Miracle-dz/UniFAR-FTUs huggingface dataset:
Triapine and a more potent dimethyl derivative induce ER stress in cancer cells

Institute of Inorganic Chemistry, University of Vienna, Währinger Strasse 42, A-1090 Vienna, Austria (RT, LSF, CRK, MAJ, BKK) Research Platform “Translational Cancer Therapy Research”, University of Vienna, Währinger Strasse 42, A-1090 Vienna, Austria and Medical University of Vienna, Borschkegasse 8a, A-1090 Vienna (RT,CRK, PH, UJ, MAJ, WB, BKK) Institute of Cancer Research, Medical University of Vienna, Borschkegasse 8a, A-1090 Vienna (PH, UJ, WB) Comprehensive Cancer Centre of the Medical University of Vienna, Vienna, Austria (PH, UJ, WB) VetCore Facility for Research, VetOmics, University of Veterinary Medicine, Veterinärplatz 1, A-1210 Vienna, Austria (GEM, RS) Department of Inorganic and Analytical Chemistry, University of Szeged, Dóm tér 7, H-6720 Szeged, Hungary (EAE) Hungarian Academy of Science-USZ Bioinorganic Chemistry Research Group, Dóm tér 7, H-6720 Szeged, Hungary (EAE) Molecular Pharmacology Fast Forward. Published on December 30, 2013 as doi:10.1124/mol.113. 090605
Raman Apparatus Using Laser Excitation and Polarization Measurements. Rotational Spectrum of Fluorine

Various schemes are compared for measuring depolarization factors in Raman spectra with laser excitation. Optical systems are discussed for producing a laser beam free of unwanted emission lines and for focusing scattered light on the slit and on the detector. The rotational spectrum of gaseous F2 has been used to determine a rotational constant of Bo=0.8841 ±0.0006 cm−1, corresponding to r0=1.4168±0.0005 Å.
The crystal structure of dissakisite-(La) and structural variations after annealing of radiation damage

Abstract The crystal chemistry of the new mineral dissakisite-(La), the Mg-analogue of allanite-(La) with ideal formula CaLaAl2MgSi3O12(OH), was studied by single-crystal X-ray diffraction and Mössbauer spectroscopy. Diffraction data indicated that it has a partially metamict state with expanded cell parameters a = 8.959, b = 5.7226, and c = 10.232 Å, β = 115.19°, and V = 474.7 Å3. The crystal structure was refined to R(I/σ(I) > 4) of 3.45% and wR2 of 8.52% (S.G. P21/m). The displacement parameters are unusually large as consistent with positional disorder. Ca and REE are partitioned between the A1 and the A2 sites, Fe2+ between the M3 and the A1 sites, and Fe3+ between the M3 and the M2 sites. This confined to A1. The Mössbauer spectrum implies the presence of five different iron sites, three of which are attributed to Fe2+ at the M3 site, one to Fe2+ at the A1 site, and one to Fe3+ at a rather distorted octahedral site. Annealing at 700 °C caused contraction of cell edges (b and c shrank by 0.5%, a by 0.3%, β only slightly decreased; ~1% in V) and of bond distances, with a consequent overall increase in bond valences. Displacement parameters decreased by about 30%, leading to a significant increase from 1495 to 1627 in the number of reflections with I/σ(I) > 4. Structure rearrangement was achieved by means of flexible points such as the two-coordinated oxygen atoms O8 and O9, and by greater volume decreases in M3, A1, A2, and Si3 polyhedra. Si tetrahedra behaved non-rigidly, at variance with what was observed for isomorphous substitution and thermal expansion. Despite the high Th content and the age of the mineral, the crystal structure is well preserved. The above paradox could be explained by a thermal event after formation of the mineral that reversed previous damage, or by a prolonged period under relatively high-temperature conditions.
Short‐Term Recovery of Ammonium‐15Nitrogen Applied to a Temperate Forest Inceptisol and Ultisol in East Tennessee, USA

Abstract The short‐term fate and retention of ammonium (NH4)‐15nitrogen (N) applied to two types of forest soils in east Tennessee was investigated. Four ridgetop forests, predominantly oak (Quercus spp.), were studied. Five applications of NH4‐15N tracer were made to the forest floor at 2‐ to 4‐week intervals over a 14‐week period in 2004. Nitrogen‐15 recovery in the forest floor, fine roots (<2 mm), and the mineral soil (0–20 cm) was calculated at 6, 21, and 42 weeks after the last application. Most of the 15N was retained in the forest floor and the mineral soil, with only small amounts (≤2%) found in roots from both soil layers. Recovery of NH4‐15N was greater in Inceptisols, which had a wider carbon (C)‐to‐N ratio than Ultisols. For both soil types, higher NH4‐15N recoveries and long retention times (half‐lives>100 weeks) indicated the forest floor is an effective filter for atmospheric N inputs.
Different techniques for characterizing single-walled carbon nanotube purity

