Computational Experiments for Complex Social Systems:Integrated Design of Experiment System

Powered by advanced information industry and intelligent technology,more and more complex systems are exhibiting characteristics of the cyber-physical-social systems(CPSS).And human factors have become crucial in the operations of complex social systems.Traditional mechanical analysis and social simulations alone are powerless for analyzing complex social systems.Against this backdrop,computational experiments have emerged as a new method for quantitative analysis of complex social systems by combining social simulation(e.g.,ABM),complexity science,and domain knowledge.However,in the process of applying computational experiments,the construction of experiment system not only considers a large number of artificial society models,but also involves a large amount of data and knowledge.As a result,how to integrate various data,model and knowledge to achieve a running experiment system has become a key challenge.This paper proposes an integrated design framework of computational experiment system,which is composed of four parts:generation of digital subject,generation of digital object,design of operation engine,and construction of experiment system.Finally,this paper outlines a typical case study of coal mine emergency management to verify the validity of the proposed framework.

Multimodal Identification by Transcriptomics and Multiscale Bioassays of Active Components in Xuanfeibaidu Formula to Suppress Macrophage-Mediated Immune Response

Xuanfeibaidu Formula (XFBD) is a Chinese medicine used in the clinical treatment of coronavirus disease 2019 (COVID-19) patients. Although XFBD has exhibited significant therapeutic efficacy in clinical practice, its underlying pharmacological mechanism remains unclear. Here, we combine a comprehensive research approach that includes network pharmacology, transcriptomics, and bioassays in multiple model systems to investigate the pharmacological mechanism of XFBD and its bioactive substances. High-resolution mass spectrometry was combined with molecular networking to profile the major active substances in XFBD. A total of 104 compounds were identified or tentatively characterized, including flavonoids, terpenes, carboxylic acids, and other types of constituents. Based on the chemical composition of XFBD, a network pharmacology-based analysis identified inflammation-related pathways as primary targets. Thus, we examined the anti-inflammation activity of XFBD in a lipopolysaccharide-induced acute inflammation mice model. XFBD significantly alleviated pulmonary inflammation and decreased the level of serum proinflammatory cytokines. Transcriptomic profiling suggested that genes related to macrophage function were differently expressed after XFBD treatment. Consequently, the effects of XFBD on macrophage activation and mobilization were investigated in a macrophage cell line and a zebrafish wounding model. XFBD exerts strong inhibitory effects on both macrophage activation and migration. Moreover, through multimodal screening, we further identified the major components and compounds from the different herbs of XFBD that mediate its anti-inflammation function. Active components from XFBD, including Polygoni cuspidati Rhizoma, Phragmitis Rhizoma, and Citri grandis Exocarpium rubrum, were then found to strongly downregulate macrophage activation, and polydatin, isoliquiritin, and acteoside were identified as active compounds. Components of Artemisiae annuae Herba and Ephedrae Herba were found to substantially inhibit endogenous macrophage migration, while the presence of ephedrine, atractylenolide I, and kaempferol was attributed to these effects. In summary, our study explores the pharmacological mechanism and effective components of XFBD in inflammation regulation via multimodal approaches, and thereby provides a biological illustration of the clinical efficacy of XFBD.

支气管镜介入技术治疗典型类癌的近期疗效及远期疗效观察

背景与目的支气管镜下的各种介入治疗技术包括圈套、二氧化碳冷冻、氩等离子体凝固(argon plasma coagulation,APC)、激光(Neodymium-dopted Yrium Aluminium Garnet,Nd:YAG)、光动力治疗(photodynamic therapy,PDT),以上治疗技术通常用于治疗气管腔内肿瘤,但用于治疗典型类癌(typical carcinoid,TC)的研究并不普遍。本研究拟探讨支气管镜介入技术治疗典型类癌的近期疗效和远期疗效。方法回顾性分析北京应急总医院2010年12月-2020年12月可消瘤的腔内典型类癌患者的临床资料,采用Wilcoxon秩和检验和卡方检验进行统计分析。结果共纳入32例患者,术前支气管动脉栓塞18例(栓塞率56%,95%CI:31%-79%)。呼吸困难分级评分治疗后较治疗前下降,差异有统计学意义[(1.44±1.03)分vs(0.25±0.58)分,P=0.003];支气管管腔狭窄程度治疗后较治疗前改善,差异有统计学意义[(87.50%±13.90%)vs(17.50%±6.83%),P<0.001];支气管内径治疗后较治疗前扩宽,差异有统计学意义[(0.14±0.18)cm vs(0.84±0.29)cm,P<0.001]。近期有效率为100%。32例患者中24例支气管镜介入治疗能够完全消瘤,完全缓解(complete remission,CR)率为75%。结论支气管镜介入治疗技术治疗典型类癌的近期疗效及远期疗效显著。

