Reactive molecular dynamics insight into the thermal decomposition mechanism of 2,6-Bis(picrylamino)-3,5-dinitropyridine

2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)method.The detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly analyzed.In the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration reaction.With the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is cleaved.The final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the largest.Many clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by temperature.At low temperatures(2500 K-2750 K),many clusters are formed.At high temperatures(2750 K-3250 K),the clusters aggregate to form larger clusters.At 3500 K,the large clusters decompose and become small.In the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of PYX.PYX's initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/mol.This work contributes to a theoretical understanding of PYX's entire thermal decomposition process.

Effects of PCI on the levels of WBC, CD40L and cTnI in patients with ST segment elevation myocardial infarction combined with arrhythmia

Objective:Toanalyze the effect of PCI treatment on blood WBC(White blood cell),CD40 L and cTnI(Cardiac Troponin I)levels and prognosis in patients with ST segment elevation myocardial infarction combined with arrhythmia at different time windows.Methods 87 patients with arrhythmia who were treated from January 2017 to January 2019 were seleted as the research objects.They were divided into≤3 h group,3 to 6 h group,and 6 to 12 h group according to the PCI treatment time window.Patients were treated by PCI in all groups.The recanalization and reperfusion arrhythmia of patients after vascular occlusion were investigated.The WBC,cTnI,and CD40 L levels in patients'serum were measured at the time of enrollment and 24 hours after the end of treatment.Result The vascular recanalization rate was significantly different in the three groups,and the difference was statistically significant(P<0.05).The vascular recanalization rate was the highest in the≤3 h group and the lowest in the 6-12 h group.There was a significant difference in the incidence of reperfusion arrhythmia among the three groups(P<0.05),of which the incidence rate was the highest in the≤3 h group,and the time of the occurrence of reperfusion arrhythmia in the three groups was significantly different,and the difference was statistically significant(P<0.05).The time of the occurrence of reperfusion arrhythmia was highest in the 6-12 h group,there was no significant difference in time between the≤3 h group and the 3-6 h group(P>0.05.There were significant differences in WBC,CD40L and cTnI levels in the three groups,and the differences were statistically significant(P<0.05).The serum WBC,CD40L and cTnI levels were highest in≤3 h group,but there was no significant difference in WBC,CD40L and cTnI levels in the 3-6 h group and 6-12 group.Conclusion The best time window of PCI treatment is 3~6h in patients with arrhythmia,which can significantly improve the levels of serum WBC,CD40L and cTnI.

Artificial Bear Bile:A Novel Approach to Balancing Medical Requirements and Animal Welfare

Bear bile has been a valuable and effective medicinal material in traditional Chinese medicine(TCM)for over 13 centuries.However,the current practice of obtaining it through bear farming is under scrutiny for its adverse impact on bear welfare.Here,we present a new approach for creating artificial bear bile(ABB)as a high-quality and sustainable alternative to natural bear bile.This study addresses the scientific challenges of creating bear bile alternatives through interdisciplinary collaborations across various fields,including resources,chemistry,biology,medicine,pharmacology,and TCM.A comprehensive efficacy assessment system that bridges the gap between TCM and modern medical terminology has been established,allowing for the systematic screening of therapeutic constituents.Through the utilization of chemical synthesis and enzyme engineering technologies,our research has achieved the environmentally friendly,large-scale production of bear bile therapeutic compounds,as well as the optimization and recomposition of ABB formulations.The resulting ABB not only closely resembles natural bear bile in its composition but also offers advantages such as consistent product quality,availability of raw materials,and independence from threatened or wild resources.Comprehensive preclinical efficacy evaluations have demonstrated the equivalence of the therapeutic effects from ABB and those from commercially available drained bear bile(DBB).Furthermore,preclinical toxicological assessment and phase I clinical trials show that the safety of ABB is on par with that of the currently used DBB.This innovative strategy can serve as a new research paradigm for developing alternatives for other endangered TCMs,thereby strengthening the integrity and sustainability of TCM.

