Miracle-dz/UniFAR-FTUs huggingface dataset:
Spirofused Tetrahydroisoquinoline-Oxindole Hybrids (Spiroquindolones) as Potential Multitarget Antimalarial Agents: Preliminary Hit Optimization and Efficacy Evaluation in Mice

Previous studies suggest that 3′,5′-dihydro-2′H-spiro[indoline-3,1′-isoquinolin]-2-ones (DSIIQs [spiroquindolones]) are multitarget antiplasmodial agents that combine the actions of spiroindolone and naphthylisoquinoline antimalarial agents. In this study, 12 analogues of compound (±)-5 (moxiquindole), the prototypical spiroquindolone, were synthesized and tested for antiplasmodial activity. Compound (±)-11 (a mixture of compounds 11a and 11b), the most potent analogue, displayed low-nanomolar activity against P. falciparum chloroquine-sensitive 3D7 strain (50% inhibitory concentration [IC50] for 3D7 = 21 ± 02 nM) and was active against all major erythrocytic stages of the parasite life cycle (ring, trophozoite, and schizont); it also inhibited hemoglobin metabolism and caused extensive vacuolation in parasites. In drug-resistant parasites, compound (±)-11 exhibited potent activity (IC50 for Dd2 = 58.34 ± 2.04 nM) against the P. falciparum multidrug-resistant Dd2 strain, and both compounds (±)-5 and (±)-11 displayed significant cross-resistance against the P. falciparum ATP4 mutant parasite Dd2 SJ733 but not against the Dd2 KAE609 strain. ABSTRACT Previous studies suggest that 3′,5′-dihydro-2′H-spiro[indoline-3,1′-isoquinolin]-2-ones (DSIIQs [spiroquindolones]) are multitarget antiplasmodial agents that combine the actions of spiroindolone and naphthylisoquinoline antimalarial agents. In this study, 12 analogues of compound (±)-5 (moxiquindole), the prototypical spiroquindolone, were synthesized and tested for antiplasmodial activity. Compound (±)-11 (a mixture of compounds 11a and 11b), the most potent analogue, displayed low-nanomolar activity against P. falciparum chloroquine-sensitive 3D7 strain (50% inhibitory concentration [IC50] for 3D7 = 21 ± 02 nM) and was active against all major erythrocytic stages of the parasite life cycle (ring, trophozoite, and schizont); it also inhibited hemoglobin metabolism and caused extensive vacuolation in parasites. In drug-resistant parasites, compound (±)-11 exhibited potent activity (IC50 for Dd2 = 58.34 ± 2.04 nM) against the P. falciparum multidrug-resistant Dd2 strain, and both compounds (±)-5 and (±)-11 displayed significant cross-resistance against the P. falciparum ATP4 mutant parasite Dd2 SJ733 but not against the Dd2 KAE609 strain. In mice, both compounds (±)-5 and (±)-11 displayed dose-dependent reduction of parasitemia with suppressive 50% effective dose (ED50) values of 0.44 and 0.11 mg/kg of body weight, respectively. The compounds were also found to be curative in vivo and are thus worthy of further investigation.
Kinetic coefficient of Ni solid-liquid interfaces from molecular-dynamics simulations .

The kinetics of isothermal crystallization and melting are studied for elemental Ni employing non-equilibrium molecular-dynamics simulations based on interatomic potentials of the embedded-atom-method form. These simulations form the basis for calculations of the magnitude and crystalline anisotropy of the kinetic coefficient μ, defined as the constant of proportionality between interface velocity and undercooling. We obtain highly symmetric rates for crystallization and melting, from which we extract the following values of μ for low index {100}, {110}, and {111} interfaces: μ 1 0 0 =35.8′22, μ 1 1 0 =25.5′1.6, and μ 1 1 1 =24.1 ′4.0 in units of cm/s K. The results of the present study are discussed in the context of previous molecular-dynamics simulations for related systems, and kinetic models based upon transition-state and density-functional theories.
Non-Gaussian ancilla states for continuous variable quantum computation via Gaussian maps