Mechanical Properties and Degradability of Electrospun PCL/PLGA Blended Scaffolds as Vascular Grafts

In our study, the mechanical properties and degradability of vascular grafts made from poly(ε-caprolactone)(PCL) and poly(lactic-co-glycolic acid)(PLGA) at different ratios were investigated. The results showed that the electrospun PCL/PLGA grafts possess good mechanical properties and biodegradability. The tensile and burst strength of the scaffolds met the demands of vascular grafts. In vitro degradation tests indicated that the degradation rate of the materials increased with the percentage of PLGA, and in vivo tests showed that increasing the amount of PLGA is an effective way to promote cell infiltration. Particularly, the electrospun PCL/PLGA blended scaffold with 10% PLGA exhibited a balance of mechanical and degradation properties, making it a promising tissue engineering material for vascular grafts.

Tracing the formation of oxygen vacancies at the conductive LaAlO3/SrTiO3 interface via photoemission

The two-dimensional electron gas(2DEG)generated at the LaAlO3/SrTiO3 interface has been in the focus of oxides re-search since its first discovery.Although oxygen vacancies play an important role in the generation of the insulator-to-metal transition of the SrTiO3 bare surface,their contribution at the LaAlO3/SrTiO3 interface remains unclear.In this work,we investigated a LaAlO3/SrTiO3 heterostructure with regional distribution of defect-based localized polar sites at the interface.Using static and time-resolved threshold photoemission electron microscopy,we prove that oxygen vacan-cies are induced near those polar sites,resulting in the increase of carrier density of the 2DEG states.In addition,oxy-gen-related surface states were uncovered,which we attributed to the release of lattice oxygen during the formation of oxygen vacancies.Such effects are mainly found spatially located around the defect sites at the buried interface,while other regions remain unaffected.Our results confirm that the itinerant electrons induced by oxygen vacancies can coex-ist with the charge transfer mechanism in the LaAlO3/SrTiO3 heterostructure,together leading to the formation of the metallic interface.These observations provide fundamental insights into the nature of LaAlO3/SrTiO3 interface based 2DEG and unique perspectives for potential applications.

Construction and evaluation of co-electrospun poly (butylene succinate)/gelatin materials as potential vascular grafts

In this study,a series of poly(butylene succinate)(PBSU)/gelatin composites were prepared by electrospinning.The morphology,physicochemical analysis,biomechanical properties,biocompatibility,and biodegradability of the materials were evaluated.The results showed that the ultimate tensile stress of the vascular PBSU/gelatin grafts at(95/5),(90/10),(85/15),and(80/20)was(4.17±0.54)MPa,(3.81±0.44)MPa,2.94±0.69 MPa and 2.11±0.72 MPa respectively,and the burst pressure was(282.7±22.3)kPa,(295.3±3.9)kPa,(306.8±13.9)kPa and(307.6±9.0)kPa respectively,which met the requirements of tissue-engineered blood vessels.Furthermore,the addition of gelatin improved the hydrophilicity and degradation properties of PBSU,thus enhancing cell adhesion and promoting the inward growth of vascular smooth muscle cells.In summary,the research in this paper provides a useful reference for the preparation and optimization of vascular scaffolds.