Assessing the effectiveness of internetbased interventions for mental health outcomes:an umbrella review

Internet-based interventions(IBIs)for behavioural health have been prevalent for over two decades,and a growing proportion of individuals with mental health concerns prefer these emerging digital alternatives.However,the effectiveness and acceptability of IBIs for various mental health disorders continue to be subject to scholarly debate.We performed an umbrella review of meta-analyses(MAs),conducting literature searches in PubMed,Web of Science,Embase,Cochrane and Ovid Medline from their inception to 17 January 2023.A total of 87MAs,reporting on 1683 randomised controlled trials and 295589 patients,were included.The results indicated that IBIs had a moderate effect on anxiety disorder(standardised mean difference(SMD)=0.53,95%CI 0.44 to 0.62)and post-traumatic stress disorder(PTSD)(SMD=0.63,95%CI 0.38 to 0.89).In contrast,the efficacy on depression(SMD=0.45,95%CI 0.39 to 0.52),addiction(SMD=0.23,95%CI 0.16 to 0.31),suicidal ideation(SMD=0.23,95%CI 0.16 to 0.30),stress(SMD=0.41,95%CI 0.33 to 0.48)and obsessive-compulsive disorder(SMD=0.47,95%CI 0.22 to 0.73)was relatively small.However,no significant effects were observed for personality disorders(SMD=0.07,95%CI-0.13 to 0.26).Our findings suggest a significant association between IBIs and improved mental health outcomes,with particular effectiveness noted in treating anxiety disorders and PTSD.However,it is noteworthy that the effectiveness of IBIs was impacted by high dropout rates during treatment.Furthermore,our results indicated that guided IBIs proved to be more effective than unguided ones,playing a positive role in reducing dropout rates and enhancing patient adherence rates.

Research Progress on Psychosocial Adaptation of Hemodialysis Patients

From the perspective of the biopsychosocial medical model,hemodialysis patients often suffer from psychosocial maladaptation in the face of a series of changes and pressures,which greatly affect their physical and mental health.This paper reviews the concept of psychosocial adaptation of hemodialysis patients,the current research status,influencing factors,measurement tools,and the current status of interventions,aiming to provide a reference for improving the psychosocial adaptation ability of hemodialysis patients.

Analysis of the Current Situation and Influencing Factors of Psychosocial Adaptation of Hemodialysis Patients

Objective:To investigate the current status and influencing factors of psychosocial adaptation of hemodialysis patients,and to provide a reference basis for the development of nursing interventions.Methods:435 hemodialysis patients from the hemodialysis centers of three tertiary A hospitals in Xi’an City were conveniently selected from April to August 2023,and were investigated using the General Information Questionnaire,the Psychosocial Adaptation to Disease Scale,the Fear of Disease Progression Simplification Scale,and the Personal Sense of Control Scale.Results:The psychosocial adaptation score of hemodialysis patients was(56.68±18.32);the results of multiple linear regression analysis showed that marital status,the form of payment for medical expenses,work status,degree of self-care in daily life,number of co-morbid chronic illnesses,fear of disease progression,and sense of personal mastery were the main influencing factors of psychosocial adaptation of hemodialysis patients.Conclusion:The psychosocial adaptation of hemodialysis patients is at the level of severe maladaptation,and healthcare professionals should formulate scientific and reasonable nursing intervention programs according to their influencing factors to enhance their psychosocial adaptation.

