwest Hebei,China based on crown overlap from four mixed forests with two dominant tree species.Our results show that LSINs decrease the complexity of stand densities and basal areas due to the interaction cluster differentiation.In addition,we found that mature trees and saplings play different roles,the first acting as“hub”life stages with high connectivity and the second,as“bridges”controlling information flow with high centrality.Across the forests,life stages with higher importance showed better parameter stability within LSINs.These results reveal that the structure of tree interactions among life stages is highly related to stand variables.Our efforts contribute to the understanding of LSIN complexity and provide a basis for further research on tree interactions in complex forest communities.

Squeeze and Excitation Convolution with Shortcut for Complex Plasma Image Recognition

Complex plasma widely exists in thin film deposition,material surface modification,and waste gas treatment in industrial plasma processes.During complex plasma discharge,the configuration,distribution,and size of particles,as well as the discharge glow,strongly depend on discharge parameters.However,traditional manual diagnosis methods for recognizing discharge parameters from discharge images are complicated to operate with low accuracy,time-consuming and high requirement of instruments.To solve these problems,by combining the two mechanisms of attention mechanism(strengthening the extraction of the channel feature)and shortcut connection(enabling the input information to be directly transmitted to deep networks and avoiding the disappearance or explosion of gradients),the network of squeeze and excitation convolution with shortcut(SECS)for complex plasma image recognition is proposed to effectively improve the model performance.The results show that the accuracy,precision,recall and F1-Score of our model are superior to other models in complex plasma image recognition,and the recognition accuracy reaches 97.38%.Moreover,the recognition accuracy for the Flowers and Chest X-ray publicly available data sets reaches 97.85%and 98.65%,respectively,and our model has robustness.This study shows that the proposed model provides a new method for the diagnosis of complex plasma images and also provides technical support for the application of plasma in industrial production.

Structures and magnetism of dinuclear Co complexes based on imine derivatives

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

3,6-Bis-β-Dicarbonylsubstituted Carbazoles Bearing N-Spacers and Their Eu(III) Complexes as Immunofluorescent Labelling Agents

New reagents for immunofluorescence analysis of carbazole series containing fluorinated β-dicarbonyl fragments and carboxylic substituent groups separated by spacers of different lengths from the light-gathering carbazole scaffold have been developed. The markers in complex with Eu3+ ions possess stability in the aqueous phase, intense and prolonged luminescence (τ 550 - 570 μs) with characteristic emission maxima in the region of 615 nm and excitation wavelengths in the region of 380 - 390 nm, which distinguishes them from most of the analogs used. In the study of marker conjugation with streptavidin, a reagent containing 4 - 5 europium labeling complexes based on spacer-containing carbazole tetraketone was obtained. The marker-doped silicate nanoparticles exhibit intense and long-lived luminescence in the characteristic region.

Seismic identification and characterization of complex storage space oil and gas reservoirs

To predict complex reservoir spaces(with developed caves,pores,and fractures),based on the results of full-azimuth depth migration processing,we adopted reverse weighted nonlinear inversion to improve the accuracy of porous reservoir prediction.Scattering imaging three-parameter wavelet transform technology was used to accurately predict small-scale cave bodies.The joint inversion method of velocity and amplitude anisotropy was developed to improve the accuracy of small and medium-sized fracture prediction.The results of multiscale fracture modeling and characterization,interwell connectivity analysis,and connection path prediction are consistent with the production condition.Finally,based on the above prediction findings,favorable reservoir development areas were predicted.The above ideas and strategies have great application value for the efficient exploration and development of complex storage space reservoirs and the optimization of high-yield well locations.

Scale, Complexity, and Cybersecurity Risk Management

Elementary information theory is used to model cybersecurity complexity, where the model assumes that security risk management is a binomial stochastic process. Complexity is shown to increase exponentially with the number of vulnerabilities in combination with security risk management entropy. However, vulnerabilities can be either local or non-local, where the former is confined to networked elements and the latter results from interactions between elements. Furthermore, interactions involve multiple methods of communication, where each method can contain vulnerabilities specific to that method. Importantly, the number of possible interactions scales quadratically with the number of elements in standard network topologies. Minimizing these interactions can significantly reduce the number of vulnerabilities and the accompanying complexity. Two network configurations that yield sub-quadratic and linear scaling relations are presented.

