Miracle-dz/UniFAR-FTUs huggingface dataset:
SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES FOR l-C3H+ AND ISOTOPOLOGUES FROM HIGHLY ACCURATE QUARTIC FORCE FIELDS: THE DETECTION OF l-C3H+ IN THE HORSEHEAD NEBULA PDR QUESTIONED

Very recently, molecular rotational transitions observed in the photon-dominated region of the Horsehead nebula have been attributed to l-C3H+. In an effort to corroborate this finding, we employed state-of-the-art and proven high-accuracy quantum chemical techniques to compute spectroscopic constants for this cation and its isotopologues. Even though the B rotational constant from the fit of the observed spectrum and our computations agree to within 20 MHz, a typical level of accuracy, the D rotational constant differs by more than 40%, while the H rotational constant differs by three orders of magnitude. With the likely errors in the rotational transition energies resulting from this difference in D on the order of 1 MHz for the lowest observed transition (J = 4 → 3) and growing as J increases, the assignment of the observed rotational lines from the Horsehead nebula to l-C3H+ is questionable.
Mononuclear Oxidovanadium(IV) Complexes with BIAN Ligands: Synthesis and Catalytic Activity in the Oxidation of Hydrocarbons and Alcohols with Peroxides

Reactions of VCl3 with 1,2-Bis[(4-methylphenyl)imino]acenaphthene (4-Me-C6H4-bian) or 1,2-Bis[(2-methylphenyl)imino]acenaphthene (2-Me-C6H4-bian) in air lead to the formation of [VOCl2(R-bian)(H2O)] (R = 4-Me-C6H4 (1), 2-Me-C6H4 (2)). Thes complexes were characterized by IR and EPR spectroscopy as well as elemental analysis. Complexes 1 and 2 have high catalytic activity in the oxidation of hydrocarbons with hydrogen peroxide and alcohols with tert-butyl hydroperoxide in acetonitrile at 50 °С. The product yields are up to 40% for cyclohexane. Of particular importance is the addition of 2-pyrazinecarboxylic acid (PCA) as a co-catalyst. Oxidation proceeds mainly with the participation of free hydroxyl radicals, as evidenced by taking into account the regio- and bond-selectivity in the oxidation of n-heptane and methylcyclohexane, as well as the dependence of the reaction rate on the initial concentration of cyclohexane.
MINAPOLITAN AREA DEVELOPMENT STRATEGY IN OGAN KOMERING ULU REGENCY

This study aims to identify the internal and external factors involved in the development of the minapolitan area, as well as to analyze the development strategy of the minapolitan area in Ogan Komering Ulu Regency. This research was conducted using the SWOT analysis method (Strengths, Weaknesses, Opportunities, Threats). The results of this study indicate that the internal factors in this study are the availability of abundant water, the existence of the Raksa Jiwa fish seed center (BBI), the availability of labor, and the availability of own land. While the internal factors that become weaknesses are not being able to make their own feed, low community motivation, lack of capital support, low skills of fish farmers, lack of socialization from the government. External factors that become opportunities are government regulations regarding the determination of the minapolitan area of ​​OKU Regency and the potential for higher demand for fish. Meanwhile, external factors that pose a threat are the high price of feed, and the presence of competitors from other regions. The results of the SWOT analysis show that alternative strategies that can be implemented include maximizing the potential of the available resources, optimizing the role of the Raksa Jiwa Fish Seed Center (BBI), optimizing the planning for the use of natural resources by compiling a master plan for the minapolitan area.
Oxygen incorporation in Ti2AlC: Tuning of anisotropic conductivity

0,0,0, 0.5,0.5,0.5, and 0,0,0, 0.5,0.5,0, 0,0,0.5, 0.5,0.5,0.5 were chosen for further analysis, however, test calculations on other configurations showed no significantly different results. The five elastic constants characterizing a hexagonal material were calculated using the stress method 12 based on approximations proposed by Fast et al. 13 These constants, in turn, were used to calculate the bulk-, shearand Young’s modulus B, G, and E, respectively, for further details, see Ref. 12. Analysis of electronic properties was performed through calculations of band structure, partialand total density of states DOS, and band character. Charge density was evaluated using Bader analysis. 14
A 576 m long creep and shrinkage specimen – Long‐term deformation of a semi‐integral concrete bridge with a massive solid cross‐section

