Miracle-dz/UniFAR-FTUs huggingface dataset:
Electrochemical and Mechanistic Study of Oxidative Degradation of Favipiravir by Electrogenerated Superoxide through Proton-Coupled Electron Transfer

Electrochemical analyses aided by density functional theory calculations were used to investigate the oxidative degradation of pyrazine antiviral drugs, 3-hydroxypyrazine-2-carboxamide (T-1105) and 6-fluoro-3-hydroxypyrazine-2-carboxamide (favipiravir, T-705), by the electrogenerated superoxide radical anion (O2•–). T-1105 and T-705 are antiviral RNA nucleobase analogues that selectively inhibit the RNA-dependent RNA polymerase. They are expected as a drug candidate against various viral infections, including COVID-19. The pyrazine moiety was decomposed by O2•– through proton-coupled electron transfer (PCET). Our results show that its active form, pyrazine-ribofuranosyl-5′-triphosphate, is easily oxidized under inflamed organs by overproduced O2•– through the PCET mechanism in the immune system. This mechanistic study implies that the oxidative degradation of pyrazine derivatives will be prevented by controlling the PCET through simple modification of the pyrazine structure.
Higher Depth False Modular Forms

False theta functions are functions that are closely related to classical theta functions and mock theta functions. In this paper, we study their modular properties at all ranks by forming modular completions analogous to modular completions of indeﬁnite theta functions of any signature and thereby develop a structure parallel to the recently developed theory of higher depth mock modular forms. We then demonstrate this theoretical base on a number of examples up to depth three coming from characters of modules for the vertex algebra W 0 ( p ) A n , 1 ≤ n ≤ 3, and from ˆ Z -invariants of 3-manifolds associated with gauge group SU(3).
Role of SALL4 and Nodal in the prognosis and tamoxifen resistance of estrogen receptor-positive breast cancer

Despite the discovery of a number of different mechanisms underlying tamoxifen resistance, its molecular pathway is not completely clear. The upregulation of SALL4 and Nodal has been reported in breast cancer. Nevertheless, their role in tamoxifen resistance has not been investigated. In the present study, we compared Nodal and SALL4 expression in 72 tamoxifen sensitive (TAMS) and tamoxifen-resistant (TAMR) patients. Afterward, the correlation of expression data with clinicopathological features and survival of patients was studied. Results showed that both SALL4 and Nodal were significantly upregulated in TAMR compared to TAMS patients. Besides, there was a positive association between Nodal and SALL4 expression. Furthermore, we evaluated their correlation with the expression of Oct4, Nanog and Sox2 stemness markers. The results demonstrated that in most tissue samples there was a positive correlation between Nodal and SALL4 expression with these stemness markers. Besides, the overexpression of SALL4 and Nodal significantly correlated with the N stage. Moreover, the overexpression of SALL4 was associated with extracapsular invasion and lymphatic invasion. High level expressions of SALL4 and Nodal had a significant association with worse disease-free survival (DFS) rates. In addition, increased level of Nodal expression provides a superior predictor factor for DFS. The multivariate Cox regression analysis also revealed that for DFS, perineural invasion (PNI) was independently an unfavorable prognostic value. These findings suggest that the high expression of SALL4 and Nodal could contribute to tamoxifen resistance and worse survival rates in tamoxifen-treated ER+ breast cancer patients.
Boolean proportions

The author has recently introduced an abstract algebraic framework of analogical proportions within the general setting of universal algebra. This paper studies analogical proportions in the boolean domain consisting of two elements 0 and 1 within his framework. It turns out that our notion of boolean proportions coincides with two prominent models from the literature in different settings. This means that we can capture two separate modellings of boolean proportions within a single framework which is mathematically appealing and provides further evidence for the robustness and applicability of the general framework.
Safety and Efficacy of Tenapanor for Long-term Serum Phosphate Control in Maintenance Dialysis: A 52-Week Randomized Phase 3 Trial (PHREEDOM)

