Understanding the influence of secondary building units on the thermal conductivity of metal-organic frameworks via high-throughput computational screening.

The thermal conductivity of metal-organic frameworks (MOFs) has garnered increasing interest due to their potential applications in energy-related fields. However, due to the diversity of building units, understanding the relationship between MOF structures and their thermal conductivity remains an imperative challenge. In this study, we predicted the thermal conductivity (κ) of MOFs using equilibrium molecular dynamics (EMD) simulations and investigated the contribution of structure properties to their thermal conductivity. It is revealed that the arrangement of secondary building units (SBUs) with a closer distance of metal atoms, a larger proportion of metal elements, and transition metal elements (Fe, Mn, and Co) leads to high thermal conductivity. To generally quantify the influence of such factors on thermal conductivity, the pathway factors with SBU influence (Pm) were proposed and can be used to efficiently classify structures into high, medium, and low thermal conductivity types. It was found that Pm indicates that MOFs with met topology tend to have high thermal conductivity, while rna and pcu topologies naturally tend to possess medium and low thermal conductivity. Moreover, it was also suggested that taking Pm as a descriptor in the machine learning algorithms can significantly improve the prediction accuracy for thermal conductivity. This study offers molecular insight into the impact of various SBUs on thermal conductivity in framework-based nanomaterials, which may guide the rational design of nanoporous materials with desirable thermal conductivity.

Differences in the Natural Swimming Behavior of Schizothorax prenanti Individual and Schooling in Spatially Heterogeneous Turbulent Flows.

Spatially heterogeneous turbulent flow refers to nonuniform flow with coexisting multiple flow velocities, which is widely distributed in fish natural or husbandry environments, and its hydraulic parameters affect fish swimming behavior. In this study, a complex hydrodynamic environment with three flow velocity regions (low, medium, and high) coexisting in an open-channel flume was designed to explore volitional swimming ability, the spatial-temporal distribution of fish swimming trajectories, and the range of preferred hydrodynamic parameters of Schizothorax prenanti individual and schooling (three fish). The results showed that the swimming speed of individual fish during upstream migration was significantly higher than that of fish schools (p < 0.05). The swimming trajectories of fish schooling showed that they spent more time synchronously exploring the flow environment during upstream migration compared with individual fish. By superimposing the fish swimming trajectories on the environmental flow field, the range of hydrodynamic environments preferred by fish in complex flow fields was quantified. This research provides a novel approach for investigating the natural swimming behavior of fish species, and a theoretical reference for the restoration of fish natural habitats or flow enrichment of husbandry environments.

Triple-Branched Stent Graft Implantation for Acute Non-A-non-B Aortic Dissection.

BACKGROUND: The optimal treatment for acute non-A-non-B aortic dissection remains controversial. Triple-branched stent graft (TBSG) implantation has been used to treat acute type A aortic dissection. This study aimed to evaluate the safety and efficacy of TBSG as a treatment for acute non-A-non-B aortic dissection. METHODS: Fifty patients with non-A-non-B dissection received TBSG implantation in our center between January 2014 and December 2019. Early mortality, morbidity, and dissected aorta remodeling during follow-up were calculated. RESULTS: There were no deaths in-hospital or within 30 days. Postoperative complications included pneumonia (n = 12), acute kidney injury (n = 6; preoperative renal malperfusion, n = 4), transient cerebral injury (n = 6; preoperative cerebral malperfusion, n = 4), pleural effusion (n = 4), and pericardial effusion (n = 2). During follow-up, 1 patient experienced a stroke, and 2 patients required secondary interventional therapy for residual dissection below the level of the TBSG. All implanted TBSGs had good positioning, and all sidearm stent graft grafts were fully patent. No retrograde aortic dissection or type I endoleak was detected. CONCLUSIONS: TBSG implantation for acute non-A-non-B aortic dissection had a low incidence of mortality and morbidity, featuring good remodeling of the dissected aortic wall during follow-up. The early outcomes of this technique were satisfactory.

In Silico Screening of Metal-Organic Frameworks for Formaldehyde Capture with and without Humidity by Molecular Simulation.