For creep and shrinkage investigations, relatively small cylindrical specimens are generally exposed to constant climatic conditions. The derived mainly empirical prediction models are used for the calculation of large engineering structures with massive cross‐sections. In this paper, the expected values of the material models according to fib Model Code 2010 and Eurocode 2 are compared with monitoring data, which were acquired over a period of more than 12 years during a structural health monitoring of a large viaduct. It was found that in addition to the measured continuous increase in the viscous deformations, seasonal fluctuations due to climatic influences could also be detected. The numerical calculations show that the material models differ significantly in their magnitude and time course of the predicted viscous concrete deformations. In comparison with the monitoring data, a good agreement was achieved when using the material models according to Eurocode 2. The models of the fib Model Code 2010, on the other hand, underestimated the deformations of the massive bridge girder.
A Linear-complexity Layer-coupling Algorithm for 1D- and 2D-periodic Scattering in Multilayered Media

|The formulation of a matrix-vector product with linear complexity for layer-coupling is discussed in the context of scattering by periodic dielectric scatterers embedded in a layered medium and formulated as a spectral-domain volume integral. It is shown how a traditional formulation in terms of re(cid:13)ection and transmission coeﬃcients can be modi(cid:12)ed to arrive at an algorithm of linear complexity if being used as a matrix-vector product. The computational performance scheme is demonstrated for stacks in which scattering objects are distributed over hundreds of layers.
Wind Speed Measurement by an Inexpensive and Lightweight Thermal Anemometer on a Small UAV

Profiling wind information when using a small unmanned aerial vehicle (sUAV) is vital for atmospheric profiling and monitoring attitude during flight. Wind speed on an sUAV can be measured directly using ultrasonic anemometers or by calculating its attitude control information. The former method requires a relatively large payload for an onboard ultrasonic anemometer, while the latter requires real-time flight log data access, which depends on the UAV manufacturers. This study proposes the feasibility of a small thermal anemometer to measure wind speeds inexpensively using a small commercial quadcopter (DJI Mavic2: M2). A laboratory experiment demonstrated that the horizontal wind speed bias increased linearly with ascending sUAV speed. A smoke experiment during hovering revealed the downward wind bias (1.2 m s−1) at a 12-cm height above the M2 body. Field experiments in the ice-covered ocean demonstrated that the corrected wind speed agreed closely with the shipboard wind data observed by a calibrated ultrasonic anemometer. A dual-mount system comprising thermal anemometers was proposed to measure wind speed and direction.
Durable Responses to Anti-PD1 and Anti-CTLA4 in a Preclinical Model of Melanoma Displaying Key Immunotherapy Response Biomarkers

Simple Summary Immunotherapy has improved the outcomes of patients with advanced melanoma, although many patients will progress while on treatment. Preclinical animal models provide valuable insights into immunotherapy response or resistance and can be used to test novel treatment combinations. The development of animal cancer models rarely involves the systematic analysis and inclusion of predictive biomarkers of immunotherapy response. This study describes a biomarker-driven workflow to generate a transplantable mouse melanoma model responsive to anti-PD1 and anti-CTLA4 immunotherapy. This model recapitulates human immunotherapy-responding tumor phenotypes and provides unique insights into the discrete mechanisms underlying the durability of response to immune checkpoint inhibitors. Abstract Immunotherapy has transformed the management of patients with advanced melanoma, with five-year overall survival rates reaching 52% for combination immunotherapies blocking the cytotoxic T-lymphocyte-associated antigen-4 (CTLA4) and programmed cell death-1 (PD1) immune axes. Yet, our understanding of local and systemic determinants of immunotherapy response and resistance is restrained by the paucity of preclinical models, particularly those for anti-PD1 monotherapy. We have therefore generated a novel murine model of melanoma by integrating key immunotherapy response biomarkers into the model development workflow. The resulting YUMM3.3UVRc34 (BrafV600E; Cdkn2a–/–) model demonstrated high mutation burden and response to interferon (IFN)γ, including induced expression of antigen-presenting molecule MHC-I and the principal PD1 ligand PD-L1, consistent with phenotypes of human melanoma biopsies from patients subsequently responding to anti-PD1 monotherapy. Syngeneic immunosufficient mice bearing YUMM3.3UVRc34 tumors demonstrated durable responses to anti-PD1, anti-CTLA4, or combined treatment. Immunotherapy responses were associated with early on-treatment changes in the tumor microenvironment and circulating T-cell subsets, and systemic immunological memory underlying protection from tumor recurrence. Local and systemic immunological landscapes associated with immunotherapy response in the YUMM3.3UVRc34 melanoma model recapitulate immunotherapy responses observed in melanoma patients and identify discrete immunological mechanisms underlying the durability of responses to anti-PD1 and anti-CTLA4 treatments.
Recent Development of Heavy Atom-Free Triplet Photosensitizers for Photodynamic Therapy

