First-principles investigations of Fe-based A3BX ceramics with high stiffness and damage tolerance.

In the search for high-stiffness and damage-tolerant materials, Fe-based A3BX carbide and nitride anti-perovskites were studied using first-principles calculations. These perovskites were found to be stable in cubic structures, as substantiated by the formation energy, elastic Born stability criterion, and phonon dispersion spectrum analysis. The GGA functional was applied for geometry optimization, and the lattice constants are found to be 3.730 Å, 3.715 Å, 3.832 Å, and 3.828 Å for Fe3AlC, Fe3AlN, Fe3SnC, and Fe3SnN, respectively. Elastic property analysis reveals that all the materials have large elastic moduli, high sound velocities, and high Debye temperatures. Among them, carbides have superior stiffness and quasi-ductile properties, and they can be further improved by applying additional pressure. Preliminary analysis of electronic properties indicates that they are ferromagnetic and metallic compounds. Their high melting temperatures (>2600 K) confirm their potential in high-temperature applications. The lowest thermal conductivity of Fe3SnN suggests its potential in efficient solid-state refrigeration application. Moreover, Fe3SnC is proposed to be a viable damage-tolerant material with good prospects. Under 10 GPa external pressure, it possesses a ductile structure with a Young's modulus of 402.15 GPa and bulk modulus of 280.25 GPa.

Field test of quantum key distribution over aerial fiber based on simple and stable modulation.

We have developed a simple time-bin phase encoding quantum key distribution system, using the optical injection locking technique. This setup incorporates both the merits of simplicity and stability in encoding, and immunity to channel disturbance. We have demonstrated the field implementation of quantum key distribution over long-distance deployed aerial fiber automatically. During the 70-day field test, we achieved approximately a 1.0 kbps secure key rate with stable performance. Our work takes an important step toward widespread implementation of QKD systems in diverse and complex real-life scenarios.

Time-bin phase-encoding quantum key distribution using Sagnac-based optics and compatible electronics.

In this work, we present a new time-bin phase-encoding quantum key distribution (QKD), where the transmitter utilizes an inherently stable Sagnac-type interferometer, and has comparable electrical requirements to existing polarization or phase encoding schemes. This approach does not require intensity calibration and is insensitive to environmental disturbances, making it both flexible and high-performing. We conducted experiments with a compact QKD system to demonstrate the stability and secure key rate performance of the presented scheme. The results show a typical secure key rate of 6.2 kbps@20 dB and 0.4 kbps@30 dB with channel loss emulated by variable optical attenuators. A continuous test of 120-km fiber spool shows a stable quantum bit error rate of the time-bin basis within 0.4%∼0.6% over a consecutive 9-day period without any adjustment. This intrinsically stable and compatible scheme of time-bin phase encoding is extensively applicable in various QKD experiments, including BB84 and measurement-device-independent QKD.

Bayesian analysis under accelerated failure time models with error-prone time-to-event outcomes.

We consider accelerated failure time models with error-prone time-to-event outcomes. The proposed models extend the conventional accelerated failure time model by allowing time-to-event responses to be subject to measurement errors. We describe two measurement error models, a logarithm transformation regression measurement error model and an additive error model with a positive increment, to delineate possible scenarios of measurement error in time-to-event outcomes. We develop Bayesian approaches to conduct statistical inference. Efficient Markov chain Monte Carlo algorithms are developed to facilitate the posterior inference. Extensive simulation studies are conducted to assess the performance of the proposed method, and an application to a study of Alzheimer's disease is presented.

Evaluation of antiviral therapies for coronavirus disease 2019 pneumonia in Shanghai, China.

The aim of our study was to evaluate the therapeutic effect of antiviral drugs on coronavirus disease 2019 (COVID-19) pneumonia. Patients confirmed with COVID-19 pneumonia were enrolled and divided into seven groups according to the treatment option. Information including age, sex, and duration from illness onset to admission, clinical manifestations, and laboratory data at admission, and length of hospital stay were evaluated. The chest computed tomography (CT) imaging obtained at admission and after a 5-day treatment cycle were assessed. The clinical symptoms and laboratory tests at discharge were also assessed. At admission, no significant differences were found among the groups, including the duration from illness onset to admission, clinical symptoms, and main laboratory results. No significant differences were found among the groups in terms of the proportion of patients with pneumonia resolution (P = .151) after treatment or the length of hospital stay (P = .116). At discharge, 7 of 184 (4%) patients had a mild cough while their other symptoms had disappeared, and the proportion of patients with abnormal liver function and with increased leukocytes, neutrophils or erythrocyte sedimentation rate among the 184 patients were close to those at admission. According to the results, the inclusion of antiviral drugs in therapeutic regimens based on symptomatic treatment had no significant additional impact on the improvement in COVID-19 patients. In addition, the results of chest CT imaging, clinical manifestations, and laboratory tests at discharge were not completely consistent.