An unusual homing behavior found in the Sichuan Partridge during the early brooding period

In this study,we report an unusual homing behavior of the Sichuan Partridge(Arborophila rufipectus)at the Laojunshan National Nature Reserve,Sichuan Province,China.Hen Sichuan Partridges led the chicks back to the nests where they hatched in the evening and roosted there over night.This behavior lasted 6.7±4.3 nights(range=1–15;n=13)after the chicks hatched.At this stage,the hens became very vigilant to predators and human disturbance.If disturbed,they often abandoned the nests immediately and no longer returned thereafter.The ambient temperature at night during the early brooding period of Sichuan Partridge at our study site was^12.4°C.Our findings suggest that hen Sichuan Partridges may make trade-offs between nest predation risks versus the thermoregulatory needs of their young.

Remarkable average thermoelectric performance of the highly oriented Bi(Te,Se)-based thin films and devices

Bi(Te,Se)-based compounds have attracted lots of attention for nearly two centuries as one of the most successful commercial thermoelectric(TE)materials due to their high performance at near room tem-perature.Compared with 3D bulks,2D thin films are more compatible with modern semiconductor technology and have unique advantages in the construction of micro-and nano-devices.For device applications,high average TE performance over the entire operating temperature range is critical.Herein,highly c-axis-oriented N-type Bi(Te,Se)epitaxial thin films have been successfully prepared using the pulsed laser deposition technology by adjusting the deposition temperature.The film deposited at~260℃demonstrate a remarkable average power factor(PFave)of~24.4 mW·cm^(-1)·K^(-2)over the tem-perature range of 305e470 K,higher than most of the state-of-the-art Bi(Te,Se)-based films.Moreover,the estimated average zT value of the film is as high as~0.81.We then constructed thin-film TE devices by using the above oriented Bi(Te,Se)films,and the maximum output power density of the device can reach up to~30.1 W/m^(2)under the temperature difference of 40 K.Predictably,the outstanding average TE performance of the highly oriented Bi(Te,Se)thin films will have an excellent panorama of applications in semiconductor cooling and power generation.

Metabarcoding of fecal DNA reveals the broad and flexible diet of a globally endangered bird

Knowing the diet of endangered wild animals is a prerequisite for species-specific conservation and habitat management.The Sichuan partridge Arborophila rufipectus is a globally endangered Galliformes species endemic to the mountains of southwest China.Existing information on the diet of this species is biased and fragmented owing to traditional observation methods.Little is known about their dietary composition or how they respond to temporal variations in food resources throughout the year.In this study,a dietary analysis was performed on 6o fecal samples using DNA Metabarcoding of invertebrates and plants to determine the primary animal and plant components of the diet across 3 critical periods of adult life history(breeding,postbreeding wandering,and overwintering).Preys from the dipteran order,followed by the lepidopteran and ara-neaen spp.,were the predominant,animal-derived foods.Symplocos,Rubus,Celastrus,Holboellia,and Actinidia spp.supply a large abundance of fruits and seeds for this omnivorous bird.Substantial temporal dietary changes among the 3 periods and a general shift toward lower dietary diversity during the breeding season were observed,suggesting that the Sichuan partridge can adjust their diet according to the availability of food resources and their own needs.Characterizing the composition and seasonal changes in Sichuan partridge diets informs the habitat management of native flora(the plant taxa that can generate berries and seeds,such as Symplocos,Rubus,Celastrus,and Holboellia,which are likely of conservation interest)to achieve full life-cycle conservation.

Organic Passivation of Deep Defects in Cu(In,Ga)Se_(2) Film for Geometry-Simplified Compound Solar Cells

Diverse defects in copper indium gallium diselenide solar cells cause nonradiative recombination losses and impair device performance.Here,an organic passivation scheme for surface and grain boundary defects is reported,which employs an organic passivation agent to infiltrate the copper indium gallium diselenide thin films.A transparent conductive passivating(TCP)film is then developed by incorporating metal nanowires into the organic polymer and used in solar cells.The TCP films have a transmittance of more than 90%in the visible and nearinfrared spectra and a sheet resistance of~10.5Ω/sq.This leads to improvements in the open-circuit voltage and the efficiency of the organic passivated solar cells compared with control cells and paves the way for novel approaches to copper indium gallium diselenide defect passivation and possibly other compound solar cells.