We investigate non-Gaussian states of light as ancillary inputs for generating nonlinear transformations required for quantum computing with continuous variables. We consider a recent proposal for preparing a cubic phase state, find the exact form of the prepared state and perform a detailed comparison to the ideal cubic phase state. We thereby identify the main challenges to preparing an ideal cubic phase state and describe the gates implemented with the non-ideal prepared state. We also find the general form of operations that can be implemented with ancilla Fock states, together with Gaussian input states, linear optics, squeezing transformations, and homodyne detection with feed forward, and discuss the feasibility of continuous variable quantum computing using ancilla Fock states.
A concave-grating vacuum spectrograph for wave-lengths 15 to 1000A

A vacuum spectrograph for work with soft x rays is described. It employs a 1-metre concave grating in the grazing-incidence position. The instrument is designed to permit the optical system to be adjusted before it is placed in the vacuum chamber, so that trial-and-error focusing may be minimized. It makes provision for varying the grazing angle without any necessity for readjustment. Tests of the instrument are described and discussed.
Measurement of electron wave functions and confining potentials via photoemission

Wave functions and electron potentials of laterally confined surface states are determined experimentally by means of photoemission from stepped Au(111) surfaces. The confined nature of the wave function makes it possible to use an iterative formalism borrowed from x-ray diffraction where real-space wave functions are retrieved from the absolute values of their Fourier transforms. The latter are measured by angle-resolved photoemission. The effective confining potential is then obtained by introducing the wave functions into Schr\"odinger's equation.
Transient High-energy Gamma-Rays and Neutrinos from Nearby Type II Supernovae

A dense wind environment (or circumstellar medium) may be ubiquitous in regular Type II supernovae (SNe II) before explosion, the interaction of which with the SN ejecta could result in a wind breakout event. The shock generated by the interaction of the SN ejecta and the wind can accelerate protons and subsequently high-energy gamma-rays and neutrinos could arise from inelastic pp collisions. In this work, we present detailed calculations of gamma-ray and neutrino production for regular SNe II. The calculations are executed by applying time-dependent evolution of dynamic and proton distributions so that the emission can be shown at different times. Our results show, for the SN 2013fs-like wind environment, multi-GeV and a few hundred TeV gamma-rays are detectable with a time window of several days at ≲2–3 Mpc by Fermi/LAT and the Cerenkov Telescopes Array during the ejecta–wind interaction, respectively, and can be detected at a further distance if the wind environment is denser. We find the contribution of wind breakouts of regular SNe II to diffusing neutrino flux is subdominant by assuming all SNe II are SN 2013fs-like, whereas for a denser wind environment the contribution could be conspicuous above 300 TeV.
In Situ Confinement of Ultrasmall Metal Nanoparticles in Short Mesochannels for Durable Electrocatalytic Nitrate Reduction with High Efficiency and Selectivity

Electrocatalytic reduction is a sustainable approach for NO3− removal and high‐value N‐containing compounds manufacturing, which, however, is strongly obstructed by sluggish kinetics, low selectivity, and poor stability. Herein, the in situ confinement of ultrasmall CuPd alloy nanoparticles in mesochannels of conductive core–shell structured carbon nanotubes@mesoporous carbon substrates (CNTs@mesoC@CuPd) via a simple molecule‐mediated interfacial assembly method is reported. As a catalyst for electrocatalytic NO3− reduction, the CNTs@mesoC@CuPd shows a splendid conversion efficiency (100%), N2 selectivity (98%), cycling stability (>30 days), and removal capacity as high as 30 000 mg N g−1 CuPd, which are much superior to most of the prior reports. Notably, experimental (in situ testing and isotopic labeling) and theoretical results unveil that bimetallic and monometallic catalysts for electrocatalytic NO3− reduction exhibit exclusive selectivity for N2 and NH3, respectively. This in situ confinement strategy is universal for the synthesis of stable and highly accessible metallic catalysts, which opens an appealing way to synthesize advanced catalysts with high activity, selectivity, and stability.
Azithromycin use prior to ICU admission is associated with a lower short-term mortality for critically ill acute exacerbations of chronic obstructive pulmonary disease patients: A retrospective cohort study