Long-distance transmission of quantum key distribution coexisting with classical optical communication over a weakly-coupled few-mode fiber.

Quantum key distribution (QKD) is one of the most practical applications in quantum information processing, which can generate information-theoretical secure keys between remote parties. With the help of the wavelength-division multiplexing technique, QKD has been integrated with the classical optical communication networks. The wavelength-division multiplexing can be further improved by the mode-wavelength dual multiplexing technique with few-mode fiber (FMF), which has additional modal isolation and large effective core area of mode, and particularly is practical in fabrication and splicing technology compared with the multi-core fiber. Here, we present for the first time a QKD implementation coexisting with classical optical communication over weakly-coupled FMF using all-fiber mode-selective couplers. The co-propagation of QKD with one 100 Gbps classical data channel at -2.60 dBm launched power is achieved over 86 km FMF with 1.3 kbps real-time secure key generation. Compared with single-mode fiber using wavelength-division multiplexing, given the same fiber-input power, the Raman noise in FMF using the mode-wavelength dual multiplexing is reduced by 86% in average. Our work implements an important approach to the integration between QKD and classical optical communication and previews the compatibility of quantum communications with the next-generation mode division multiplexing networks.

Pacific North American circulation pattern links external forcing and North American hydroclimatic change over the past millennium.

Land and sea surface temperatures, precipitation, and storm tracks in North America and the North Pacific are controlled to a large degree by atmospheric variability associated with the Pacific North American (PNA) pattern. The modern instrumental record indicates a trend toward a positive PNA phase in recent decades, which has led to accelerated warming and snowpack decline in northwestern North America. The brevity of the instrumental record, however, limits our understanding of long-term PNA variability and its directional or cyclic patterns. Here we develop a 937-y-long reconstruction of the winter PNA based on a network of annually resolved tree-ring proxy records across North America. The reconstruction is consistent with previous regional records in suggesting that the recent persistent positive PNA pattern is unprecedented over the past millennium, but documents patterns of decadal-scale variability that contrast with previous reconstructions. Our reconstruction shows that PNA has been strongly and consistently correlated with sea surface temperature variation, solar irradiance, and volcanic forcing over the period of record, and played a significant role in translating these forcings into decadal-to-multidecadal hydroclimate variability over North America. Climate model ensembles show limited power to predict multidecadal variation in PNA over the period of our record, raising questions about their potential to project future hydroclimatic change modulated by this circulation pattern.

Copula-based semiparametric models for spatiotemporal data.

The joint analysis of spatial and temporal processes poses computational challenges due to the data's high dimensionality. Furthermore, such data are commonly non-Gaussian. In this paper, we introduce a copula-based spatiotemporal model for analyzing spatiotemporal data and propose a semiparametric estimator. The proposed algorithm is computationally simple, since it models the marginal distribution and the spatiotemporal dependence separately. Instead of assuming a parametric distribution, the proposed method models the marginal distributions nonparametrically and thus offers more flexibility. The method also provides a convenient way to construct both point and interval predictions at new times and locations, based on the estimated conditional quantiles. Through a simulation study and an analysis of wind speeds observed along the border between Oregon and Washington, we show that our method produces more accurate point and interval predictions for skewed data than those based on normality assumptions.

Photonic microwave waveforms generation based on time-domain processing.

A new photonic approach of microwave waveform generator based on time-domain synthesis is proposed and experimentally demonstrated, in which two single-drive Mach-Zehnder modulators biased at quadrature point are severed as optical pulse carvers and various microwave waveforms can be generated by carving and overlapping optical field envelopes. The theoretical analysis and simulation are developed. In experiment, a square waveform with 50% duty cycle, triangular waveform with full duty cycle, and sawtooth (or reversed-sawtooth) waveform with 50% duty cycle are generated. Furthermore, a frequency doubling sawtooth (or reversed-sawtooth) waveform with full duty cycle is also obtained.

Measurement-device-independent quantum key distribution over 200 km.