Capturing formaldehydes (HCHO) from indoor air with porous adsorbents still faces challenges due to their low capacity and poor selectivity. Metal-organic frameworks (MOFs) with tunable pore properties were regarded as promising adsorbents for HCHO removal. However, the water presence in humid air heavily influences the formaldehyde capture performance due to the competition adsorption. To find suitable MOFs for formaldehyde capture and explore the relationship between MOFs structure and performance both in dry air and humid air, we performed grand canonical Monte Carlo (GCMC) molecular simulations to obtain working capacity and selectivity that evaluated the HCHO capture performance of MOFs without humidity. The results reveal that small pore size (~5 Å) and moderate heat of adsorption (40-50 kJ/mol) are favored for HCHO capture without water. It was found that the structure with a 3D cage instead of a 2D channel benefits the HCHO adsorption. Atoms in these high-performing MOFs should possess relatively small charges, and large Lennard-jones parameters were also preferred. Furthermore, it was indicated that Henry's constant (KH) can reflect the HCHO adsorption performance without humidity, in which the optimal range is 10-2-101. Hence, Henry's constant selectivity of HCHO over water (SKH HCHO/H2O) and HCHO over mixture components (H2O, N2, and O2) was obtained to screen MOFs at an 80% humidity condition. It was suggested that SKH for the mixture component overestimates the influence of N2 and O2, in which the top structures absorb a quantity of water in GCMC simulation, while SKH HCHO/H2O can efficiently find high-performing MOFs for HCHO capture at humidity in low adsorption pressure. The ECATAT found in this work has 0.64 mol/kg working capacity, and barely adsorbs water during 0-1 bar, which is the promising candidate MOF for HCHO capture.

Versatile roles of polyamines in improving abiotic stress tolerance of plants.

In recent years, extreme environmental cues such as abiotic stresses, including frequent droughts with irregular precipitation, salinity, metal contamination, and temperature fluctuations, have been escalating the damage to plants' optimal productivity worldwide. Therefore, yield maintenance under extreme events needs improvement in multiple mechanisms that can minimize the influence of abiotic stresses. Polyamines (PAs) are pivotally necessary for a defensive purpose under adverse abiotic conditions, but their molecular interplay in this remains speculative. The PAs' accretion is one of the most notable metabolic responses of plants under stress challenges. Recent studies reported the beneficial roles of PAs in plant development, including metabolic and physiological processes, unveiling their potential for inducing tolerance against adverse conditions. This review presents an overview of research about the most illustrious and remarkable achievements in strengthening plant tolerance to drought, salt, and temperature stresses by the exogenous application of PAs. The knowledge of underlying processes associated with stress tolerance and PA signaling pathways was also summarized, focusing on up-to-date evidence regarding the metabolic and physiological role of PAs with exogenous applications that protect plants under unfavorable climatic conditions. Conclusively, the literature proposes that PAs impart an imperative role in abiotic stress tolerance in plants. This implies potentially important feedback on PAs and plants' stress tolerance under unfavorable cues.

Improvement of Myocardial Cell Injury by miR-199a-3p/mTOR Axis through Regulating Cell Apoptosis and Autophagy.

Background: Myocardial ischemia-reperfusion injury (MIRI) is characterized by its high incidence rate and mortality. miR-199a-3p is thought to be strongly linked with the development of some myocardial diseases, but the influence of miR-199a-3p in MIRI remains unclear. Methods: AC16 cells were used. The concentrations of mammalian target of rapamycin (mTOR), light chain 3 II/light chain 3 I, and Beclin-1 were detected with western blotting and qRT-PCR. The binding site between mTOR and miR-199a-3p was evaluated via luciferase report assay. Cell apoptosis was evaluated through flow cytometry. Results: Knockdown of miR-199a-3p accelerated the myocardial cell injury after L-oxygen treatment. Increased expression of mTOR and suppressed autophagy were observed after knockdown of miR-199a-3p. Knockdown of miR-199a-3p or overexpression of mTOR greatly aggravated cell injury through inhibiting autophagy. Conclusions. This study might be helpful for the therapeutic method of MIRI through by regulating miR-199a-3p/mTOR.

Impact of the second phase of the eastern route of South-to-North water diversion project on distribution of nitrogen and phosphorus in Hongze Lake.