Photodynamic therapy (PDT) is an attractive method for cancer treatment. Triplet photosensitizers (PSs) are critical for this method; upon photoexcitation, efficient intersystem crossing (ISC) occurs for triplet PSs, the triplet-excited state of the triplet PSs is populated, then via intermolecular triplet energy transfer, the O2, in triplet-spin multiplicity at ground state, is sensitized to the singlet-excited state, i.e., singlet oxygen (1O2) is produced. This strong reactive oxygen species (ROS) will oxidize the biomolecules in the tumor tissue. Thus, the design of novel triplet PSs as efficient PDT agents is vital. In this review article, we will introduce the recent development of the heavy atom-free triplet PSs used for PDT, including those based on spin-orbit charge transfer ISC (SOCT-ISC), twisting of the π-conjugation framework-induced ISC, radical enhanced ISC, and thionated carbonyl-induced ISC. The ISC mechanisms and molecular structure design rationales are discussed. The less studied electron spin selectivity of the ISC of the triplet PSs is also introduced. This information is helpful for the future design of new efficient triplet PSs for PDT.
Critical Design Factors for Electrochemical Aptasensors Based on Target-Induced Conformational Changes: The Case of Small-Molecule Targets

Nucleic-acid aptamers consisting in single-stranded DNA oligonucleotides emerged as very promising biorecognition elements for electrochemical biosensors applied in various fields such as medicine, environmental, and food safety. Despite their outstanding features, such as high-binding affinity for a broad range of targets, high stability, low cost and ease of modification, numerous challenges had to be overcome from the aptamer selection process on the design of functioning biosensing devices. Moreover, in the case of small molecules such as metabolites, toxins, drugs, etc., obtaining efficient binding aptamer sequences proved a challenging task given their small molecular surface and limited interactions between their functional groups and aptamer sequences. Thus, establishing consistent evaluation standards for aptamer affinity is crucial for the success of these aptamers in biosensing applications. In this context, this article will give an overview on the thermodynamic and structural aspects of the aptamer-target interaction, its specificity and selectivity, and will also highlight the current methods employed for determining the aptamer-binding affinity and the structural characterization of the aptamer-target complex. The critical aspects regarding the generation of aptamer-modified electrodes suitable for electrochemical sensing, such as appropriate bioreceptor immobilization strategy and experimental conditions which facilitate a convenient anchoring and stability of the aptamer, are also discussed. The review also summarizes some effective small molecule aptasensing platforms from the recent literature.
TYPE Ia SUPERNOVA DISTANCE MODULUS BIAS AND DISPERSION FROM K-CORRECTION ERRORS: A DIRECT MEASUREMENT USING LIGHT CURVE FITS TO OBSERVED SPECTRAL TIME SERIES