固酶纳米复合物光电催化性能评估的综合实验——多学科交叉综合性实验教学改革实践

针对现有固酶二氧化钛-碳纳米材料复合物基光电化学传感器存在的环境适应性和抗干扰性欠佳、灵敏度和底物选择性不够高以及构效关系研究不足等问题,系统探讨了不同功能单元与二氧化钛/碳基纳米材料之间各种相互作用与纳米复合物各基元结构、组成以及理化性质之间的关联。在此基础上确定制约其传感效能和应用价值的关键因素,阐述了未来构筑此类传感器构效关系模型所需解决的重点问题。本文设计了一个典型的综合性实验,介绍了固载牛血红蛋白的二氧化钛纳米球-3D氧化石墨烯共价偶联复合物基电极的制备方法。使学生掌握综合运用多种表征测试技术考察固载酶分子与载体各基元间相互作用对酶参与光电催化反应各相关步骤动力学的影响的方法,并了解固酶电极光电催化动力学参数测定的相关理论和方法。

基于宏基因组技术研究哈蟆油对大鼠肠道菌群的影响

目的基于宏基因组技术研究哈蟆油(OR)对大鼠肠道菌群的影响,用组学技术表征OR的功效。方法雄性SD大鼠随机分为对照组和OR组。OR组大鼠以200 mg·kg^(-1)剂量的OR匀浆每日灌胃,对照组以等体积生理盐水灌胃。14 d后,采集大鼠粪便进行宏基因组测序,对测序结果进行基因预测、丰度分析、物种注释及京都基因与基因组百科全书(KEGG)功能注释。结果在门水平上OR可以显著升高放线菌门相对丰度(P<0.05),在纲水平上OR可以显著升高放线菌纲相对丰度(P<0.05),在目水平上OR可以显著升高双歧杆菌目相对丰度(P<0.05)。两组大鼠肠道菌群在门和属水平上的β多样性存在差异。线性判别效应大小分析(LEfSe)筛选出两组间35种显著差异菌种。KEGG功能注释结果显示,在Level 1层级上注释到新陈代谢类通路的基因最多。组间差异分析表明,OR组注释到免疫系统、环境适应及癌症相关通路的相对丰度产生变化。结论改变大鼠肠道菌群相对丰度及多样性、调节脂质及氨基酸代谢通路可能是OR营养保健和治疗疾病的潜在机制。

Lower respiratory tract samples are reliable for severe acute respiratory syndrome coronavirus 2 nucleic acid diagnosis and animal model study

Severe acute respiratory syndrome coronavirus 2(SARS-Co V-2) and coronavirus disease 2019(COVID-19) continue to impact countries worldwide.At present, inadequate diagnosis and unreliable evaluation systems hinder the implementation and development of effective prevention and treatment strategies. Here, we conducted a horizontal and longitudinal study comparing the detection rates of SARS-Co V-2 nucleic acid in different types of samples collected from COVID-19 patients and SARS-Co V-2-infected monkeys. We also detected anti-SARS-Co V-2 antibodies in the above clinical and animal model samples to identify a reliable approach for the accurate diagnosis of SARS-Co V-2 infection. Results showed that, regardless of clinical symptoms, the highest detection levels of viral nucleic acid were found in sputum and tracheal brush samples, resulting in a high and stable diagnosis rate. Anti-SARS-Co V-2 immunoglobulin M(Ig M) and G(Ig G) antibodies were not detected in6.90% of COVID-19 patients. Furthermore,integration of nucleic acid detection results from the various sample types did not improve the diagnosis rate. Moreover, dynamic changes in SARS-Co V-2 viral load were more obvious in sputum and tracheal brushes than in nasal and throat swabs. Thus,SARS-Co V-2 nucleic acid detection in sputum and tracheal brushes was the least affected by infection route, disease progression, and individual differences. Therefore, SARS-Co V-2 nucleic acid detection using lower respiratory tract samples alone is reliable for COVID-19 diagnosis and study.