Nitrogen (N) and phosphorus (P) concentrations are the fundamental factors affecting the nutrient status and productivity of lakes, and extrinsic inputs of N and P primarily cause eutrophication of lakes. In this essay, taking Hongze Lake as the study area, a two-dimensional hydrodynamic and water quality mathematical model of Hongze Lake was constructed, and based on calibration and verification of parameters, numerical simulation was performed on the changes in N and P concentrations in this lake after water transfer. The study results exhibited that before and after project construction, the absolute values of rates of changes in the annual average concentrations of ammonia nitrogen (NH4+-N), total phosphorus (TP), total nitrogen (TN), and permanganate index (CODMn) in Hongze Lake were all lower than 20%, which demonstrates marginal changes in the annual average concentrations. By analyzing the seasonal and spatial distribution characteristics of the concentrations of N, P and other pollutants in the lake area before and after the project operation, it is found that the main reasons that affect the water quality change in the lake area after the project operation are the newly added water transfer volume, water transfer location, and water transfer quality.

Transthoracic Device Closure, Transcatheter Device Closure, and Surgical Repair via Right Submammary Thoracotomy for Restrictive Ventricular Septal Defect, a Respective Comparative Study.

BACKGROUND: Few comparative studies have focused on the advantages and disadvantages of transthoracic device closure, transcatheter device closure, and surgical repair via right submammary thoracotomy for restrictive ventricular septal defect (VSD). In this article, we compared the safety, efficacy, and clinical effects of these three treatments. Methods: The clinical data of 192 pediatric patients with a restrictive VSD in our hospital from January 2017 to May 2018 were retrospectively collected and analyzed. According to the different treatments, the patients were divided into three groups (the surgical and device groups). Results: There was no significant difference in the demographic characteristics, VSD size, mean pulmonary artery pressure, or cardiothoracic ratio. In addition, there were significant differences in the duration of mechanical ventilation, operation, hospitalization, and ICU stay between the two device groups and the surgical group, but there were no significant differences between the two device groups. Conclusions: Transthoracic device closure, transcatheter device closure, and surgical repair via right submammary thoracotomy for restrictive VSD repair are all safe and feasible. These three treatments have their own disadvantages and advantages and should be selected according to individual patients.

Decreased testosterone secretion index and free testosterone level with multiple symptoms for late-onset hypogonadism identification: a nationwide multicenter study with 5980 aging males in China.

Late-onset hypogonadism (LOH) is a syndrome in middle-aged and elderly men caused by age-related testosterone deficiency. Age-related change of total testosterone (TT) of Asian males is different from Caucasian population, suggesting difference for LOH identification in Asians. A nationwide cross-sectional study involving six centers in China was conducted. Totally 6296 men aged 40-79 were recruited. After exclusions 5980 men were left for analyses. The serum TT level, was neither decreased with aging nor correlated with most hypogonadal symptoms. Instead, ten hypogonadal symptoms were found to be significantly correlated with free testosterone and testosterone secretion index, thus were chosen to form a concise scale. Further analysis identified a level of free testosterone <210 pmol/L, testosterone secretion index <1.8, and the concise scale score ≧17 could be diagnosed as having significantly aggravated LOH. This study developed an evidence-based criteria for LOH identification in Chinese population and may be adopted in other Asians. It includes the impaired testosterone secretion ability and deficiency of bioavailable testosterone, which should be the main cause in LOH pathogenesis despite normal TT levels, as well as correlated multiple hypogonadal symptoms. Our results may guide the LOH treatment to increase testicular function of testosterone secretion and bioavailable testosterone.

Variants of MIR137HG Genes are Associated with Liver Cancer Risk in Chinese Li Population.

BACKGROUND: Liver cancer (LC) is the sixth most common cancer and the second leading cause of cancer mortality worldwide, and its incidence rate is high in China. METHODS: In this study, we aimed to investigate the contribution of MIR137HG (MIR137 Host Gene) polymorphisms to LC risk in a case-control study with 432 LC patients and 430 healthy controls. A logistic recession model was used to evaluate the effects of candidate single nucleotide polymorphisms (SNPs) on LC risk. HaploReg v 4.1 database was conducted to predict the potential functionality of SNPs. RESULTS: The results revealed that rs17371457 and rs7554283 in the MIR137HG gene were correlated with an enhanced LC risk under the allele (P = 0.001 and P = 0.043, respectively) and genetic models (P < 0.05). When the sample was stratified by gender and age, statistically significant associations were found. Rs9440302, rs17371457 and rs7554283 were associated with an increased the risk of LC among individuals aged >55 years (P < 0.05); rs17371457 was related to higher LC risk in males (P < 0.05). Similarly, the haplotype AG constituted by rs12333983 and rs3735451 significantly increased LC risk in Chinese Li population (P = 0.043). Six SNPs distributed in MIR137HG were successfully predicted as regulatory SNPs with different biological functions. CONCLUSION: Our research firstly showed that MIR137HG gene polymorphisms were implicated in LC susceptibility among Chinese Li population.