Azithromycin was thought to prevent acute exacerbations of chronic obstructive pulmonary disease (AECOPDs) by anti-microbial and anti-inflammatory effects. However, it′s value in the treatment of critically ill patients with AECOPD before ICU admission remains unclear. Our study aimed to find whether azithromycin use prior to ICU admission leads to better clinical outcomes for those individuals. 533 critically ill patients with AECOPD from the MIMIC-IV database were included. Univariate followed multivariate logistic regression was used to select risk factors for short-term mortality. The multivariable logistic regression models were implemented to investigate the association between azithromycin use before ICU admission and short-term mortality. Lower short-term mortality was observed in the azithromycin group (p = .021), independent of differences in demographic data and other clinical outcomes (p>.05). Azithromycin use before ICU admission was proved to have a decreased short-term mortality by multivariable logistic regression (p<.05). The results remained consistent after being stratified by age, SOFA scores, pH, and cancer diagnosis. Azithromycin use prior to ICU admission was associated with lower short-term mortality for critically ill AECOPD patients.
OBSERVATION OF ANDREEV REFLECTION ENHANCED SHOT NOISE

We have experimentally investigated the quasiparticle shot noise in NbN/MgO/NbN superconductor-insulator-superconductor tunnel junctions. The observed shot noise is significantly larger than theoretically expected. We attribute this to the occurrence of multiple Andreev reflection processes in pinholes present in the MgO barrier. This mechanism causes the current to flow in large charge quanta (Andreev clusters), with a voltage dependent average value of m approximate to 1 + 2 Delta/eV times the electron charge. Because of this charge enhancement effect, the shot noise is increased by the factor m.
Utility and safety of nafamostat mesilate for anticoagulation in dogs

Abstract Background Surgical interventions are recommended for cases of advanced mitral regurgitation, however, limited facilities are available. The most prominent complication in such procedures is heparin‐derived bleeding. An alternative anticoagulant to heparin, nafamostat mesilate (NM), can reduce the occurrence of complications associated with heparin such as bleeding or shock. Objectives This study aimed to evaluate the utility and safety of using NM during anaesthesia in canines. Methods Six healthy adult Beagle dogs were anaesthetised, and NM was administered intravenously as a 10 mg/kg bolus dose over 5 min, followed by a continuous infusion of 10 mg/kg/h over 20 min. Blood tests and blood pressure measurements were performed at 0, 5, 25 and 55 min after NM administration. Results Activated thromboplastin times at 0, 25 and 55 min were 13.0 ± 0.7 s, 106.7 ± 13.3 s and 28.2 ± 2.9 s, respectively, with a significant difference between 0 and 25 min (p < 0.01) only. No significant differences were observed in prothrombin time, antithrombin, fibrinogen and fibrin degradation product concentrations between timepoints. Activated clotting times (ACTs) at 0, 5, 25 and 55 min were 119.5 ± 9.6 s, 826.7 ± 78.6 s, 924.8 ± 42.4 s and 165.2 ± 13.5 s, respectively. Significant differences were observed between 0 and 5 min (p < 0.05) and between 0 and 25 min (p < 0.05). Blood pressure changes occurred in four dogs (66.7%). No other serious adverse effects were observed. Conclusions ACT results indicated that NM use in anaesthetised healthy dogs was sufficient to obtain procedural anticoagulation with minimal adverse effects. However, these preliminary data require validation in further studies on cardiopulmonary bypass surgery.
Selfie behavior and cosmetic surgery consideration in adolescents: the mediating roles of physical appearance comparisons and facial appearance concern

ABSTRACT Selfie activity may contribute to the acceptance of cosmetic surgery in adolescents, although few empirical studies exist. Based on social comparison theory, this study examined the association between selfie behavior and cosmetic surgery consideration among Chinese adolescents and further tested the possible mediating roles of social comparison and facial appearance concern in this relationship. A sample of 537 adolescents (339 girls and 198 boys) were recruited voluntarily to complete questionnaires on selfie behavior, upward physical appearance comparison, facial appearance concern and cosmetic surgery consideration. Linear regression and mediation analyses were conducted. The results showed that selfie behavior predicted higher level of adolescents’ cosmetic surgery consideration. Moreover, this relationship was sequentially mediated through upward physical appearance comparison and facial appearance concern. These findings expand the existent literature by suggesting that selfie behavior may trigger upward social comparison in adolescents, which in turn increase their acceptance of cosmetic surgery.
Entanglement observables and witnesses for interacting quantum spin systems