Experimental study on toluene removal by a two-stage plasma-biofilter system

Volatile organic compounds(VOCs) are typical pollutants that affect air quality.Discharge plasma is thought to be a potential method that can remove VOCs from flue gas.In this experiment,pulsed corona discharge plasma combined with a biological tower was carried out to remove the benzene series,and toluene was selected as the typical VOC.The results indicated that the removal efficiency of toluene by pulsed corona plasma was slightly higher than that of direct current(DC) corona plasma,while its energy efficiency was much higher than DC corona plasma.Under the optimal experimental conditions of pulse voltage 8.5 kV,initial toluene concentration 1400 mg m^(-3),and toluene flow rate of 121h^(-1),the toluene removal efficiency reached 77.11% by the single method of pulsed corona discharge plasma,and the energy efficiency was up to 1.515 g/(kW·h) under the pulse voltage of 4.0 kV.The trickling biofilter was constructed by using the screened and domesticated Acinetobacter baumannii,and the highest toluene removal efficiency by the pulsed corona discharge plasma combined with the trickling biofilter rose up to 97.84%.Part of the toluene was degraded into CO_(2),H_(2)O,and some intermediate products such as o-diphenol under the influence of Acinetobacter baumannii.When the remaining waste gas passed through the discharge plasma reactor,the benzene ring structure could be directly destroyed by the collision between toluene and plasma.Meanwhile,O·,OH·,and some other oxidizing radicals generated by the discharge also join into the oxidative decomposition of toluene and its intermediate products,thereby further improving the removal efficiency of toluene.Therefore,the two-stage plasma-biofilter system not only showed a high toluene removal efficiency,but also had a good energy efficiency.The results of this study will provide theoretical support and technical reference for industrial VOC treatment.

Endovascular repair of thoracic aortic dissection associated with right-sided aortic arch：report of four cases

Aortic dissection involving a right-sided aortic arch（RAA）is extremely rare with an incidence in adults of 0.04%to 0.1%^（[1]）.Thoracic aortic dissection associated with RAA is even a more uncommon and life-threatening condition.For complicated aortic dissection,conventional open surgical repair is considered a standard therapy^（[2]）.However,

Construction of a Talent Cultivation Mode for Traditional Chinese Medicine Nursing Inheritance

Objective:To explore and build traditional Chinese medicine(TCM)nursing inheritance on the talent training scheme,the foundation for cultivating outstanding talents of TCM nursing inheritance.Methods:The modified Delphi method was used for conducting two rounds of consultation with 15 TCM nursing experts to formulate training plan.Results:The questionnaire recovery rates of two rounds of expert enquiry were 100.00%,with high experts enthusiasm,experts coefficients were 0.83 and 0.81,respectively.Kendall coordination coefficient were 0.26 and 0.30,respectively(P<0.01).After two rounds of expert consultation,the TCM nursing inheritance talent training scheme was finally formed,including 3 first-level indicators,7 second-level indicators and 24 third-level indicators.Conclusion:Construction of talent cultivating program of TCM nursing inheritance is scientific and feasible,with a certain reference value.

Natural products against HIV latency

Antiretroviral therapy has achieved great success in suppressing human immunodeficiency virus(HIV)replication and transforming HIV infection from a fatal disease to a manageable chronic disease.However,the latent HIV reservoir persists in the body of HIVinfected individuals and is prone to reactivation.Therefore,the development of new treatment methods aimed at a complete cure for HIV is needed.The leading strategy for HIV eradication is based on eliminating and preventing the reactivation of latent reservoirs through an approach known as“shock and kill.”This strategy involves the use of latency-reversing agents(LRAs)to activate the HIV provirus in latent viral reservoir cells.Many LRAs can be obtained from natural resources,including plants and marine organisms.In this review,we provide an overview of natural products used to eliminate HIV latency.