Enhancing the Quantum Anomalous Hall Effect by Magnetic Codoping in a Topological Insulator.

The quantum anomalous Hall (QAH) effect, which has been realized in magnetic topological insulators (TIs), is the key to applications of dissipationless quantum Hall edge states in electronic devices. However, investigations and utilizations of the QAH effect are limited by the ultralow temperatures needed to reach full quantization-usually below 100 mK in either Cr- or V-doped (Bi,Sb)2 Te3 of the two experimentally confirmed QAH materials. Here it is shown that by codoping Cr and V magnetic elements in (Bi,Sb)2 Te3 TI, the temperature of the QAH effect can be significantly increased such that full quantization is achieved at 300 mK, and zero-field Hall resistance of 0.97 h/e2 is observed at 1.5 K. A systematic transport study of the codoped (Bi,Sb)2 Te3 films with varied Cr/V ratios reveals that magnetic codoping improves the homogeneity of ferromagnetism and modulates the surface band structure. This work demonstrates magnetic codoping to be an effective strategy for achieving high-temperature QAH effect in TIs.

Preparation and Application of Starch/Polyvinyl Alcohol/Citric Acid Ternary Blend Antimicrobial Functional Food Packaging Films.

Ternary blend films were prepared with different ratios of starch/polyvinyl alcohol (PVA)/citric acid. The films were characterized by field emission scanning electron microscopy (FE-SEM), thermogravimetric analysis, as well as Fourier transform infrared (FTIR) analysis. The influence of different ratios of starch/polyvinyl alcohol (PVA)/citric acid and different drying times on the performance properties, transparency, tensile strength (TS), water vapor permeability (WVP), water solubility (WS), color difference (ΔE), and antimicrobial activity of the ternary blends films were investigated. The starch/polyvinyl alcohol/citric acid (S/P/C1:1:0, S/P/C3:1:0.08, and S/P/C3:3:0.08) films were all highly transparent. The S/P/C3:3:0.08 had a 54.31 times water-holding capacity of its own weight and its mechanical tensile strength was 46.45 MPa. In addition, its surface had good uniformity and compactness. The S/P/C3:1:0.08 and S/P/C3:3:0.08 showed strong antimicrobial activity to Listeria monocytogenes and Escherichia coli, which were the food-borne pathogenic bacteria used. The freshness test results of fresh figs showed that all of the blends prevented the formation of condensed water on the surface of the film, and the S/P/C3:1:0.08 and S/P/C3:3:0.08 prevented the deterioration of figs during storage. The films can be used as an active food packaging system due to their strong antibacterial effect.

The plasma miR-125a, miR-361 and miR-133a are promising novel biomarkers for Late-Onset Hypogonadism.

Circulating miRNAs have been shown to serve as diagnostic/prognostic biomarkers in cancers and other diseases. However, the role of plasma miRNAs in Late-onset hypogonadism (LOH) diagnosis is still unknown. Using Illumina HiSeq2000 sequencing at discovery phase, and then two-step validated by reverse transcriptase polymerase chain reaction (RT-PCR) assays in verification phases. We verified that the expression levels of miR-125a-5p, miR-361-5p and miR-133a-3p were significantly altered in LOH group compared to the control group. The area under the receiver operating characteristic (ROC) curve (AUC) is 0.682, 0.698 and 0.765, respectively. The combination of three miRNAs showed a larger AUC (0.835) that was more efficient for the diagnosis of LOH. Among three miRNAs, miR-133a-3p had the best diagnostic value for LOH with 68.2% sensitivity and 77.3% specificity. Regression analyses show that miR-133a-3p level was negatively associated with the ageing males' symptoms (AMS) scale. However, miR-361-5p level was positively associated with serum testosterone concentrations. In summary, plasma miRNAs are differentially expressed between LOH and healthy controls. We validated three miRNAs that could act as novel biomarkers for diagnosis of LOH. These miRNAs may be involved in the development of LOH. However, further large and functional studies are warranted to confirm our findings.

