Browse Articles

Some simulations of age-period-cohort analysis applying Bayesian regularization: Conditions for using random walk model

Age-period-cohort (APC) analysis, one of the fundamental time-series models, has an identification problem of the inability to separate linear components of the three effects. However, constraints to solve the problem are still controversial because multilevel analysis used in many studies results in the linear component of cohort effects being close to zero. In addition, previous studies do not compare the Bayesian cohort model proposed by Nakamura with the well-known intrinsic estimator. This paper focuses on three models of Bayesian regularization using priors of normal distributions. A random effects model refers to multilevel analysis, a ridge regression model is equivalent to the intrinsic estimator, and a random walk model refers to the Bayesian cohort model. Here, applying Bayesian regularization in APC analysis is to estimate linear components by using nonlinear components and priors. We aim to suggest conditions for using the random walk model by comparing the three models through some simulations with settings for the linear and nonlinear components. Simulation 1 emphasizes an impact of the indexes by making absolute values of the nonlinear components small. Simulation 2 randomly generates the amounts of change in the linear and nonlinear components. Simulation 3 randomly generates artificial parameters with only linear components are less likely to appear, to consider the Bayesian regularization assumption. As a result, Simulation 1 shows the random walk model, unlike the other two models, mitigates underestimating the linear component of cohort effects. On the other hand, in Simulation 2, none of the models can recover the artificial parameters. Finally, Simulation 3 shows the random walk model has less bias than the other models. Therefore, there is no one-size-fits-all APC analysis. However, this paper suggests the random walk model performs relatively well in data generating processes, where only linear components are unlikely to appear.

Optimizing electric vehicle energy consumption prediction through machine learning and ensemble approaches

Prevalence and clinicopathological characteristics of breast cancer patients with brain metastases in Ghana: A single-center cross-sectional study

Breast cancer remains a leading cause of cancer-related mortality among women globally. While advances in early diagnosis and systemic therapies have improved survival, they have also increased the likelihood of brain metastases over time, particularly in low-resource settings where limited diagnostic and treatment capacity exacerbates the burden of late-stage disease. The study aimed to determine the prevalence and describe the clinicopathological characteristics of breast cancer patients diagnosed with brain metastasis in a limited-resource healthcare setting. This research was a single-institution-based quantitative cross-sectional study. Socio-demographic, clinical and pathological data were extracted from patients’ medical records as well as the hospital-based cancer registry. Data were analyzed using STATA software (version 16). Descriptive and logistic regression analyses were performed. The study involved 144 adult female metastatic breast cancer patients with a mean age of 48.7 years (SD 11.3). The prevalence of brain metastasis was 17.5%. Only 4.9% presented with de novo brain metastasis, p < 0.001. Bone metastases were present in 31.9% whereas 26.4% and 12.5% had concurrent lung and liver metastasis respectively. In all, 38.9% had grade III tumors. Also, 50.6% were categorized as recursion partition analysis (RPA) class II whereas 49.3% had a performance status of ECOG 2. A considerable majority (86.8%) were treated with palliative intent whereas 13.2% received best supportive care only. In total, 86.8% underwent radiotherapy whereas 81.3% received systemic treatments, with chemotherapy being the most frequently utilized modality (73.5%). Most patients (88%) were treated with 2-dimensional radiotherapy whereas 3.2% received hippocampal-sparing intensity-modulated radiotherapy. The high prevalence of brain metastasis among breast cancer patients with distant metastases reflects the challenges associated with late-stage breast cancer presentation and limited access to advanced diagnostic and therapeutic interventions in limited-resource healthcare settings.

Demographic variations and temporal trends in hospice and palliative care fellowship matches in the United States

German translation and psychometric testing of the Postconcussion Symptom Inventory for adolescents in self-report (PCSI-SR13) and parent-report (PCSI-P)