Symptom experience in patients with cancer-related fatigue:A systematic review and meta-synthesis

To understand the real experiences of patients with cancer-related fatigue and to promote quality of life,the researchers used computer searches of PubMed,EMbase,CINAHL,PsycINFO,Web of Science,and China National Knowledge Infrastructure,China Biology Medicine disc,Wanfang Data,China Science and Technology Journal Database for relevant qualitative studies from the inception to November 1,2021.The results showed that a total of 16 papers were included,and 57 outcomes were distilled into 9 categories,which were pooled into four integrated outcomes,such as somatic,psychological and social support and so on.It is concluded that patients with cancer-related fatigue are not only in the midst of multidimensional,unspeakable somatic experiences,and complex psychological experiences,they are also hindered in coping with fatigue symptom and social life.Therefore,healthcare professionals should provide health interventions and psychological support to those patients whenever possible.

Impacts of Roof/Ground Mitigation Strategies on Improving the Urban Thermal Environment and Human Comfort over the Yangtze River Delta, China

The combined effects of global warming and the urban heat islands exacerbate the risk of urban heat stress. It is crucial to implement effective cooling measures in urban areas to improve the comfort of the thermal environment. In this study, the Weather Research and Forecasting Model(WRF), coupled with a single-layer Urban Canopy Model(UCM), was used to study the impact of heat mitigation strategies. In addition, a 5-km resolution land-cover dataset for China(ChinaLC), which is based on satellite remote sensing data, was adjusted and used, and 18 groups of numerical experiments were designed, to increase the albedo and vegetation fraction of roof/ground parameters. The experiments were conducted for four heatwave events that occurred in the summer of 2013 in the Yangtze River Delta urban agglomeration of China. The simulated results demonstrated that, for the single roof/ground schemes, the mitigation effects were directly proportional to the albedo and greening. Among all the experimental schemes, the superposed schemes presented better cooling effects. For the ground greening scheme, with similar net radiation flux and latent heat flux, its storage heat was lower than that of the roof greening scheme, resulting in more energy flux into the atmosphere, and its daytime cooling effect was not as good as that of the roof greening scheme. In terms of human thermal comfort(HTC), the improvement achieved by the ground greening scheme was better than any other single roof/ground schemes, because the increase in the relative humidity was small. The comprehensive evaluation of the mitigation effects of different schemes on the thermal environment presented in this paper provides a theoretical basis for improving the urban environment through rational urban planning and construction.

A piezoelectric-driven microneedle platform for skin disease therapy

With over a million cases detected each year,skin disease is a global public health problem that diminishes the quality of life due to its difficulty to eradicate,propensity for recurrence,and potential for post-treatment scarring.Photodynamic therapy(PDT)is a treatment with minimal invasiveness or scarring and few side effects,making it well tolerated by patients.However,this treatment requires further research and development to improve its effective clinical use.Here,a piezoelectric-driven microneedle(PDMN)platform that achieves high efficiency,safety,and non-invasiveness for enhanced PDT is proposed.This platform induces deep tissue cavitation,increasing the level of protoporphyrin IX and significantly enhancing drug penetration.A clinical trial involving 25 patients with skin disease was conducted to investigate the timeliness and efficacy of PDMN-assisted PDT(PDMN-PDT).Our findings suggested that PDMN-PDT boosted treatment effectiveness and reduced the required incubation time and drug concentration by 25%and 50%,respectively,without any anesthesia compared to traditional PDT.These findings suggest that PDMN-PDT is a safe and minimally invasive approach for skin disease treatment,which may improve the therapeutic efficacy of topical medications and enable translation for future clinical applications.

Muscarinic acetylcholine receptor M1 mediates prostate cancer cell migration and invasion through hedgehog signaling

The autonomic nervous system contributes to prostate cancer proliferation and metastasis. However, the exact molecular mechanism remains unclear. In this study, muscarinic acetylcholine receptor M1 （CHRM1） expression was measured via immunohistochemical analysis in human prostate cancer tissue array slides. PC-3, LNCaP, and A549 cells were treated with pirenzepine or carbachol, and the cell migration and invasion abilities were evaluated. Western blotting and quantitative real-time PCR were performed to measure GLI family zinc finger 1 （GLI1）, patched 1 （PTCH1）, and sonic hedgehog （SHH） expression levels. High expression of CHRM1 was found in early-stage human prostate cancer tissues. In addition, the selective CHRM1 antagonist pirenzepine inhibited PC-3, LNCaP, and A549 cell migration and invasion, but the agonist carbachol promoted the migration and invasion of these three cell lines. Muscarinic signaling can be relayed by hedgehog signaling. These data show that CHRM1 is involved in the regulation of prostate cancer migration and invasion through the hed^eho~ si^nalin~ ~athwav.