Measurement-device-independent quantum key distribution (MDIQKD) protocol is immune to all attacks on detection and guarantees the information-theoretical security even with imperfect single-photon detectors. Recently, several proof-of-principle demonstrations of MDIQKD have been achieved. Those experiments, although novel, are implemented through limited distance with a key rate less than 0.1 bit/s. Here, by developing a 75 MHz clock rate fully automatic and highly stable system and superconducting nanowire single-photon detectors with detection efficiencies of more than 40%, we extend the secure transmission distance of MDIQKD to 200 km and achieve a secure key rate 3 orders of magnitude higher. These results pave the way towards a quantum network with measurement-device-independent security.

Risk factor selection in rate making: EM adaptive LASSO for zero-inflated poisson regression models.

Risk factor selection is very important in the insurance industry, which helps precise rate making and studying the features of high-quality insureds. Zero-inflated data are common in insurance, such as the claim frequency data, and zero-inflation makes the selection of risk factors quite difficult. In this article, we propose a new risk factor selection approach, EM adaptive LASSO, for a zero-inflated Poisson regression model, which combines the EM algorithm and adaptive LASSO penalty. Under some regularity conditions, we show that, with probability approaching 1, important factors are selected and the redundant factors are excluded. We investigate the finite sample performance of the proposed method through a simulation study and the analysis of car insurance data from SAS Enterprise Miner database.

[Study on the frontier orbital and Raman spectra of Aflatoxin B1 and isomer].

Through computation, this paper obtained Aflatoxin B1 and its trans-isomer molecules stable structure which was rarely reported by the density functional theory(DFT) with B3LYP complex function and 6-311 + g(d, p) basis set. Through a single point calculations and geometry analysis, we know that the cis-structure is more stable than trans-structure. On the basis of this, Raman spectra of two molecules are calculated by the same method and basis set. compared with the Aflatoxin B1 cis-structure powder experimental Raman spectra, it was informed that numerical results with experimental results combined with a better. While 1582, 3065, 1626 means to take the strongest of the three peaks of cis-structure raman characteristics, 1616, 3065, 1659 cm(-1) is indicated for the strongest of the three peaks of trans-structure raman characteristics. Use the Hirshfeld atom division method combined with Multiwfn software to analyze the composition of frontier orbital based on optimization calculation, and it was informed that the electrophilic ability of two monlecules was stronger than the nucleophilic ability. The proportion of C1 atoms in LUMO orbital are respectively 21.48 percent, 20.62 percent by calculating, thus it is predicted that C1 atom is most main position spot depriving of the electronic in DNA to cause cancer. The above-mentioned research has certain theoretical directive significance in detection, transformation and toxicity inhibition of the cis-trans isomers.

Season, household registry and isolated birth defects: a population-based case-control study in Danyang, China.

BACKGROUND: A birth population-based study was conducted in Danyang, Jiangsu Province, to evaluate major birth defects in emerging regions in China with similar maternal and neonatal care conditions. METHODS: We conducted a population-based study in a cohort of infants born in Danyang from 2014 to 2021, including 55 709 perinatal infants. Four categories of isolated birth defects were defined as cases: congenital heart defects (CHDs; n=2138), polydactyly (n=145), cleft lip with or without palate (CL/P; n=76) and accessory auricles (n=93). Infants with congenital malformations were identified by the Chinese Birth Defects Monitoring Network. RESULTS: Compared with autumn, conception in spring (OR=1.31 [1.16-1.48]) and winter (OR=1.39 [1.23-1.58]) was associated with an increased risk of CHD. Increased risk of CHD, CL/P and accessory auricles was significantly associated with non-local registered residence (OR=1.17 [1.07-1.28], OR=2.73 [1.52-4.88] and OR=2.11 [1.20-3.71], respectively). Individuals of Han nationality were less likely to have polydactyly (OR=0.23 [0.05-0.98]). CONCLUSIONS: The season of pregnancy was significantly associated with CHDs. Offspring of mothers with non-local registered hometown had greater risks of CHDs, CL/P and accessory auricles.

Roles of ferroptosis in type 1 diabetes induced spermatogenic dysfunction.