Adolescents are at an increased risk of sustaining a traumatic brain injury (TBI), which is associated with physical, cognitive, and/or emotional impairments, the so-called post-concussion symptoms (PCS). To fill the gap of German-language instruments for the age-appropriate assessment of PCS, the current study presents the translation, linguistic validation, and psychometric examination of two versions of the Postconcussion Symptom Inventory (PCSI) for adolescents (PCSI-SR13; 21 items) and their parents (PCSI-P; 20 items). Translation included iterative forward and backward translations and cognitive debriefings (CD). A total of 117 adolescents (aged 13–17 years) after TBI (3 months up to 10 years after injury) and 111 parents completed the PCSI. Both German versions were compared descriptively with the corresponding English versions. Analyses were conducted at the item and scale level. Confirmatory factor analyses (CFA) were performed, and internal consistency was examined using Cronbach’s α and McDonald’s ω. Convergent validity testing used Spearman’s ρ correlations with the Rivermead Post-Concussion Symptoms Questionnaire (RPQ). Cohen’s κ at the item level and intraclass correlation coefficients (ICC) were calculated to assess adolescent-parent agreement. The original four-factor structure could be replicated for the PCSI-SR13, but not for the PCSI-P. Internal consistency was good to excellent (≥ 0.80). Correlations (ρ ≥ 0.57) indicated a strong association with the RPQ. At the item level, the adolescent-parent agreement was fair to moderate (κ: 0.14–0.58). At the subscale level, interpretation of the ICC (ICC: 0.51–0.71) was limited due to the wide CI95%. In general, the psychometric properties support the applicability of the PCSI-SR13 and the PCSI-P for assessing PCS in German-speaking adolescents in the subacute and chronic phase after TBI. However, given the lack of factorial validity of the PCSI-P and the discrepancies between adolescents’ and parents’ ratings, self-report is recommended.

Defining essential surgical skills and optimizing simulation training modalities for anterior cervical discectomy and fusion

Azithromycin for infants at risk of poor growth and development: A pooled secondary analysis of two randomized controlled trials

Background In 2023, the World Health Organization (WHO) revised its guidelines for management of severe acute malnutrition (SAM). The revised guidelines include a focus on infants at risk of poor growth and development. The guideline identifies evaluation of routine antibiotics for these infants as a priority research area. Objective We pooled data from two large randomized controlled trials evaluating azithromycin for prevention of infant mortality in Burkina Faso to assess whether azithromycin reduces mortality or wasting in this subgroup. Methods Infants in the two trials were 1–12 weeks of age at enrollment. Infants were considered at risk of poor risk of growth and development per WHO: underweight (weight-for-age Z-score, WAZ < −2), wasted (weight-for-length Z-score, WLZ < −2), or MUAC < 11.0 cm among infants ≥6 weeks of age. Infants were randomized to a single oral (20 mg/kg) dose of azithromycin or matching placebo and were followed until 6 months of age. We evaluated vital status, underweight (WAZ < −2), wasting (WLZ < −2), and stunting (length-for-age Z-score, LAZ) at 6 months among infants at risk of poor growth and development based on WHO single measurement criteria. Results A total of 54,709 infants were enrolled in the two trials. Of these, 9,728 were at risk of poor growth and development based on baseline WAZ (N = 5,385), WLZ (N = 6,022), or MUAC (N = 1,541). We found no evidence of a difference in mortality (1.3% vs 1.1%, odds ratio, OR, 1.19, 95% confidence interval, CI, 0.82 to 1.72) or wasting (20.6% vs 20.2%, OR 1.03, 95% CI 0.92 to 1.14) at 6 months among infants receiving azithromycin versus placebo. Conclusions In infants aged 1–12 weeks at risk of poor growth and development, we do not have evidence that single dose azithromycin reduces mortality or improves growth outcomes. Trial registration ClinicalTrials.gov NCT03682654 and NCT03676764.

Research of the reasons for people’s willingness to take overtaking behavior in emergency evacuation based on the theory of extended planned behavior

Mediating role of inflammatory markers in the relationship between cotinine levels and total bone mineral density

Objectives This study investigates the relationship between smoking and total BMD and examines the mediating role of inflammatory markers in this relationship. Method In total, 22,022 participants were included in this study, based on data from the National Health and Nutrition Examination Survey for the periods 2001–2006 and 2011–2018. Weighted linear regression models and restricted cubic splines(RCS) were leveraged to examine the linear or nonlinear relationship between serum cotinine levels and total BMD. Additionally, mediation analysis was leveraged to appraise the potential mediating effects of inflammatory markers, such as lymphocytes, monocytes, neutrophils, and platelets, in the relationship between cotinine and total BMD. Results After fully adjusting for all covariates, an increase of one unit in cotinine corresponded to a 0.00022 g/cm2 decrease in total BMD (Beta = −0.00022, 95% CI: −0.0003 ~ −0.0000, P = 0.0069). The RCS analysis indicated an “n-shaped” relationship between cotinine and total BMD (P-nonlinear = 0.0069). According to the mediation analysis, monocytes and neutrophils acted as mediators in the relationship between cotinine and total BMD, with mediation effects accounting for 19.8% and 19.6%, respectively. Conclusions Smoking serves as a risk factor for reduced BMD, and the impact on BMD is partially mediated by inflammatory markers such as monocytes and neutrophils. Platelets can moderate the effect of cotinine on total BMD to some extent.