Visual Abstract Key Points Tenapanor is a first-in class inhibitor of NHE3 and acts via a nonphosphate-binding mechanism to reduce intestinal phosphate absorption. In the efficacy analysis set, patients randomized to tenapanor experienced a decrease in serum phosphate from 7.7 mg/dl to 5.1 mg/dl. Diarrhea was the only drug-related adverse event reported for more than 5% of patients and resulted in drug discontinuation in 16% of patients. Background Treating hyperphosphatemia is a tenet of dialysis care. This trial assessed the safety and efficacy of tenapanor for the management of hyperphosphatemia. Methods In this 52-week phase 3 study (NCT03427125), participants receiving maintenance dialysis with both hyperphosphatemia (serum phosphate 6.0–10.0 mg/dl) and a 1.5 mg/dl increase after phosphate binder washout were randomized (3:1) to tenapanor 30 mg twice daily for 26 weeks (randomized treatment period) or sevelamer carbonate (52-week safety control). Participants completing 26 weeks of treatment with tenapanor were rerandomized (1:1) to tenapanor or placebo for 12 weeks (randomized withdrawal period), and were eligible to enter the 14-week safety extension period. With input from the US Food and Drug Administration, the primary efficacy end point was the difference in the change in serum phosphate from the end of the randomized treatment period to the end of the randomized withdrawal period, among participants who achieved ≥1.2 mg/dl decrease in serum phosphate during the randomized treatment period (efficacy analysis set). Efficacy was also evaluated in the intention-to-treat (ITT) analysis set. Results Of 564 eligible participants randomized to receive tenapanor (n=423) or sevelamer carbonate (n=141) during the randomized treatment period, 255 (60%) in the tenapanor group subsequently were rerandomized to tenapanor (n=128) or placebo (n=127) during the randomized withdrawal period. In the efficacy analysis set (n=131), the difference in estimated mean change in serum phosphate level between tenapanor and placebo from the beginning to the end of the randomized withdrawal period was −1.4 mg/dl (P<0.0001); in the ITT analysis set (n=243), the estimated mean difference was −0.7 mg/dl (P=0.002). Loosened stools were the most frequently reported adverse event (53% during the randomized treatment period). Serious adverse events were reported more frequently for participants treated with sevelamer carbonate (16%–23% across the three study periods) compared with tenapanor (11%–17%). Conclusions Tenapanor reduced serum phosphate concentrations and maintained control of serum phosphate in participants receiving maintenance dialysis, with an acceptable safety and tolerability profile.
A Survey of Exploration Methods in Reinforcement Learning

Exploration is an essential component of reinforcement learning algorithms, where agents need to learn how to predict and control unknown and often stochastic environments. Reinforcement learning agents depend crucially on exploration to obtain informative data for the learning process as the lack of enough information could hinder effective learning. In this article, we provide a survey of modern exploration methods in (Sequential) reinforcement learning, as well as a taxonomy of exploration methods.
Strong increase in ultrasound attenuation below 
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Recent experiments suggest that the superconducting order parameter of Sr$_2$RuO$_4$ has two components. A two-component order parameter has multiple degrees of freedom in the superconducting state that can result in low-energy collective modes or the formation of domain walls -- a possibility that would explain a number of experimental observations including the smallness of the time reversal symmetry breaking signal at T$_\mathrm{c}$ and telegraph noise in critical current experiments. We perform ultrasound attenuation measurements across the superconducting transition of Sr$_2$RuO$_4$ using resonant ultrasound spectroscopy (RUS). We find that the attenuation for compressional sound increases by a factor of seven immediately below T$_\mathrm{c}$, in sharp contrast with what is found in both conventional ($s$-wave) and high-T$_\mathrm{c}$ ($d$-wave) superconductors. We find our observations to be most consistent with the presence of domain walls between different configurations of the superconducting state. The fact that we observe an increase in sound attenuation for compressional strains, and not for shear strains, suggests an inhomogeneous superconducting state formed of two distinct, accidentally-degenerate superconducting order parameters that are not related to each other by symmetry. Whatever the mechanism, a factor of seven increase in sound attenuation is a singular characteristic with which any potential theory of the superconductivity in Sr$_2$RuO$_4$ must be reconciled.
Spin–Orbit Coupling Is the Key to Promote Asynchronous Photoinduced Charge Transfer of Two-Dimensional Perovskites