We discuss the detection of entanglement in interacting quantum spin systems. First, thermodynamic Hamiltonian-based witnesses are computed for a general class of one-dimensional spin-1/2 models. Second, we introduce optimal bipartite entanglement observables. We show that a bipartite entanglement measure can generally be associated with a set of independent two-body spin observables whose expectation values can be used to witness entanglement. The number of necessary observables is ruled by the symmetries of the model. Illustrative examples are presented.
Which patients benefit from adding short-term psychodynamic psychotherapy to antidepressants in the treatment of depression? A systematic review and meta-analysis of individual participant data

Abstract Background Adding short-term psychodynamic psychotherapy (STPP) to antidepressants increases treatment efficacy, but it is unclear which patients benefit specifically. This study examined efficacy moderators of combined treatment (STPP + antidepressants) v. antidepressants for adults with depression. Methods For this systematic review and meta-analysis (PROSPERO registration number: CRD42017056029), we searched PubMed, PsycINFO, Embase.com, and the Cochrane Library from inception to 1 January 2022. We included randomized clinical trials comparing combined treatment (antidepressants + individual outpatient STPP) v. antidepressants in the acute-phase treatment of depression in adults. Individual participant data were requested and analyzed combinedly using mixed-effects models (adding Cochrane risk of bias items as covariates) and an exploratory machine learning technique. The primary outcome was post-treatment depression symptom level. Results Data were obtained for all seven trials identified (100%, n = 482, combined: n = 238, antidepressants: n = 244). Adding STPP to antidepressants was more efficacious for patients with high rather than low baseline depression levels [B = −0.49, 95% confidence interval (CI) −0.61 to −0.37, p < 0.0001] and for patients with a depressive episode duration of >2 years rather than <1 year (B = −0.68, 95% CI −1.31 to −0.05, p = 0.03) and than 1–2 years (B = −0.86, 95% CI −1.66 to −0.06, p = 0.04). Heterogeneity was low. Effects were replicated in analyses controlling for risk of bias. Conclusions To our knowledge, this is the first study that examines moderators across trials assessing the addition of STPP to antidepressants. These findings need validation but suggest that depression severity and episode duration are factors to consider when adding STPP to antidepressants and might contribute to personalizing treatment selection for depression.
Dynamical Generation of Four-Dimensional Space-Time in the IIB Matrix Model

We study the spontaneous breakdown of SO(10) symmetry in the IIB matrix model, a conjectured nonperturbative definition of type IIB superstring theory in ten dimensions. Our analysis is based on a gaussian expansion technique, which was originally proposed by Kabat-Lifschytz and applied successfully to the strong coupling dynamics of the Matrix Theory. We propose a prescription for including higher order corrections, which yields a rapid convergence in a simple example. This prescription is then applied to the IIB matrix model up to the third order. We find that the `self-consistency equations' allow various symmetry breaking solutions. Among them, the solution preserving SO(4) symmetry is found to have the smallest free energy. The value of the free energy comes closer to the analytic formula obtained by Krauth-Nicolai-Staudacher as we increase the order. The extent of the space-time in the 4 directions is larger than the remaining 6 directions, and the ratio increases with the order. These results provide the first analytical evidence that four-dimensional space-time is generated dynamically in the IIB matrix model.
Enhancing Intra-class Information Extraction for Heterophilous Graphs: One Neural Architecture Search Approach

