Free-Fermion Models and Two-Dimensional Ising Models Under Zero Field and Imaginary Field (/2).

The Ising model is famous in condensed matter and statistical physics. In this work we present a free-fermion formulation of the two-dimensional classical Ising models on honeycomb, triangular and Kagomé lattices. Each Ising model is studied in the cases of a zero field and of an imaginary field i(π/2)kBT.

Bandgap opening induced by electron localization in graphene antidot lattices.

Graphene antidot lattices (GALs) have garnered significant attention for their potential in semiconductor applications, yet the origin of bandgap opening remains controversial. Combining the octet rule, we propose a low-parameter physical model with weighted information entropy to quantitatively determine the electron density distribution, and the tight-binding parameters are obtained from the occupancy numbers based on the maximum entropy method. The results from our model reveal a complex bandgap opening mechanism in zigzag-edged hexagonal GALs (ZH-GALs), where specific inter-ribbon connections and quantum confinement cause the localization of π-electrons between antidots, leading to the elimination of energy levels degeneracy.

Tumor-specific CD8 T cell characterization in HR breast cancer reveals an impaired antitumoral response in patients with lymph node metastasis.

Most breast cancers express the estrogen receptor (ER), but the immune response of hormone receptor-positive (HR) breast cancer remains poorly characterized. Here, dendritic cells loaded with tumor lysate are used to identify tumor-reactive CD8 T cells, which are detected in most HR breast cancer patients, especially those with early-stage tumors. When present, the circulating antitumor CD8 response contains cytotoxic T cells with diverse specificity and T cell receptor (TCR) repertoire.

Deuterium substitution at the intolerable site as a strategy to mitigate the toxicity of camptothecin derivatives.

Camptothecin (CPT) is characterized by a planar fused-ring system consisting of five-membered rings. Structure-activity relationship studies have demonstrated that introducing a substituent at the C-5 position of CPT can disrupt its planar structure, leading to a decrease in its biological activity. In this study, a straightforward hydrogen-deuterium exchange method was developed to achieve bis-deuterium substitution at the C-5 position of CPT.

A General and Interpretable Adatom Model for Classifying Surface Morphologies of Nonmetallic Elements on Metal Substrates.

We present a general and interpretable adatom model that enables the prediction and understanding of stable surface morphologies of nonmetallic elements deposited on metal substrates. By calculating the formation energies of isolated adatoms on various metal surfaces, we reveal the competition between interfacial interactions and the self-aggregation tendencies of the deposited elements. Based on this model, we classify four distinct surface morphologies that arise from nonmetal-metal substrate combinations.

A graph-based statistical model for carbon nanostructures.

Energy degeneracy in physical systems may be induced by symmetries of the Hamiltonian, and the resonance of degeneracy states in carbon nanostructures can effectively enhance the stability of the system. Combining the octet rule, we introduce a statistical model to determine the physical properties by lifting the energy degeneracy in carbon nanostructures. This model offers a direct path to accurately ascertain electron density distributions in quantum systems, akin to how charge density is used in density functional theory to deduce system properties.

Survival outcomes in small intestine tumors: The role of duodenum, jejunum, and ileum.

Small intestine tumors are rare, with variable prognostic factors. The impact of tumor location on survival outcomes remains controversial. This study explores the influence of tumor location (duodenum, jejunum, ileum) on survival.

Quantifying spatial inequities in traffic injury rates through the integration of urban road network measures and social vulnerability.

Mitigating traffic injury rate plays an essential role in sustainable urban development and is closely related to public health and human well-being. The inequity of traffic injury rate undermines equitable access to transportation infrastructure and poses a significant threat to the safety of residents during their commutes. Although previous studies have examined the association between socio-demographic characteristics and regional traffic crash risk, they seldom consider the spatial heterogeneity of the traffic injury rate inequity especially for the vulnerable groups.

Minimizing DNA trapping while maintaining activity inhibition via selective PARP1 degrader.

Poly (ADP-ribose) polymerase 1 (PARP1) catalyzes poly (ADP) ribosylation reaction, one of the essential post-translational modifications of proteins in eukaryotic cells. Given that PARP1 inhibition can lead to synthetic lethality in cells with compromised homologous recombination, this enzyme has been identified as a potent target for anti-cancer therapeutics. However, the clinical application of existing PARP1 inhibitors is restrained by side effects associated with DNA trapping and off-target effects, highlighting the need for improved therapeutic strategies.

Sorafenib and SIAIS361034, a novel PROTAC degrader of BCL-x, display synergistic antitumor effects on hepatocellular carcinoma with minimal hepatotoxicity.

The overexpression of BCL-x is closely associated with poor prognosis in hepatocellular carcinoma (HCC). While the strategy of combination of BCL-x and MCL-1 for treating solid tumors has been reported, it presents significant hepatotoxicity. SIAIS361034, a novel proteolysis targeting chimera (PROTAC) agent, selectively induces the ubiquitination and subsequent proteasomal degradation of BCL-x through the CRBN-E3 ubiquitin ligase.

Potential regulation and prognostic model of colorectal cancer with extracellular matrix genes.

Background: The tumor microenvironment (TME) of colorectal cancer (CRC) mainly comprises immune cells, stromal cells, tumor cells, as well as the extracellular matrix (ECM), which holds a pivotal position. The ECM affects cancer progression, but its regulatory roles and predictive potential in CRC are not fully understood.

Methods: We analyzed transcriptomes from CRC tumors and paired normal tissues to study ECM features.

A negative binomial Lindley approach considering spatiotemporal effects for modeling traffic crash frequency with excess zeros.