Two-dimensional (2D) perovskites are emerging as promising candidates for diverse optoelectronic applications because of low cost and excellent stability. In this work, we explore the electronic structures and interfacial properties of (4Tm)2PbI4 with both the collinear and noncollinear DFT (PBE and HSE06) methods. The results evidently manifest that explicitly considering the spin–orbit coupling (SOC) effects is necessary to attain correct band alignment of (4Tm)2PbI4 that agrees with recent experiments (Nat. Chem.2019, 11, 115131712613; Nature2020, 580, 61432350477). The subsequent time-domain noncollinear DFT-based nonadiabatic carrier dynamics simulations with the SOC effects reveal that the photoinduced electron and hole transfer processes are asymmetric and associated with different rates. The differences are mainly ascribed to considerably different nonadiabatic couplings in charge of the electron and hole transfer processes. Shortly, our current work sheds important light on the mechanism of the interfacial charge carrier transfer processes of (4Tm)2PbI4. The importance of the SOC effects on correctly aligning the band states of (4Tm)2PbI4 may be generalized to similar organic–inorganic hybrid 2D perovskites having heavy Pb atoms.
Development and Validation of the Stalking and Obsessive Relational Intrusions Questionnaire (SORI-Q)

Stalking and obsessive relational intrusions both refer to a pervasive and unwanted pattern of pursuit behaviors, the former being a criminal offense evoking fear and a sense of menace in the victim, while the latter may be perceived as annoying or otherwise undesirable, but not necessarily fear inducing. While the individual and societal costs of stalking and obsessive relational intrusion are increasingly recognized, research regarding these behaviors and their consequences has been limited by measurement issues, as most studies have relied on questionnaires and checklists based on very limited validation data. The goal of the present study is to report on the development and validation of the Stalking and Obsessive Relational Intrusions Questionnaire (SORI-Q), a 28-item self-report questionnaire designed to probe for perpetration of stalking-like behaviors. Young adults (age 18–30 years) from a community sample (N = 1,804; 82.6% women) were recruited online. They completed the SORI-Q, along with measures of dark personality traits, insecure attachment dimensions, and intimate partner violence. Overall, the SORI-Q displayed sound psychometric properties. Exploratory and Confirmatory Factor Analysis yielded a two-factor solution (Hyper-intimacy and Domineering control) with adequate to good fit indices. The total scale and the two factor scores showed high internal consistency (above 0.70 for all indices). A number of gender differences were observed at total-, factor-, and item-level, the most outstanding being that women had a higher score on the total SORI-Q score, and on the Domineering control factor and most of its items. The questionnaire showed conceptually meaningful positive correlations with dark personality traits, attachment anxiety, and intimate partner violence. Dominance analysis revealed that attachment anxiety and Machiavellianism were the strongest statistical predictors of SORI-Q scores. The SORI-Q should be seen as a promising new measure of stalking-like and ORI behaviors in young adults from community settings.
Contemporary Patients With Congenital Heart Disease

Supplemental Digital Content is available in the text. Background: Poor outcome after atrial tachycardia (AT) radiofrequency catheter ablation (RFCA) in repaired congenital heart disease (CHD) has been attributed to CHD complexity. This may not apply to contemporary patients. The objective of our study was to assess outcome after RFCA for AT in contemporary patients with CHD according to prior atrial surgery and predefined procedural endpoints. Methods: Patients with CHD referred for AT RFCA to 3 European centers were classified as no atrial surgery/cannulation only, limited or extensive prior atrial surgery. Procedural success was predefined as termination and nonreinducibility for focal AT and bidirectional block across ablation lines for intra-atrial reentrant tachycardia and after empirical substrate ablation for noninducible patients. Patients were followed for AT recurrence and mortality. Results: Ablation was performed in 290 patients (41±17 years, 59% male; 3-dimensional mapping 89%, irrigated tip catheters 90%, transbaffle access 15%). In 197, 233 AT were targeted (196 intra-atrial reentrant tachycardia [64% cavotricuspid (mitral) isthmus–dependent, 33% systemic-venous incision–dependent] and 37 focal AT). In 93 noninducible patients, empirical substrate ablation was performed. Procedural success was achieved in 209 (84%) patients. AT recurred in 148 (54%) 10 (interquartile range, 0–25) months after RFCA. AT-free survival was significantly better in patients with no atrial repair/cannulation only and in patients with complete procedural success independently of CHD complexity. From 94 patients undergoing reablation, the initially targeted substrate had recovered in 64%. Conclusions: In contemporary patients with CHD, outcome after AT ablation is associated with presence of prior atrial surgery and achievement of predefined procedural endpoints rather than CHD complexity. Techniques to improve lesion durability are likely to further improve long-term outcome.
Efficacy and safety of early initiation of Sacubitril/Valsartan in patients after acute myocardial infarction: A meta‐analysis