Mantle Driven Early Eocene Magmatic Flare-up of the Gangdese Arc, Tibet: A Case Study on the Nymo Intrusive Complex

Magmatic periodicity is recognized in continental arcs worldwide, but the mechanism responsible for punctuated arc magmatism is controversial. Continental arcs in the Trans-Himalayan orogenic system display episodic magmatism and the most voluminous flare-up in this system was in early Eocene during the transition from subduction to collision. The close association of the flare-up with collision is intriguing. Our study employs zircon Lu-Hf and bulk rock Sr-Nd isotopes, along with mineral geochemistry, to track the melt sources of the Nymo intrusive complex and the role of mantle magma during the early Eocene flare-up of the Gangdese arc, Tibet. The Nymo intrusive complex is composed of gabbronorite, diorite, quartz diorite, and granodiorite which define an arc-related calc-alkaline suite. Zircon U-Pb ages reveal that the complex was emplaced between ~50–47 Ma. Zircon Hf isotopes yield εHf(t) values of 8.2–13.1, while whole-rock Sr and Nd isotopes yield εNd(t) values of 2.7–6.5 indicative of magmatism dominated by melting of a juvenile mantle source with only minor crustal assimilation(~15%–25%) as indicated by assimilation and fractional crystallization modeling. Together with published data, the early Eocene magmatic flare-up was likely triggered by slab breakoff of subducted oceanic lithosphere at depths shallower than the overriding plate. The early Eocene magmatic flare-up may have contributed to crustal thickening of the Gangdese arc. This study provides important insights into the magmatic flare-up and its significant role in the generation of large batholiths during the transition from subduction to collision.

Complex adaptive system theory,agent-based modeling,and simulation in dominant technology formation

Dominant technology formation is the key for the hightech industry to“cross the chasm”and gain an established foothold in the market(and hence disrupt the regime).Therefore,a stimulus-response model is proposed to investigate the dominant technology by exploring its formation process and mechanism.Specifically,based on complex adaptive system theory and the basic stimulus-response model,we use a combination of agent-based modeling and system dynamics modeling to capture the interactions between dominant technology and the socio-technical landscape.The results indicate the following:(i)The dynamic interaction is“stimulus-reaction-selection”,which promotes the dominant technology’s formation.(ii)The dominant technology’s formation can be described as a dynamic process in which the adaptation intensity of technology standards increases continuously until it becomes the leading technology under the dual action of internal and external mechanisms.(iii)The dominant technology’s formation in the high-tech industry is influenced by learning ability,the number of adopting users and adaptability.Therein,a“critical scale”of learning ability exists to promote the formation of leading technology:a large number of adopting users can promote the dominant technology’s formation by influencing the adaptive response of technology standards to the socio-technical landscape and the choice of technology standards by the socio-technical landscape.There is a minimum threshold and a maximum threshold for the role of adaptability in the dominant technology’s formation.(iv)The socio-technical landscape can promote the leading technology’s shaping in the high-tech industry,and different elements have different effects.This study promotes research on the formation mechanism of dominant technology in the high-tech industry,presents new perspectives and methods for researchers,and provides essential enlightenment for managers to formulate technology strategies.

Towards complex scenes: A deep learning-based camouflaged people detection method for snapshot multispectral images

Camouflaged people are extremely expert in actively concealing themselves by effectively utilizing cover and the surrounding environment. Despite advancements in optical detection capabilities through imaging systems, including spectral, polarization, and infrared technologies, there is still a lack of effective real-time method for accurately detecting small-size and high-efficient camouflaged people in complex real-world scenes. Here, this study proposes a snapshot multispectral image-based camouflaged detection model, multispectral YOLO(MS-YOLO), which utilizes the SPD-Conv and Sim AM modules to effectively represent targets and suppress background interference by exploiting the spatial-spectral target information. Besides, the study constructs the first real-shot multispectral camouflaged people dataset(MSCPD), which encompasses diverse scenes, target scales, and attitudes. To minimize information redundancy, MS-YOLO selects an optimal subset of 12 bands with strong feature representation and minimal inter-band correlation as input. Through experiments on the MSCPD, MS-YOLO achieves a mean Average Precision of 94.31% and real-time detection at 65 frames per second, which confirms the effectiveness and efficiency of our method in detecting camouflaged people in various typical desert and forest scenes. Our approach offers valuable support to improve the perception capabilities of unmanned aerial vehicles in detecting enemy forces and rescuing personnel in battlefield.