Diabetes mellitus (DM) is a widespread metabolic disease presenting with various complications, including spermatogenic dysfunction. However, the underlying mechanisms are still unclear. Ferroptosis, a novel type of programmed cell death, is associated with much metabolic diseases. Here, we investigated the role of ferroptosis in spermatogenic dysfunction of streptozotocin (STZ)-induced type 1 diabetic mice (diabetic mice), high glucose (HG)-treated GC-2 cells (HG cells) as well as testicular tissues of diabetic patients. We found an accumulation of iron, elevated malondialdehyde level and reduced glutathione level in the testis tissues of diabetic mice and HG cells. Histological examination showed a decrease in spermatogenic cells and spermatids within the seminiferous tubules as well as mitochondrial shrinkage in the testis tissues of diabetic mice. Ferrostatin-1 (Fer-1), the inhibitor of ferroptosis, mitigated ferroptosis-associated iron overload, lipid peroxidation accumulation and spermatogenic dysfunction of diabetic mice. Furthermore, we observed a downregulation of GPX4, FTL and SLC7A11 in diabetic mice and HG cells. Fer-1 treatment and GPX4 overexpression counteracted the effects of HG on cell viability, reactive oxygen species, lipid peroxidation and glutathione via inhibition of ferroptosis. Moreover, we found an elevation of ferroptosis in testicular tissues of diabetic patients. Taken together, our results identify the crucial role of ferroptosis in diabetic spermatogenic dysfunction and ferroptosis may be a promising therapeutic target to improve spermatogenesis in diabetic patients.

Depletion effect and biomembrane budding.

Depletion effects are well known to lead to phase separation in microsystems consisting of large and small particles with short-range repulsive interactions that act over macromolecular length scales. The equilibrium mechanics between an enveloped colloidal particle and a biomembrane caused by entropy is investigated by using a continuum model. We show that the favorable contact energy stems from entropy, which is sufficient to drive engulfment of the colloidal particle, and deformation of the biomembrane determines the resistance to the engulfment of the colloidal particle. The engulfment process depends on the ratio of the radii of the larger particle and smaller particles and the bending rigidity. The results show insights into the effects of depletion on biomembrane budding and nanoparticle transportation by a vesicle.

A DFT study of sulforaphane adsorption on the group III nitrides (B12N12, Al12N12 and Ga12N12) nanocages.

In this paper, the adsorption behavior of group III nitrides (B12N12, Al12N12, and Ga12N12) nanocages to sulforaphane (SF) anticancer medicine were studied by density functional theory (DFT). The adsorption energy, solvation energy, desorption time and related quantum molecular descriptors were calculated in neutral and acidic solutions. When the drugs were adsorbed to nanocages, the structure of nanocages and drugs changed after adsorption, indicating that the process was effective adsorption. The adsorption energy and solvation energy of the complexes created after adsorption were negative values, which indicated that the structure of complexes formed by adsorption were stable. According to charge decomposition analysis (CDA) and natural bonding orbitals (NBO), drugs act as charge donors and nanocages act as charge acceptors, so that the charge flows from drugs to nanocages. Thermodynamic calculations demonstrate that drugs adsorption on nanocages is a spontaneous exothermic process. The calculation of quantum molecular descriptors confirmed that drugs adsorption on nanocages increased the chemical reactivity and solubility of drugs, which facilitated its transfer in biological fluids. Both interaction region index (IRI) and topological analysis of atom in molecule (AIM) revealed Van Der Waals interaction between drugs and nanocages. Protonation studies demonstrated that acidic circumstances could improve the polarity of complexes, increase the solvation effect, and boost drugs release in target cancer cells. The results of this work indicate that X12N12(X = B, Al, Ga) nanocages can be used as the delivery vehicle of SF drug.Communicated by Ramaswamy H. Sarma.

Construction and validation of programmed cell death-based molecular clusters for prognostic and therapeutic significance of clear cell renal cell carcinoma.

As the dominant histological subtype of kidney cancer, clear cell renal cell carcinoma (ccRCC) poorly responds to conventional chemotherapy and radiotherapy. Although novel immunotherapies such as immune checkpoint inhibitors could have a durable effect in treating ccRCC patients, the limited availability of dependable biomarkers has restricted their application in clinic. In the study of carcinogenesis and cancer therapies, there has been a recent emphasis on researching programmed cell death (PCD). In the current study, we discovered the enriched and prognostic PCD in ccRCC utilizing gene set enrichment analysis (GSEA) and investigate the functional status of ccRCC patients with different PCD risks. Then, genes related to PCD that had prognostic value in ccRCC were identified for the conduction of non-negative matrix factorization to cluster ccRCC patients. Next, the tumor microenvironment, immunogenicity, and therapeutic response in different molecular clusters were analyzed. Among PCD, apoptosis and pyroptosis were enriched in ccRCC and correlated with prognosis. Patients with high PCD levels were related to poor prognosis and a rich but suppressive immune microenvironment. PCD-based molecular clusters were identified to differentiate the clinical status and prognosis of ccRCC. Moreover, the molecular cluster with high PCD levels may correlate with high immunogenicity and a favorable therapeutic response to ccRCC. Furthermore, a simplified PCD-based gene classifier was established to facilitate clinical application and used transcriptome sequencing data from clinical ccRCC samples to validate the applicability of the gene classifier. We thoroughly extended the understanding of PCD in ccRCC and constructed a PCD-based gene classifier for differentiation of the prognosis and therapeutic efficacy in ccRCC.