A new artificial photosynthetic system coupling photovoltaic electrocatalysis with solar heating catalysis

In this work,we present a novel artificial photosynthetic paradigm with square meter(m^(2))level scalable production by integrating photovoltaic electrolytic water splitting device and solar heating CO_(2)hydrogenation device,successfully achieving the synergy of 1 sun driven 19.4%solar to chemical energy efficiency(STC)for CO production(2.7 times higher than that of large-sized artificial photosynthetic systems)with a low cost(equivalent to 1/7 of reported artificial photosynthetic systems).Furthermore,the outdoor artificial photosynthetic demonstration with 1.268 m^(2)of scale exhibits the CO generation amount of 258.4 L per day,the STC of~15.5%for CO production in winter,which could recover the cost within 833 sunny days of operation by selling CO.

铜砭刮痧对痰浊瘀阻型冠心病稳定型心绞痛患者负性情绪、舒适度及满意度的影响

目的 :探讨铜砭刮痧对痰浊瘀阻型冠心病稳定型心绞痛的临床疗效。方法 :选择112例符合纳排标准的患者,随机分为两组,各56例。对照组给予常规心血管中西医结合疗法,干预组在对照组常规心血管中西医结合疗法的基础上实施铜砭刮痧,7天刮一次,以连续4次为1个疗程,共刮1个疗程后比较两组患者在干预前、干预后2周、干预后4周的临床疗效,以及中医证候积分、焦虑自评量表(SAS)、抑郁自评量表(SDS)、舒适度评分及护理满意度水平。结果 :干预组患者在干预前、干预后2周、干预后4周的临床总有效率、舒适度评分、护理满意度均高于对照组,SAS评分、SDS评分、中医证候积分均低于对照组。结论 :铜砭刮痧用于痰浊瘀阻型冠心病稳定型心绞痛治疗的效果确切,值得进一步推广。

Recent progress in luminescent materials based on lanthanide complexes intercalated synthetic clays

Interest in lanthanide complexes in the synthetic clays remains growing considerably during the last decades because of the attractive features of the individuals. Synthetic clays like Laponite~? and Aminoclay show great potentials in building up the luminescent hybrid materials due to their obvious advantages such as high purity, high dispersibility(or solubility) in water to yield translucent gels and clear aqueous solution. Additionally, their strong adsorption capacity for non-polar molecules or complexes is favorable to the formation of water-soluble and aqueous processable luminescent materials. This feature article summarizes the latest developments in the design and preparation of highly luminescent organicinorganic hybrid materials with excellent aqueous process ability based on lanthanide complexes intercalated synthetic clays.

Effects of land use, climate, topography and soil properties on regional soil organic carbon and total nitrogen in the Upstream Watershed of Miyun Reservoir, North China

Soil organic carbon （SOC） and total nitrogen （TN） contents as well as their relationships with site characteristics are of profound importance in assessing current regional, continental and global soil C and N stocks and potentials for C sequestration and N conservation to offset anthropogenic emissions of greenhouse gases. This study investigated contents and distribution of SOC and TN under different land uses, and the quantitative relationships between SOC or TN and site characteristics in the Upstream Watershed of Miyun Reservoir, North China. Overall, both SOC and TN contents in natural secondary forests and grasslands were much higher than in plantations and croplands. Land use alone explained 37.2% and 38.4% of variations in SOC and TN contents, respectively. The optimal models for SOC and TN, achieved by multiple regression analysis combined with principal component analysis （PCA） to remove the multicollinearity among site variables, showed that elevation, slope, soil clay and water contents were the most significant factors controlling SOC and TN contents, jointly explaining 70.3% of SOC and 67.1% of TN contents variability. Only does additional 1.9% and 3% increase in the interpretations of SOC and TN contents variability respectively when land use was added to regressions, probably due to environment factors determine land use. Therefore, environmental variables were more important for SOC and TN variability than land use in the study area, and should be taken into consideration in properly evaluating effects of future land use changes on SOC and TN on a regional scale.