Clinical Efficacy of the Integrated Medical Care Model Combined with Psychological Intervention in Tuberculosis Patients with Lung Cancer

Objective:To explore the clinical efficacy of the integrated medical care model combined with psychological intervention in pulmonary tuberculosis patients with lung cancer.Methods:From January to December 2022,60 pulmonary tuberculosis patients with lung cancer admitted to our hospital were selected as the research subjects.Using the random number table method,the patients were divided into two groups,a control group and a study group,with 30 cases in each group.The chest computed tomography(CT)examination results,mental state assessment(including depression scale and anxiety scale)scores,incidence of adverse reactions,treatment effect,and length of hospital stay were compared between the two groups.Results:The treatment effect of the patients in the study group was better than that of the patients in the control group(P<0.05);the duration of hospitalization,chest CT examination results,mental state assessment scores,and incidence of adverse reactions of the study group and the control group,were significantly different(P<0.05).Conclusion:The integrated medical care model combined with psychological intervention can effectively improve the treatment effect of pulmonary tuberculosis patients with lung cancer and prevent the occurrence of adverse reactions;thus,it should be promoted in clinical practice.

Observation on the Effect of Integrated Medical and Nursing Care in Patients with Pulmonary Tuberculosis Combined with Lung Cancer

Objective:To explore the effect of integrated medical and nursing care in patients with pulmonary tuberculosis combined with lung cancer.Methods:From August 2021 to August 2022,60 patients with pulmonary tuberculosis combined with lung cancer were admitted.All patients were diagnosed with pulmonary tuberculosis according to the Guidelines for the Diagnosis and Treatment of Pulmonary Tuberculosis and with lung cancer by pathology.The patients were randomly divided into two groups,with 30 cases in each group.The control group received daily nursing care,whereas the study group received integrated medical and nursing care.The sputum conversion rate,tumor remission rate,and quality of life of patients were observed and analyzed.Results:The item function score and symptom function score of the observation group were higher than those of the control group(P<0.05);the total effective rate of the observation group was significantly higher than that of the control group(P<0.05);the sputum conversion rate of the observation group was significantly higher than that of the control group(P<0.05).Conclusion:For patients with pulmonary tuberculosis combined with lung cancer,the application of integrated medical and nursing care can help consolidate the treatment effect and improve the quality of life of patients;thus,it is worthy of promotion and application.

Compressive failure analysis of unidirectional carbon/epoxy composite based on micro-mechanical models

A 2D micro-mechanical model was proposed to study the compressive failure of Uni Directional（UD） carbon/epoxy composite. Considering the initial imperfection and strength distribution of the fiber, the plasticity and ductile damage of the matrix, the failure of T300/914 UD composite under longitudinal compression and in-plane combined loads was simulated by this model. Simulation results show that the longitudinal compressive failure of the UD composite is caused by the plastic yielding of the matrix in kink band, and the fiber initial imperfection is the main reason for it. Under in-plane combined loads, the stress state of the matrix in kink band is changed, which affects the longitudinal compressive failure modes and strength of UD composite.The failure envelope of r_1–s_（12） and r_1–r_2 are obtained by the micro-mechanical model. Meanwhile,the compressive failure mechanism of the UD composite is analyzed. Numerical results agree well with the experimental data, which verifies the validity of the micro-mechanical model.