We estimate systematic errors due to K-corrections in standard photometric analyses of high-redshift Type Ia supernovae. Errors due to K-correction occur when the spectral template model underlying the light curve fitter poorly represents the actual supernova spectral energy distribution, meaning that the distance modulus cannot be recovered accurately. In order to quantify this effect, synthetic photometry is performed on artificially redshifted spectrophotometric data from 119 low-redshift supernovae from the Nearby Supernova Factory, and the resulting light curves are fit with a conventional light curve fitter. We measure the variation in the standardized magnitude that would be fit for a given supernova if located at a range of redshifts and observed with various filter sets corresponding to current and future supernova surveys. We find significant variation in the measurements of the same supernovae placed at different redshifts regardless of filters used, which causes dispersion greater than ∼0.05 mag for measurements of photometry using the Sloan-like filters and a bias that corresponds to a 0.03 shift in w when applied to an outside data set. To test the result of a shift in supernova population or environment at higher redshifts, we repeat our calculations with the addition of a reweighting of the supernovae as a function of redshift and find that this strongly affects the results and would have repercussions for cosmology. We discuss possible methods to reduce the contribution of the K-correction bias and uncertainty.
Identification of Proteins Responsible for the Neuroprotective Effect of the Secretome Derived from Blood Cells of Remote Ischaemic Conditioned Rats

We have recently shown that the blood cell-derived secretome of remote ischaemic (RIC)-conditioned individuals provides an external source of neuroprotection. In this study, we identified the bioactive compounds from the total proteins released by those cells. Our main strategy was to separate protein–protein complexes while maintaining their native structure and testing their bioactive properties. Subsequently, we identified up- and downregulated bioactive proteins. We uncovered two bioactive fractions composed of 18 proteins. Most of the protein peaks were unchanged; however, RIC mediated a decrease in two peaks (comprising seven proteins) and an increase in one peak (identified as haptoglobin). When focussing on the biological activity of these proteins, we found positive impacts on the regulation of cellular metabolic processes and an increase in biological processes related to the acute phase response and inflammation in the RIC-treated samples. Although we have identified the 18 proteins that exert the greatest cytoprotection, additional studies are needed to elucidate their particular function and detailed mechanisms of action.
Limits on the spatial variations of the electron-to-proton mass ratio in the Galactic plane

Aims. We aim to validate the Einstein equivalence principle (local position invariance) by limiting the fractional changes in the electron-to-proton mass ratio, μ = me/mp, measured in Galactic plane objects. Methods. High-resolution spectral observations of dark clouds in the inversion line of NH3(1, 1) and pure rotational lines of other molecules (the so-called ammonia method) were performed at the Medicina 32-m and the Effelsberg 100-m radio telescopes to measure the radial velocity offsets, ΔRV = Vrot−Vinv, between the rotational and inversion transitions, which have different sensitivities to the value of μ. Results. In our previous observations (2008–2010), a mean offset of � ΔRV� = 0.027 ± 0.010 km s −1 (3σ confidence level (C.L.)) was measured. To test for possible hidden errors, we carried out additional observations of a sample of molecular cores in 2010–2013. As a result, a systematic error with an amplitude ∼0.02 km s −1 in the radial velocities was revealed. The averaged offset between the radial velocities of the rotational transitions of HC3N(2–1), HC5N(9–8), HC7N(16–15), HC7N(21–20), and HC7N(23–22), and the inversion transition of NH3(1, 1) is � ΔRV� = 0.003 ± 0.018 km s −1 (3σ C.L.). This value, when interpreted in terms of Δμ/μ = (μobs − μlab)/μlab, constraints the μ-variation at the level of Δμ/μ < 2 × 10 −8 (3σ C.L.), which is the most stringent limit on the fractional changes in μ
Understanding Quality of Pinot Noir Wine: Can Modelling and Machine Learning Pave the Way?

Wine research has as its core components the disciplines of sensory analysis, viticulture, and oenology. Wine quality is an important concept for each of these disciplines, as well as for both wine producers and consumers. Any technique that could help producers to understand the nature of wine quality and how consumers perceive it, will help them to design even more effective marketing strategies. However, predicting a wine’s quality presents wine science modelling with a real challenge. We used sample data from Pinot noir wines from different regions of New Zealand to develop a mathematical model that can predict wine quality, and applied dimensional analysis with the Buckingham Pi theorem to determine the mathematical relationship among different chemical and physiochemical compounds. This mathematical model used perceived wine quality indices investigated by wine experts and industry professionals. Afterwards, machine learning algorithms are applied to validate the relevant sensory and chemical concepts. Judgments of wine intrinsic attributes, including overall quality, were made by wine professionals to two sets of 18 Pinot noir wines from New Zealand. This study develops a conceptual and mathematical framework to predict wine quality, and then validated these using a large dataset with machine learning approaches. It is worth noting that the predicted wine quality indices are in good agreement with the wine experts’ perceived quality ratings.
Spatially periodic and aperiodic multi-pulse patterns in the one-dimensional Gierer-Meinhardt equation