Some randomized controlled trials have compared the effectiveness and safety outcomes between early initiation of Sacubitril/Valsartan and angiotensin‐converting enzyme inhibitors (ACEIs) in patients after acute myocardial infarction. Therefore, our current meta‐analysis aimed to clarify the confusion. Four Databases and relevant grey literature were searched for studies from inception to July 2, 2021. Two reviewers independently screened literature, extracted data, and assessed the risk of bias. Four studies involving 6154 patients were included to perform meta‐analysis. The results of meta‐analysis showed that the left ventricular ejection fraction in the Sacubitril/Valsartan group was higher than the ACEI group (SMD: 0.37, 95% CI: 0.19–0.55, P = .000), the incidence of major adverse cardiac events in the Sacubitril/Valsartan group was lower than the ACEI group (RR: 0.61, 95% CI: 0.46–0.82, P = .001), while the incidences of cardiac death (RR: 1.00, 95% CI: 0.81–1.24, P = 1.000) and the heart failure hospitalization (RR: 0.62, 95% CI: 0.37–1.03, P = .065) showed no difference. For the incidences of myocardial infarction and the adverse side effects, there was no obvious advantage of the Sacubitril/Valsartan group over the ACEI group, because the meta‐analysis was not performed due to the limited trials. This study indicated that early initiation of Sacubitril/Valsartan in patients after acute myocardial infarction was superior to ACEI in reducing the risks of major adverse cardiac events and left ventricular ejection fraction increasing. As for the other outcomes (the incidences of cardiac death, the heart failure hospitalization, the myocardial infarction and the adverse side effects), Sacubitril/Valsartan showed no obvious advantage than ACEI.
Structure of holographic BCFT correlators from geodesics

We compute correlation functions, specifically 1-point and 2-point functions, in holographic boundary conformal field theory (BCFT) using geodesic approximation. The holographic model consists of a massive scalar field coupled to a Karch-Randall brane—a rigid boundary in the bulk AdS space. Geodesic approximation requires the inclusion of paths reflecting off of this brane, which we show in detail. For the 1-point function, we find agreement between geodesic approximation and the harder ∆-exact calculation, and we give a novel derivation of boundary entropy using the result. For the 2-point function, we find a factorization phase transition and a mysterious set of anomalous boundary-localized BCFT operators. We also discuss some puzzles concerning these operators.
Fixed-Time Adaptive Neural Network Control for Nonlinear Systems With Input Saturation

This study concentrates on the tracking control problem for nonlinear systems subject to actuator saturation. To improve the performance of the controller, we propose a fixed-time tracking control scheme, in which the upper bound of the convergence time is independent of the initial conditions. In the control scheme, first, a smooth nonlinear function is employed to approximate the saturation function so that the controller can be designed under the framework of backstepping. Then, the effect of input saturation is compensated by introducing an auxiliary system. Furthermore, a fixed-time adaptive neural network control method is given with the help of fixed-time control theory, in which the dynamic order of controllers is reduced to a certain extent since there is only one updating law in the entire control design. Through rigorous theoretical analysis, it is concluded that the proposed control scheme can guarantee that: 1) the output tracking error can converge to a small neighborhood near the origin in a fixed time and 2) all signals in the closed-loop system are bounded. Finally, a numerical example and a practical example based on the single-link manipulator are provided to verify the effectiveness of the proposed method.
Prenatal nutrition supplementation and growth biomarkers in preadolescent Bangladeshi children: A birth cohort study