Methods for Shale Gas Play Assessment: A Comparison between Silurian Longmaxi Shale and Mississippian Barnett Shale

Based on field work, organic geochemical analyses and experimental testing, a six-property assessment method for shale gas is proposed. These six properties include organic matter properies, lithofacies, petrophysical properties, gas content, brittleness and local stress field. Due to the features of continuous distribution over a large area and low resource abundance in shale plays, a sweet spot should have these following properties： （a） TOC〉2%; （b） brittle minerals content （〉40%） and clay minerals （〈30%）; （c） Ro （〉1.1%）; （d） porosity （〉2%） and permeability （〉0.000 1 mD）, and （e） effective thickness （30-50 m）. Applying these criteria in the Sichuan Basin, the Silurian Longmaxi shale consists of four prospecting sweet spots, including blocks of Changning, Weiyuan, Zhaotong and Fushnn-Yongchuan. Although these four blocks have some similarities, different features were usually observed. After comprehensive analyses using the six-property assessment method, the Fushun-Yongan Block ranks the most favorable sweet spot, followed by the Weiyuan Block. For the other two blocks, the Changning Block is better than the Zbaotong Block. By comparing with the Mississippian Barnett shale, characteristics that are crucial for a high-yielding in the Sichuan Basin include a high content of organic matter （TOC〉2.5%）, a moderate thermal maturity （Ro=0.4%-2%）, a high content of brittle minerals （quartz： 30%-45%）, a high gas content （〉2.5 m^3·t^-1）, and types I and II1 kerogen.

Synthesis of bifunctional Pt/MgAPO-5 catalysts and their catalytic performance in the hydrogenation of nitrobenzene to p-aminophenol

MgAPO-5 molecular sieves have been synthesized using diethylaminoethanol as the templating agent in a wide range of the MgO/Al2O3 ratio.The samples were characterized by XRD,SEM,solid state NMR,FT-IR and NH3-TPD.Using MgAPO-5 as acidic supports,bifunctional Pt/MgAPO-5 catalysts were prepared for hydrogenation of nitrobenzene to p-aminophenol (PAP).The results showed that the MgO/Al2O3 ratios influenced the Mg content and the acidity of MgAPO-5 samples,thereby greatly affecting the catalytic performance of Pt/MgAPO-5 catalysts.The selectivity to PAP over Pt/MgAPO-5 was dependent on the amount of strong acid sites of MgAPO-5.When the MgO/Al2O3 molar ratio was 0.5,the synthesized MgAPO-5 sample exhibited the largest amount of strong acid and a highest PAP yield of 41.1% was achieved over Pt/MgAPO-5 catalyst.

Low-power memristors based on layered 2D SnSe/graphene materials

The emerging two-terminal memristor with a conductance-adjustable function under external stimulation is considered a strong candidate for use in artificial memory and electronic synapses. However, the stability, uniformity, and power consumption of memristors are still challenging in neuromorphic computing. Here an Au/SnSe/graphene/SiO_(2)/Si memristor was fabricated, incorporating two-dimensional graphene with high thermal conductivity. The device not only exhibits excellent electrical characteristics(e.g., high stability,good uniformity and a high ROFF/RON ratio), but also can implement biological synaptic functions such as paired-pulse facilitation, short-term plasticity and long-term plasticity. Its set and reset power values can be as low as 16.7 and 2.3 nW,respectively. Meanwhile, the resistance switching mechanism for the device, which might be associated with the formation and rupture of a filamentary conducting path consisting of Sn vacancies, was confirmed by high-resolution transmission electron microscopy observations. The proposed device is an excellent candidate for use in high-density storage and lowpower neuromorphic computing applications.