The generalized Gierer-Meinhardt equation is a paradigm model of two coupled reaction-diffusion equations in the theory of biological pattern formation. The existence of time independent, spatially periodic patterns of this equation in one space dimension is governed by a four-dimensional singularly perturbed ordinary differential equation (ODE). In this paper, we analyze this ODE and use geometric singular perturbation theory to construct countably many different oneparameter families of periodic solutions. These periodic orbits consist of fast segments interspersed with slow segments, such that during the fast segments the concentration of one species exhibits finite sequences of large amplitude pulses that occur in rapid succession and that are of one of two fundamental types while the concentration of the other species is constant. Moreover, during the slow segments, the first species is near equilibrium while the concentration of the second decreases slowly. Most significantly, these fast-slow periodic orbits are shown to exist for all periodic sequences of pulses with two reflection symmetries. Hence, the Gierer-Meinhardt model possesses a rich set of stationary, spatially periodic, multi-pulse patterns. We also treat the case of bounded intervals with Neumann boundary conditions. We show that, given any random sequence of the two pulse types, there exists a stationary, in general aperiodic, multi-pulse pattern with the pulses ordered precisely as in the random sequence on sufficiently long intervals.
SIMULATING THE COOLING FLOW OF COOL-CORE CLUSTERS

We carry out high-resolution adaptive mesh refinement simulations of a cool core cluster, resolving the flow from Mpc scales down to pc scales. We do not (yet) include any active galactic nucleus (AGN) heating, focusing instead on cooling in order to understand how gas reaches the supermassive black hole at the center of the cluster. We find that, as the gas cools, the cluster develops a very flat temperature profile, undergoing a cooling catastrophe only in the central 10–100 pc of the cluster. Outside of this region, the flow is smooth, with no local cooling instabilities, and naturally produces very little low-temperature gas (below a few keV), in agreement with observations. The gas cooling in the center of the cluster rapidly forms a thin accretion disk. The amount of cold gas produced at the very center grows rapidly until a reasonable estimate of the resulting AGN heating rate (assuming even a moderate accretion efficiency) would overwhelm cooling. We argue that this naturally produces a thermostat which links the cooling of gas out to 100 kpc with the cold gas accretion in the central 100 pc, potentially closing the loop between cooling and heating. Isotropic heat conduction does not affect the result significantly, but we show that including the potential well of the brightest cluster galaxy is necessary to obtain the correct result. Also, we found that the outcome is sensitive to resolution, requiring very high mass resolution to correctly reproduce the small transition radius.
Exploring First Stars Era with GLAST

Cosmic infrared background (CIB) includes emissions from objects inaccessible to current telescopic studies, such as the putative Population III, the first stars. Recently, strong direct evidence for significant CIB levels produced by the first stars came from CIB fluctuations discovered in deep Spitzer images. Such CIB levels should have left a unique absorption feature in the spectra of high‐z GRBs and blazars as suggested in [4]. This is observable with GLAST sources at z>2 and measuring this absorption will give important information on energetics and constituents of the first stars era.
Scope and Syntactic Licensing of QPs

I first review the past account of this fact in Homma et al. (1992), who try to capture the scope property of FQs based on the semantic property of “specificity” in the sense of Enc (1991). I then point out the problem of Homma et al.’s account of the scope property of FQs and instead capture the relevant facts by assuming that only those DPs that have a certain syntactic feature can be attracted to a functional head in the CP-layer. If the analysis along these lines is correct, then we can open up the possibility of replacing the rule of QR with a covert feature-driven syntactic movement that attracts quantified DPs (henceforth, QPs).