Barrier recrossing dynamics and phenomenological rate equations from single-molecule perspective

The trajectory of a molecular system undergoing a reversible reaction A ⇌ B and crossing and recrossing a transition state separating the reactant and product consists of loops, i.e., excursions from the transition state to either side and back to the transition state. Motivated by recent experimental observations of loops, here, we discuss some of their statistical properties. In particular, we highlight that the transition-state rate is not only an upper bound on the true reaction rate but also a physical property of the loops. We further find that loops can be unambiguously divided into two sub-ensembles. Those consist of short loops, which are brief excursions from the transition state, and long loops that get trapped in the reactant or product wells before eventually returning to the barrier. Finally, we show that the loop time distribution contains information about both the reaction rate coefficients and their transition-state-theory counterparts.

Viability of low solar efficiency materials for photoelectrochemical separations via thermodynamic modeling

Reactions between Ta<i>x</i>O<i>y</i>− (<i>x</i> = 1–5, <i>y</i> = 0–7) cluster anions and C1–C3 alkanes

Light alkanes, such as methane, ethane, and propane, are pivotal feedstocks in the chemical industry. However, their activation and transformation remain challenging due to the intrinsic chemical inertness of the C(sp3)–H bonds, particularly under mild reaction conditions. Gas-phase metal clusters serve as an ideal platform for probing mechanisms of alkane activation at a molecular level. Herein, we systematically investigated the reactions of gas-phase tantalum oxide anions (TaxOy−, x = 1–5, y = 1–7) with CH4, C2H6, and C3H8 combining mass spectrometry experiments and density functional theory (DFT) calculations. Among the 27 mass-selected clusters, the Ta2O4− cluster has exceptional reactivity, converting ethane and propane to free alkenes with rate constants significantly higher than other reactive clusters. In contrast, most clusters, including Ta2O1–3− and Ta2O5−, have negligible reactivity or conventional dehydrogenation pathways to form free H2. The DFT calculations revealed that the unique reactivity of Ta2O4− originates from its distinct electronic and geometric structures. In the reaction of Ta2O4− with C2H6, the flexible geometric structures of the critical transition state (TS) result in a high number of vibrational states above the TS, which leads to alkene rather than dihydrogen formation. A novel strategy to tune metal cluster reactivity and product selectivity toward alkanes is thus provided.

Anti-CV2/CRMP5 autoantibodies as drivers of sensory neuron excitability and pain in rats

Quantum tunneling and anti-tunneling across entropic barriers

We study the dynamics of a quantum particle in a constricted two-dimensional channel and analyze how the onset of quantum corrections impacts the (semi-)classical high-temperature behavior as temperature is lowered. We characterize both equilibrium and non-equilibrium (transport) properties of the system, considering the case of a narrow and disorder-free channel. Counterintuitively, we find that quantum corrections do not monotonically enhance the particle current as the temperature is lowered, as naively expected from the activation of coherent tunneling, but they rather inhibit transport at intermediate temperatures, increasing the effective free-energy barrier. We illustrate this “anti-tunneling” effect numerically by computing the non-equilibrium steady-state of a quantum master equation describing the system and confirm it analytically by adopting the quantum Smoluchowski limit.

Utilizing alkaline solid waste for low-carbon construction material via in-situ calcium phase design

Photochemistry of ClClS and ClSCl isomers

The photochemistry of chlorine–sulfur species is central to Venus’s atmospheric chemistry, particularly concerning the unidentified near-UV absorber. This study investigates the electronic structure, spectroscopy, and photochemistry of the ClSCl and ClClS isomers, with implications for their potential role as near-UV absorbers in Venus’ atmosphere. High-level CCSD(T) and MRCI+Q calculations indicate that ClSCl is the global minimum, but ClClS is 2.34 eV higher in energy. For ClSCl, the photo-absorption cross-section displays a strong deep-UV peak at 197 nm and a much weaker band centered near 370 nm. In contrast, ClClS shows two comparatively intense near-UV bands at 350 and 271 nm. Potential energy surface analyses show that ClSCl’s excited states undergo non-adiabatic coupling upon near-UV irradiation, with deep-UV excitation leading to rapid ClS + Cl formation. Although both isomers absorb in the same near-UV spectral range as the unknown Venus absorber, these isomers are photochemically unstable under the actinic UV radiation and so are unable to play major roles.