Abstract Little is known about the usefulness of biomarkers to study the influence of prenatal nutrition supplementation in improving child growth. Anthropometry is not always straightforward to understand how nutrition might impact growth, especially in settings with high rates of malnutrition and infections. We examined the effects of prenatal supplementation on growth and growth biomarkers and the relationship between anthropometric measures and growth biomarkers of children at 4.5 and 9 years of age. Children were enrolled from a longitudinal cohort, where mothers were randomized into daily supplementation with either early‐food (≤9 gestation week [GW]) or usual‐food (~20 GW) (608 kcal 6 days/week); they were further randomized to receive 30‐mg or 60‐mg iron with 400‐μg folic acid, or multiple micronutrients (MM) in rural Bangladesh. Anthropometric data were collected from mothers at GW8 and children at 4.5 (n = 640) and 9 years (n = 536). Fasting blood was collected from children at each age. Early‐food supplementation showed reduced stunting and underweight at 4.5 and 9 years age respectively compared to usual‐food. Prenatal supplementations did not have any effect on growth biomarkers except for STAT5b expression which was lower in the early‐food compared to the usual‐food group (β = −0.21; 95 CI% = −0.36, −0.07). Plasma concentrations of 25‐hydroxy vitamin D and calcium were both inversely associated with weight‐for‐age and body mass index‐for‐age Z‐scores at 9 years, particularly in early‐food and MM groups. Although there was minimal effect on child growth by prenatal supplementations, the associations of biomarkers with anthropometric indices were predominantly driven by timing of food or MM supplementations.
Stability of tropical forest tree carbon‐water relations in a rainfall exclusion treatment through shifts in effective water uptake depth

Increasing severity and frequency of drought is predicted for large portions of the terrestrial biosphere, with major impacts already documented in wet tropical forests. Using a 4‐year rainfall exclusion experiment in the Daintree Rainforest in northeast Australia, we examined canopy tree responses to reduced precipitation and soil water availability by quantifying seasonal changes in plant hydraulic and carbon traits for 11 tree species between control and drought treatments. Even with reduced soil volumetric water content in the upper 1 m of soil in the drought treatment, we found no significant difference between treatments for predawn and midday leaf water potential, photosynthesis, stomatal conductance, foliar stable carbon isotope composition, leaf mass per area, turgor loss point, xylem vessel anatomy, or leaf and stem nonstructural carbohydrates. While empirical measurements of aboveground traits revealed homeostatic maintenance of plant water status and traits in response to reduced soil moisture, modeled belowground dynamics revealed that trees in the drought treatment shifted the depth from which water was acquired to deeper soil layers. These findings reveal that belowground acclimation of tree water uptake depth may buffer tropical rainforests from more severe droughts that may arise in future with climate change.
Design characteristics of in situ and operando ultraviolet-visible and vibrational spectroscopic reaction cells for heterogeneous catalysis

ABSTRACT This article focuses on reaction cells for in situ/operando studies of heterogeneous catalysts by ultraviolet-visible (UV-vis) and vibrational (IR and Raman) spectroscopies and mainly focuses on transmission, internal reflection, diffuse reflectance, and scattering techniques. Its objective is to present a general overview of the most common commercial and homemade reaction cell designs, their main design characteristics, and limitations to serve as a guide for their selection or the design of new in situ/operando cells. It will be shown that there are currently many designs for different specific catalytic applications. However, an ideal reaction cell for a wide range of catalytic in situ and operando reaction conditions does not exist (yet), that is, with low dead volume (i.e., for fast dynamic response to process feed changes, within tens of seconds), high temperatures (> 500°C), high pressures (>30 bar), low cost, enough sample capacity (for operando studies, in the tens of mg), good spectroscopic response, resemblance to laboratory scale reactors, and reactor wall inertness, among others.