A randomized, controlled, multicenter contraceptive efficacy clinical trial of the intravas device, a nonocclusive surgical male sterilization.

Because of unavoidable complications of vasectomy, this study was undertaken to assess the efficacy and safety of male sterilization with a nonobstructive intravas device (IVD) implanted into the vas lumen by a mini-surgical method compared with no-scalpel vasectomy (NSV). IVDs were categorized into two types: IVD-B has a tail used for fixing to the vas deferens (fixed wing) whereas IVD-A does not. A multicenter prospective randomized controlled clinical trial was conducted in China. The study was comprised of 1459 male volunteers seeking vasectomy who were randomly assigned to the IVD-A (n = 487), IVD-B (n = 485) or NSV (n = 487) groups and underwent operation. Follow-up included visits at the 3 rd -6 th and 12 th postoperative months. The assessments of the subjects involved regular physical examinations (including general and andrological examinations) and semen analysis. The subjects' partners also underwent monitoring for pregnancy by monthly interviews regarding menstruation and if necessary, urine tests. There were no significant differences in pregnancy rates (0.65% for IVD-A, 0 for IVD-B and 0.21% for NSV) among the three groups (P > 0.05). The cumulative rates of complications at the 12 th postoperative month were zero, 0.9% and 1.7% in the three groups, respectively. In conclusion, IVD male sterilization exhibits a low risk of long-term adverse events and was found to be effective as a male sterilization method, similar to the NSV technique. IVD male sterilization is expected to be a novel contraceptive method.

[Population intervention of thalassemia relying on family planning service system].

OBJECTIVE: To set up thalassemia population intervention model in order to decrease the birth of thalassemia major, relying on population and family planning service system. METHODS: Pregnant women and their husbands were educated about thalassemia, and participated in screening and prenatal diagnosis if the couple were carriers of thalassemia in the areas of Huangpu, Panyu, Zengcheng and Tianhe districts of Guangzhou. RESULTS: The network of thalassemia intervention mainly dependent on family planning service system was set up in these regions. A total of 10 695 families participated in thalassemia screening and 16 thalassemia major fetuses were diagnosed in the last two years. No one was thalassemia major in the 8360 newborn. CONCLUSION: Thalassemia population intervention model was set up relying on family planning service system and it significantly decreased the birth of thalassemia major.

Multicenter contraceptive efficacy trial of injectable testosterone undecanoate in Chinese men.

CONTEXT: Hormonal male contraceptive regimens effectively and reversibly suppress sperm production, but there are few large-scale efficacy studies. OBJECTIVE: The safety, contraceptive efficacy, reversibility, and feasibility of injectable testosterone undecanoate (TU) in tea seed oil as a hormonal male contraceptive was assessed. DESIGN: This was a multicenter, phase III, contraceptive efficacy clinical trial. PARTICIPANTS: A total of 1045 healthy fertile Chinese men were recruited throughout China into the study. INTERVENTION(S): Injections of 500 mg TU were administered monthly for 30 months. A definition of severe oligozoospermia (< or =1 x 10(6)/ml) was used as a criterion of spermatogenic suppression and as the threshold for entering the contraceptive efficacy phase. MAIN OUTCOME MEASURE(S): The primary outcome was pregnancy rate in the partner. Other outcomes include: semen parameters, testis volumes, reproductive hormone levels, and safety laboratory tests. RESULTS: Forty-three participants (4.8%) did not achieve azoospermia or severe oligozoospermia within the 6-month suppression phase. A total of 855 participants entered into the efficacy phase, and 733 participants completed monthly TU treatment and follow-up. There were nine pregnancies in 1554.1 person-years of exposure in the 24-month efficacy phase for a cumulative contraceptive failure rate of 1.1 per 100 men. The combined method failure rate was 6.1%, comprising 4.8% with inadequate suppression and 1.3% with postsuppression sperm rebound. No serious adverse events were reported. Spermatogenesis returned to the normal fertile reference range in all but two participants. CONCLUSIONS: Monthly injection of 500 mg TU provides safe, effective, reversible, and reliable contraception in a high proportion of healthy fertile Chinese men.