Identification of a basement membrane-based risk scoring system for prognosis prediction and individualized therapy in clear cell renal cell carcinoma.

Clear cell renal cell carcinoma (ccRCC) belongs to one of the 10 most frequently diagnosed cancers worldwide and has a poor prognosis at the advanced stage. Although multiple therapeutic agents have been proven to be curative in ccRCC, their clinical application was limited due to the lack of reliable biomarkers. Considering the important role of basement membrane (BM) in tumor metastasis and TME regulation, we investigated the expression of BM-related genes in ccRCC and identified prognostic BM genes through differentially expression analysis and univariate cox regression analysis. Then, BM-related ccRCC subtypes were recognized through consensus non-negative matrix factorization based on the prognostic BM genes and evaluated with regard to clinical and TME features. Next, utilizing the differentially expressed genes between the BM-related subtypes, a risk scoring system BMRS was established after serial analysis of univariate cox regression analysis, lasso regression analysis, and multivariate cox regression analysis. Time-dependent ROC curve revealed the satisfactory prognosis predictive capacity of BMRS with internal, and external validation. Multivariate analysis proved the independent predictive ability of BMRS and a BMRS-based nomogram was constructed for clinical application. Some featured mutants were discovered through genomic analysis of the BMRS risk groups. Meanwhile, the BMRS groups were found to have distinct immune scores, immune cell infiltration levels, and immune-related functions. Moreover, with the help of data from The Cancer Immunome Atlas (TCIA) and Genomics of Drug Sensitivity in Cancer (GDSC), the potential of BMRS in predicting therapeutic response was evaluated and some possible therapeutic compounds were proposed through ConnectivityMap (CMap). For the practicability of BMRS, we validated the expression of BMRS-related genes in clinical samples. After all, we identified BM-related ccRCC subtypes with distinct clinical and TME features and constructed a risk scoring system for the prediction of prognosis, therapeutic responses, and potential therapeutic agents of ccRCC. As ccRCC systemic therapy continues to evolve, the risk scoring system BMRS we reported may assist in individualized medication administration.

Identification of pyroptosis-related subtypes and comprehensive analysis of characteristics of the tumor microenvironment infiltration in clear cell renal cell carcinoma.

Pyroptosis is a kind of programmed cell death triggered by the inflammasome. Growing evidence has revealed the crucial utility of pyroptosis in tumors. However, the potential mechanism of pyroptosis in clear cell renal cell carcinoma (ccRCC) is still unclear. In this research, we systematically analyze the genetic and transcriptional alterations of pyroptosis-related genes (PRGs) in ccRCC, identify pyroptosis-related subtypes, analyze the clinical and microenvironmental differences among different subtypes, develop a corresponding prognostic model to predict the prognosis of patients, and interpret the effect of pyroptosis on ccRCC microenvironment. This study provides a new perspective for a comprehensive understanding of the role of pyroptosis in ccRCC and its impact on the immune microenvironment, and a reliable scoring system was established to predict patients' prognosis.

Censored quantile regression based on multiply robust propensity scores.

Censored quantile regression has elicited extensive research interest in recent years. One class of methods is based on an informative subset of a sample, selected via the propensity score. Propensity score can either be estimated using parametric methods, which poses the risk of misspecification or obtained using nonparametric approaches, which suffer from "curse of dimensionality." In this study, we propose a new estimation method based on multiply robust propensity score for censored quantile regression. This method only requires one of the multiple candidate models for propensity score to be correctly specified, and thus, it provides a certain level of resistance to the misspecification of parametric models. Large sample properties, such as the consistency and asymptotic normality of the proposed estimator, are thoroughly investigated. Extensive simulation studies are conducted to assess the performance of the proposed estimator. The proposed method is also applied to a study on human immunodeficiency viruses.