Diagnostic value of tissue plasminogen activator-inhibitor complex in sepsis-induced liver injury:A single-center retrospective casecontrol study

BACKGROUND Sepsis often causes severe liver injury and leads to poor patient outcomes.Early detection of sepsis-induced liver injury(SILI)and early treatment are key to improving outcomes.AIM To investigate the clinical characteristics of SILI patients and analyze the associated risk factors,to identify potential sensitive biomarkers.METHODS Retrospective analysis of clinical data from 546 patients with sepsis treated in the intensive care unit of the 908th Hospital of Chinese People’s Liberation Army Joint Logistic Support Force between May 2018 and December 2022.The patients were divided into the sepsis group(n=373)and SILI group(n=173)based on the presence of acute liver injury within 2 hours of admission.We used the random forest algorithm to analyze risk factors and assessed potential diagnostic markers of SILI using the area under the receiver operating characteristic curve,Kaplan-Meier survival curves,subgroup analysis and correlation analysis.RESULTS Compared with the sepsis group,tissue plasminogen activator-inhibitor complex(t-PAIC)levels in serum were significantly higher in the SILI group(P<0.05).Random forest results showed that t-PAIC was an independent risk factor for SILI,with an area under the receiver operating characteristic curve of 0.862(95%confidence interval:0.832-0.892).Based on the optimal cut-off value of 11.9 ng/mL,patients at or above this threshold had significantly higher levels of lactate and Acute Physiology and Chronic Health Evaluation II score.The survival rate of these patients was also significantly worse(hazard ratio=2.2,95%confidence interval:1.584-3.119,P<0.001).Spearman’s correlation coefficients were 0.42 between t-PAIC and lactate,and 0.41 between t-PAIC and aspartate transaminase.Subgroup analysis showed significant differences in t-PAIC levels between patients with different severity of liver dysfunction.CONCLUSION T-PAIC can serve as a diagnostic indicator for SILI,with its elevation correlated with the severity of SILI.

Cardioprotective Potential of Cymbopogon citratus Essential Oil against Isoproterenol-induced Cardiomyocyte Hypertrophy:Possible Involvement of NLRP3 Inflammasome and Oxidative Phosphorylation Complex Subunits

Objective:Cymbopogon citratus(DC.)Stapf is a medicinal and edible herb that is widely used for the treatment of gastric,nervous and hypertensive disorders.In this study,we investigated the cardioprotective effects and mechanisms of the essential oil,the main active ingredient of Cymbopogon citratus,on isoproterenol(ISO)-induced cardiomyocyte hypertrophy.Methods:The compositions of Cymbopogon citratus essential oil(CCEO)were determined by gas chromatography-mass spectrometry.Cardiomyocytes were pretreated with 16.9µg/L CCEO for 1 h followed by 10µmol/L ISO for 24 h.Cardiac hypertrophy-related indicators and NLRP3 inflammasome expression were evaluated.Subsequently,transcriptome sequencing(RNA-seq)and target verification were used to further explore the underlying mechanism.Results:Our results showed that the CCEO mainly included citronellal(45.66%),geraniol(23.32%),and citronellol(10.37%).CCEO inhibited ISO-induced increases in cell surface area and protein content,as well as the upregulation of fetal gene expression.Moreover,CCEO inhibited ISO-induced NLRP3 inflammasome expression,as evidenced by decreased lactate dehydrogenase content and downregulated mRNA levels of NLRP3,ASC,CASP1,GSDMD,and IL-1β,as well as reduced protein levels of NLRP3,ASC,pro-caspase-1,caspase-1(p20),GSDMD-FL,GSDMD-N,and pro-IL-1β.The RNA-seq results showed that CCEO inhibited the increase in the mRNA levels of 26 oxidative phosphorylation complex subunits in ISO-treated cardiomyocytes.Our further experiments confirmed that CCEO suppressed ISO-induced upregulation of mt-Nd1,Sdhd,mt-Cytb,Uqcrq,and mt-Atp6 but had no obvious effects on mt-Col expression.Conclusion:CCEO inhibits ISO-induced cardiomyocyte hypertrophy through the suppression of NLRP3 inflammasome expression and the regulation of several oxidative phosphorylation complex subunits.

Data complexity-based batch sanitization method against poison in distributed learning

The security of Federated Learning(FL)/Distributed Machine Learning(DML)is gravely threatened by data poisoning attacks,which destroy the usability of the model by contaminating training samples,so such attacks are called causative availability indiscriminate attacks.Facing the problem that existing data sanitization methods are hard to apply to real-time applications due to their tedious process and heavy computations,we propose a new supervised batch detection method for poison,which can fleetly sanitize the training dataset before the local model training.We design a training dataset generation method that helps to enhance accuracy and uses data complexity features to train a detection model,which will be used in an efficient batch hierarchical detection process.Our model stockpiles knowledge about poison,which can be expanded by retraining to adapt to new attacks.Being neither attack-specific nor scenario-specific,our method is applicable to FL/DML or other online or offline scenarios.