Statistical analysis of traffic crash frequency is significant for figuring out the distribution pattern of crashes, predicting the development trend of crashes, formulating traffic crash prevention measures, and improving traffic safety planning systems. In recent years, the theory and practice for traffic safety management have shown that road crash data have characteristics such as spatial correlation, temporal correlation, and excess zeros. If these characteristics are ignored in the modeling process, it may seriously affect the fitting performance and prediction accuracy of traffic crash frequency models and even lead to incorrect conclusions.

Efficacy and safety of camrelizumab, apatinib, and capecitabine combination therapy in advanced biliary tract cancer: a phase 2, nonrandomized, prospective study.

Background: Biliary tract cancer (BTC) is a highly malignant tumor, with limited therapy regimens and short response duration. In this study, we aim to assess the efficacy and safety of the combination of camrelizumab, apatinib, and capecitabine as the first- or second-line treatment in patients with advanced BTC.

Methods: In this phase 2, nonrandomized, prospective study, eligible patients received camrelizumab (200 mg, d1, Q3W), apatinib (250 mg, qd, d1-d21, Q3W), and capecitabine (1000 mg/m², bid, d1-d14, Q3W) until trial discontinued.

NAMPT-targeting PROTAC and nicotinic acid co-administration elicit safe and robust anti-tumor efficacy in NAPRT-deficient pan-cancers.

Nicotinamide phosphoribosyltransferase (NAMPT) catalyzes the biosynthesis of nicotinamide adenine dinucleotide (NAD), making it a potential target for cancer therapy. Two challenges hinder its translation in the clinic: targeting the extracellular form of NAMPT (eNAMPT) remains insufficient, and side effects are observed in normal tissues. We previously utilized proteolysis-targeting chimera (PROTAC) to develop two compounds capable of simultaneously degrading iNAMPT and eNAMPT.

The stability of CsPb(BrCl) all-inorganic mixed halide perovskites.

The use of mixed halide perovskites in the preparation of blue light-emitting diodes (LEDs) is considered to be the most effective and direct approach. However, the introduction of chlorine (Cl) element might raise stability issues in the system and lead to low efficiency, thereby impeding the development of deep blue light-emitting diodes with high efficiency and stability. Determining the alloy concentration and the atomic distribution of bromine-chlorine (Br-Cl) mixed systems is essential for further application of deep blue light-emitting diodes.

HDAC6 inhibitor promotes reactive oxygen species-meditated clearance of Staphylococcus aureus in macrophage.

Staphylococcus aureus (S. aureus) pneumonia has become an increasingly important public health problem. Recent evidence suggests that epigenetic modifications are critical in the host immune defence against pathogen infection.

Unraveling the role of tumor sidedness in prognosis of stage II colon cancer.

Background: Stage II colon cancer has varying risks for metastasis, and treatment strategies depend on molecular and clinicopathological features. While tumor-sidedness is a well-accepted prognostic factor for stage III/IV colon cancer, its role in stage II is controversial. Understanding its effect in stage II is crucial for improving treatment strategies.

Identifying the Spatial Architecture That Restricts the Proximity of CD8 T Cells to Tumor Cells in Pancreatic Ductal Adenocarcinoma.

The anti-tumor function of CD8 T cells is dependent on their proximity to tumor cells. Current studies have focused on the infiltration level of CD8 T cells in the tumor microenvironment, while further spatial information, such as spatial localization and inter-cellular communication, have not been defined. In this study, co-detection by indexing (CODEX) was designed to characterize PDAC tissue regions with seven protein markers in order to identify the spatial architecture that regulates CD8 T cells in human pancreatic ductal adenocarcinoma (PDAC).

Advancing urban traffic accident forecasting through sparse spatio-temporal dynamic learning.

Traffic accidents have emerged as one of the most public health safety matters, raising concerns from both the public and urban administrators. The ability to accurately predict traffic accident not only supports the governmental decision-making in advance but also enhances public confidence in safety measures. However, the efficacy of traditional spatio-temporal prediction models are compromised by the skewed distributions and sparse labeling of accident data.

High-throughput computational materials screening of transition metal peroxides.

Semiconductor materials of abnormal stoichiometric ratio often exhibit unique properties, yet it is still a challenge to determine the structures of such materials in an efficient way. Herein, we propose a method for structurally biased screening according to the coordination numbers and the numbers of Wyckoff positions, balancing the atom local environment and the global symmetry of structures. Based on first-principles calculations, we have predicted two metastable peroxides 2/-ScO and -TiO with more than six coordination points.

Alternative approaches to modeling heterogeneity to analyze injury severity sustained by motorcyclists in two-vehicle crashes.

The presence of unobserved factors in the motorcycle involved two-vehicle crashes (MV) data could lead to heterogenous associations between observed factors and injury severity sustained by motorcyclists. Capturing such heterogeneities necessitates distinct methodological approaches, of which random and scale heterogeneity models are paramount. Herein, we undertake an empirical evaluation of random and scale heterogeneity models, exploring their efficacy in delineating the influence of external determinants on the degree of injury severity in crashes.

Generalized Octet Rule with Fractional Occupancies for Boron.

The octet rule is a fundamental theory in the chemical bonding of main-group elements, which achieve stable configurations by gaining, losing, or sharing electrons. However, the conventional octet rule, as depicted through Lewis structures, is inadequate for describing the electron delocalization in boron allotropes and boron-rich compounds due to the electron deficiency of boron. To address this, we introduce the concept of fractional electron occupancies, which more accurately reflect the electron delocalization in boron systems.