Lateral bipolar photoresistance effect in the CIGS heterojunction and its application in position sensitive detector and memory device

Cu(In,Ga)Se2(CIGS) based multilayer heterojunction, as one of the best high efficiency thin film solar cells, has attracted great interest due to its outstanding features. However, the present studies are primarily focused on the structure optimization and modulation in order to enhance the photoelectric conversion efficiency. Here, we exploit another application of this multilayer heterostructure in photoresistance-modulated position sensitive detector by introducing lateral photoresistance effect.The lateral photoresistance measurements show that this multilayer heterojunction exhibits a wide spectral response(~330 to ~1150 nm) and excellent bipolar photoresistance performances(position sensitivity of ~63.26 X/mm and nonlinearity <4.5%), and a fast response speed(rise and fall time of ~14.46 and^14.42 ms, respectively). More importantly, based on the lateral photoresistance effect, the CIGS heterostructure may also be developed as a position-dependent resistance memory device, which can be modulated by changing laser intensity, wavelength, and bias voltage with excellent stability and repeatability, and the position resolution reaches up to 1 lm. These results can be well explained by considering the diffusion and the drift model of carriers in the CIGS multilayer heterojunction. This work provides a new approach of achieving novel photoelectric sensors and memory devices based on the traditional photovoltaic heterostructures.

Exosome-mimicking nanovesicles derived from efficacy-potentiated stem cell membrane and secretome for regeneration of injured tissue

Translation of exosome-based therapies to pharmaceutical use is hindered by difficulties in large-scale and cost-effective production of clinical-grade exosomes.The rational design of nanovesicles that mimic the functionalities and physicochemical properties of exosomes may circumvent these issues.In this study,membranes and secretome from efficacy-potentiated mesenchymal stem cells(MSCs)were developed into size-controllable nanovesicles(Meseomes).MSCs were primed with interferon-y(IFNy)and tumor necrosis factor-a(TNFa),harvested,and exosome-mimicking Meseomes were subsequently synthesized via one-step extrusion.Meseomes demonstrated significant enhancement of pro-angiogenic,pro-proliferative,antiinflammatory,and anti-fibrotic effects on endothelial cells,macrophages,and hepatic stellate cells in vitro.Meseomes from primed MSCs benefited from an enrichment of bioactive and therapeutic molecules compared to nanovesicles from unprimed MSCs,as validated by liquid chromatography-mass spectrometry(LC-MS)proteomic analysis.Systemic administration of Meseomes to acute liver injury models resulted in the recovery of liver function,attenuated tissue necrosis.Further assessment of locally administered Meseomes in acute hindlimb ischemia models resulted in the salvage of the majority of the ischemic hindlimb(>80%),which was due to enhanced angiogenesis and M2 macrophage polarization.The versatility and therapeutic efficacy of our developed acellular Meseomes offer an appealing alternative to traditional cell or exosome therapies for regenerative and translational medicine.

Expression status of GATA3 and mismatch repair proteins in upper tract urothelial carcinoma

GATA binding protein 3 (GATA3) and mismatch repair (MMR) deficiency contribute to the development of urothelial carcinoma. However, the combined expression of GATA3 and microsatellite instability (MSI) in upper tract urothelial carcinoma (UTUC) and its prognostic value have not been investigated. Here, we immunohistochemically stained GATA3 and MMR proteins in 108 UTUC samples. GATA3 was positive in 74 cases, and its expression was significantly lower than in adjacent benign urothelium (P<0.001). Loss of GATA3 expression was statistically associated with adverse clinicopathologic parameters, such as advanced stage, lymphovascular invasion, neural invasion, lymph node metastasis, and extensive necrosis. Cancer-specific survival (CSS, P=0.028) and disease-free survival (DFS, P=0.024) were significantly shorter in patients with GATA3 negative tumors than in patients with GATA3 positive tumors. The absence of MMR proteins was observed in 8.3% of the cases, and focal staining was identified in 13.0%. When using “lax criteria” which resulted in counting cases as negative where MMR staining was in fact focally positive (<5%), we found that GATA3 was inversely associated with MSI (P=0.005). Moreover, GATA3−/microsatellite stability (MS) tumors were correlated with advanced pT stage (P<0.001) and poor outcome (P=0.019 for CSS, P=0.016 for DFS) compared with GATA3+/MSI ones. The GATA3−/MSI cases had unfavorable clinical outcomes compared with GATA3+/MSI cases (P=0.008 for CSS, P=0.023 for DFS). This finding raises a question as to whether GATA3 interacts with MSI through the TGF-β signaling pathway and regulates UTUC progression.