Structural insights into polymerase-catalyzed FAD capping of hepatitis C virus RNA

Spin and charge control in conjugated ionic oligomers: DFT and EPR study

The initial oxidized trans-polyacetylene and polythiophene-based conjugated oligomers, as well as their composites with polycyclic aromatic hydrocarbons, were studied by density functional theory (DFT) and electron paramagnetic resonance methods. The relative electronic density and spin population of each oligomer atom are obtained within the framework of different formalisms. The stabilization of different spin charge carriers in different poly(3-alkylthiophene)-based oligomers is shown. The role of the hybridization of the molecular orbitals of oligomers in stabilizing these charge carriers on an oligomer chain is analyzed. The main parameters of the spin Hamiltonian of spin charge carriers formed in compounds with various structures and morphologies are determined. A significant change in the electronic and magnetic properties of these charge carriers is shown to occur upon the modification of oligomers with graphene-like polycyclic aromatic hydrocarbons owing to hyperfine coupling of their extended π-conjugated structures. Magic numbers of some graphene-like additives with stabilized structural and electronic parameters were determined. This interaction is initiated by spin polarization, depends on the polycyclicity of the aromatic additive, and is characterized by several extremes. This effect was assumed to arise as a result of cross-coupling of oligomers and graphene-like subsystems with enhanced stability and electronic or/and magnetic properties. It enhances their hyperfine exchange coupling, and it affects a barrier for the spin magnetization switching. Such composite spin-filter functionality can be used in fully organic spin‒controlled molecular devices. This should have an impact on the wide fields of fully organic spintronics, nanotechnology, and quantum devices by controlling and manipulating spin and charge.

Ribosome biogenesis in plants requires the nuclear envelope and mitochondria localized OPENER complex

Abstract Eukaryotic ribosome biogenesis proceeds from nucleolus to cytosol assisted by various assembly factors. The process is evolutionarily conserved across eukaryotes but differences between the kingdoms are emerging. Here, we describe how the OPENER (OPNR) protein complex is required for 60S ribosome assembly in the model plant Arabidopsis thaliana. The complex is observed on both nuclear envelope and mitochondria, and contains OPNR, OPENER ASSOCIATED PROTEIN 1 (OAP1), OAP2, Cell Division Cycle 48 D (CDC48D) and Calmodulin-interacting protein 111 (CIP111). Depletion of the OPNR complex components results in reproductive lethality and cytoplasmic retention of assembly factors on 60S ribosomes. Subsequent biochemical analyses and structural modelling suggest that OPNR, OAP1 and OAP2 form a claw-like trimer which grabs the ribosome assembly factor RIBOSOMAL PROTEIN L24C (RPL24C) on the pre-60S ribosome. Our results reveal previously unrecognised subcellular complexity of ribosome biogenesis in plants, and point to mitochondria association as a feature to ensure sufficient translational capacity.

Fluctuations in the <i>μpT</i> ensemble

We work out the statistical ensemble of an equilibrium macroscopic system composed of particles interacting via short-range forces in a completely open situation in which heat, mechanical work, and matter can be exchanged with the surroundings. Attention is focused on variances and covariances of extensive properties, with particular emphasis on their connection with thermodynamic response functions like the isothermal compressibility or the isobaric thermal expansivity. The exact formulas we derive prove that, with full generality, response functions quantify variances and covariances of ratios between extensive properties such as the number density, the enthalpy per particle, or the “Hill energy” per unit volume. Results for grand canonical or isothermal–isobaric ensembles are recovered when either the volume or the number of particles are fixed, while consistency with Einstein’s thermodynamic theory is also encountered. A water-like Ising model illustrates how the standard mean-field approach proceeds in the ensemble, while it validates the correctness of our fluctuation formulas numerically. A potential usefulness of the ensemble to deepen on the phenomenological pattern of behavior of thermodynamic systems shows up.