The Effect of a Novel Complex, Composed of Ceramide, Energizing Peptide and Camu Camu Extract, on Epidermal Barrier Function and Dermal Antiaging Properties in Ex Vivo Human Skin Small Live Cohort

The skin’s primary function is to protect the body against a spectrum of environmental stressors, including mechanical insults, microorganisms, chemicals, and allergens. Located in the outermost layers, the primary structures and components responsible for the skin’s barrier function are susceptible to environmental variables, dermatological conditions, and the aging process. The ensuing alterations to structure, composition, and organizational attributes of the epidermal barrier can impact its integrity and functionality. The aim of this study was to assess the effect of a novel complex composed of a ceramide, energizing peptide, and Camu Camu extract (SUPCERATTM complex) on specific markers of epidermal barrier integrity, as well as epidermal and dermal function. All the experiments were conducted on fresh human abdominal skin explants. Intradermal production of hyaluronic acid, epidermal claudin-1, and ceramide synthase 3 expressions, as well as epidermal lipids content were assessed using specific fluorescent stainings on ex vivo skin after the application of the complex or placebo. Additionally, dermal elastase and collagenase activities were assessed using in tubo enzymatic assays. Lastly, the effect of a cosmetic cream containing SUPCERATTM complex was assessed using subjective Global Aesthetic Improvement Scale (GAIS) in a small cohort of patients after 60 days of use. The application of the SUPCERATTM complex on ex vivo skin led to significant increase in dermal hyaluronic acid content and epidermal activity of claudin-1, ceramide synthase 3 and epidermal ceramide content. Furthermore, in tubo enzymatic assays demonstrated inhibition of both dermal elastase and collagenase activities. In addition, the patient-reported results indicated significant improvements in skin quality and appearance. .

Electrical structure identification of deep shale gas reservoir in complex structural area using wide field electromagnetic method

To fully exploit the technical advantages of the large-depth and high-precision artificial source electromagnetic method in the complex structure area of southern Sichuan and compensate for the shortcomings of the conventional electromagnetic method in exploration depth,precision,and accuracy,the large-depth and high-precision wide field electromagnetic method is applied to the complex structure test area of the Luochang syncline and Yuhe nose anticline in the southern Sichuan.The advantages of the wide field electromagnetic method in detecting deep,low-resistivity thin layers are demonstrated.First,on the basis of the analysis of physical property data,a geological–geoelectric model is established in the test area,and the wide field electromagnetic method is numerically simulated to analyze and evaluate the response characteristics of deep thin shale gas layers on wide field electromagnetic curves.Second,a wide field electromagnetic test is conducted in the complex structure area of southern Sichuan.After data processing and inversion imaging,apparent resistivity logging data are used for calibration to develop an apparent resistivity interpretation model suitable for the test area.On the basis of the results,the characteristics of the electrical structure change in the shallow longitudinal formation of 6 km are implemented,and the transverse electrical distribution characteristics of the deep shale gas layer are delineated.In the prediction area near the well,the subsequent data verification shows that the apparent resistivity obtained using the inversion of the wide field electromagnetic method is consistent with the trend of apparent resistivity revealed by logging,which proves that this method can effectively identify the weak response characteristics of deep shale gas formations in complex structural areas.This experiment,it is shown shows that the wide field electromagnetic method with a large depth and high precision can effectively characterize the electrical characteristics of deep,low-resistivity thin layers in complex structural areas,and a new set of low-cost evaluation technologies for shale gas target layers based on the wide field electromagnetic method is explored.

Review and update on the management of triangular fibrocartilage complex injuries in professional athletes

Triangular fibrocartilage complex injuries are common in amateur and professional sports.These injuries are mainly caused by acute or chronic repetitive axial loads on the wrist,particularly on the ulnar side and in association with rotations or radial/ulnar deviations.In order to treat professional athletes,a detailed specific knowledge of the pathology is needed.Moreover,the clinician should fully understand the specific and unique environment and needs of the athletes,their priorities and goals,the type of sport,the time of the season,and the position played.An early diagnosis and appropriate management with the quickest possible recovery time are the uppermost goals for both the athlete and the surgeon.A compromise between conservative vs surgical indications,athletes’needs and expectations,and financial implications should be achieved.Arthroscopic procedures should be timely planned when indicated as they could allow early diagnosis and treatment at the same time.Conservative measures are often used as first line treatment when possible.Peripheral lesions are treated by arthroscopic repair,whilst central lesions are treated by arthroscopic debridement.Further procedures(such as the Wafer procedure,ulnar osteotomies,etc.)have specific indications and great implications with regard to rehabilitation.