In recent years, Graph Neural Networks (GNNs) have been popular in graph representation learning which assumes the homophily property, i.e., the connected nodes have the same label or have similar features. However, they may fail to generalize into the heterophilous graphs which in the low/medium level of homophily. Existing methods tend to address this problem by enhancing the intra-class information extraction, i.e., either by designing better GNNs to improve the model effectiveness, or re-designing the graph structures to incorporate more potential intra-class nodes from distant hops. Despite the success, we observe two aspects that can be further improved: (a) enhancing the ego feature information extraction from node itself which is more reliable in extracting the intra-class information; (b) designing node-wise GNNs can better adapt to the nodes with different homophily ratios. In this paper, we propose a novel method IIE-GNN (Intra-class Information Enhanced Graph Neural Networks) to achieve two improvements. A unified framework is proposed based on the literature, in which the intra-class information from the node itself and neighbors can be extracted based on seven carefully designed blocks. With the help of neural architecture search (NAS), we propose a novel search space based on the framework, and then provide an architecture predictor to design GNNs for each node. We further conduct experiments to show that IIE-GNN can improve the model performance by designing node-wise GNNs to enhance intra-class information extraction.
Entanglement in bosonic systems

We present a technique to resolve a Gaussian density matrix and its time evolution through known expectation values in position and momentum. Further we find the full spectrum of this density matrix and apply the technique to a chain of harmonic oscillators to find agreement with conformal field theory in this domain. We also observe that a nonconformal state has a divergent entanglement entropy.
ACIC: Admission-Controlled Instruction Cache

The front end bottleneck in datacenter workloads has come under increased scrutiny, with the growing code footprint, involvement of numerous libraries and OS services, and the unpredictability in the instruction stream. Our examination of these workloads points to burstiness in accesses to instruction blocks, which has also been observed in data accesses [61]. Such burstiness is largely due to spatial and short-duration temporal localities, that LRU fails to recognize and optimize for, when a single cache caters to both forms of locality. Instead, we incorporate a small i-Filter as in previous works [29], [49] to separate spatial from temporal accesses. However, a simple separation does not suffice, and we additionally need to predict whether the block will continue to have temporal locality, after the burst of spatial locality. This combination of i-Filter and temporal locality predictor constitutes our Admission-Controlled Instruction Cache (ACIC). ACIC outperforms a number of state-of-the-art pollution reduction techniques (replacement algorithms, bypassing mechanisms, victim caches), providing 1.0223 speedup on the average over a baseline LRU based conventional i-cache (bridging over half of the gap between LRU and OPT) across several datacenter workloads.
PIM-tree: A Skew-resistant Index for Processing-in-Memory

The performance of today's in-memory indexes is bottlenecked by the memory latency/bandwidth wall. Processing-in-memory (PIM) is an emerging approach that potentially mitigates this bottleneck, by enabling low-latency memory access whose aggregate memory bandwidth scales with the number of PIM nodes. There is an inherent tension, however, between minimizing inter-node communication and achieving load balance in PIM systems, in the presence of workload skew. This paper presents PIM-tree , an ordered index for PIM systems that achieves both low communication and high load balance, regardless of the degree of skew in data and queries. Our skew-resistant index is based on a novel division of labor between the host CPU and PIM nodes, which leverages the strengths of each. We introduce push-pull search , which dynamically decides whether to push queries to a PIM-tree node or pull the node's keys back to the CPU based on workload skew. Combined with other PIM-friendly optimizations ( shadow subtrees and chunked skip lists ), our PIM-tree provides high-throughput, (guaranteed) low communication, and (guaranteed) high load balance, for batches of point queries, updates, and range scans. We implement PIM-tree, in addition to prior proposed PIM indexes, on the latest PIM system from UPMEM, with 32 CPU cores and 2048 PIM nodes. On workloads with 500 million keys and batches of 1 million queries, the throughput using PIM-trees is up to 69.7X and 59.1x higher than the two best prior PIM-based methods. As far as we know these are the first implementations of an ordered index on a real PIM system.
A universal and improved mutation strategy for iterative wavefront shaping

Recent advances in iterative wavefront shaping (WFS) techniques have made it possible to manipulate the light focusing and transport in scattering media. To improve the optimization performance, various optimization algorithms and improved strategies have been utilized. Here, a novel guided mutation (GM) strategy is proposed to improve optimization efficiency for iterative WFS. For both phase modulation and binary amplitude modulation, considerable improvements in optimization effect and rate have been obtained using multiple GM-enhanced algorithms. Due of its improvements and universality, GM is beneficial for applications ranging from controlling the transmission of light through disordered media to optical manipulation behind them.