Transition-metal catalysts, fullerenes, graphitic carbon, amorphous carbon, and graphite flakes are the main impurities in carbon nanotubes. In this study, we demonstrate an easy and optimum method of cleaning SWCNTs and evaluating their purity. The purification method, which employed oxidative heat treatment followed by 6M HNO3, H2SO4, HNO3:H2SO4 and HCl acid reflux for 6h at 120°C and microwave digestion with 1.5M HNO3 for 0.5h at 210°C which was straightforward, inexpensive, and fairly effective. The purified materials were characterized by thermogravimetric analysis and nuclear techniques such as INAA, XRF and XRD.
The effect of multiple swelling treatment with ethylenediamine on cotton cellulose

Cotton cellulose was subjected to repeated swelling treatment with aqueous solutions of ethylenediamine (EDA). Although EDA is capable of effecting a lattice change from cellulose I to cellulose II during successive swelling treatments, resistance to lattice transformation is offered during the first treatment in spite of the formation of cellulose–EDA complex. This is attributed to a structural hinderance existing in the cellulose molecule itself. There is considerable improvement in the lateral order of the treated cellulose on subjecting it to repeated swelling operations with EDA.
Understanding the Role of User Interface for Multi-Criteria Decision-Making in Supporting Exploratory Usage of Information Systems

Multi-Criteria Decision-Making (MCDM) is one of the essential tasks people encounter in their everyday use of information systems. In MCDM, people weigh the relative importance of multiple decision criteria to assess decision candidates. Such an MCDM task is ubiquitous yet can be cognitively taxing without the explicit support of user interfaces (UIs). However, there has been a lack of approaches aiming at systemically understanding how the design of UIs can affect users’ attitudes and behavior in performing their exploratory use of information systems under MCDM scenarios. To better understand the role of UIs in MCDM, we determine two factors in characterizing UI for MCDM; (1) the internal representation, the way that UI frames end-users in determining preferences of decision criteria (i.e., individual, proportional, and pairwise quantifies), and (2) the external representation, the way that UI externalizes user preferences while the users interact with systems (1D and 2D layouts). We conducted two studies to understand how different design choices affect users’ MCDM processes. We found 2D layout improves a set of attitudinal aspects in MCDM scenarios while using different quantifiers introduces a set of trade-offs.
Measurement and modeling of damping for time-domain structural acoustics simulations

HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d’enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. Measurement and modeling of damping for time-domain structural acoustics simulations Benjamin Cotté, Augustin Parret-Fréaud, Antoine Chaigne
Structure and energetics of He2* bubble-states in superfluid 4He

Structure and energetics of solvation of the triplet Rydberg states of the He2* excimer in liquid 4He (LHe) are analyzed using ab initio potentials and density functional methods. The results are used to interpret the known spectroscopy. Having established the reliability of the various semiempirical functionals, interfacial properties of the superfluid on molecular scales are discussed. Due to its spherical electron density, the a(3Σu) state solvates in a spherical bubble of 7 A radius in which the excimer freely rotates. This explains the observed rotationally resolved 3b←3a and 3c←3a absorption spectra. A deep potential minimum occurs at the equatorial node of the c(3Σu) state, where a radially frozen belt of six He atoms can be sustained at R=2.3 A, inside an ellipsoidal cavity with major axis of 8 A and a more diffuse minor axis of 6 A. Despite the absence of a potential energy barrier, or a many-body interfacial tension preventing the wetting of the belt, the bare 3c state is observed in emission. I.
Quest for an Appropriate Electrolyte for High-Performance Light-Emitting Electrochemical Cells

The electrolyte plays a critical role in the operation of light-emitting electrochemical cells (LECs), and the LEC operational stability and efficiency can be severely limited by electrolyte-induced side reactions. Here we employ a trimethylolpropane-LiCF3SO3 electrolyte with a particularly wide electrochemical stability window and for-the-purpose appropriate transport properties to minimize cathodic side reactions and to keep the emission zone free from electrolyte species during steady-state operation. We utilize an optimized blend of this electrolyte and the conjugated polymer superyellow as the active material sandwiched between air-stable electrodes, and we demonstrate that such LEC devices can exhibit a notably respectable operational lifetime (57 days of uninterrupted operation at a brightness of >100 cd/m2) and a high efficiency (>10 lm/W at >100 cd/m2).
Flow of dilute polymer solutions: chain conformations and degradation of drag reducers

A model of flowing solutions that takes into account the structure, orientation, and mechanism of action of drag reducers is analyzed. A theoretical analysis of conformational states is provided. Computer calculations for model chains show the effects of varying solvent quality, polymer concentration, and free volume in the system. The results of the computer work provide clear criteria for choosing drag reducers with high efficacy λ. The model is represented by equations in terms of the parameters that determine drag reduction. Calculations performed for a variety of DR agents in aqueous solutions show that the predicted λ(t) values agree with the measured ones
Optimization of the energy constant of the methionine Sδ—C∊ bond for X-PLOR refinement of protein structure

The bond energy constant of methionine Sδ—C∊, 170.066 kcal mol−1 A−2, is given as a default value in X-ray protein structure refinement with X-PLOR [Brunger (1992). X-PLOR Version 3.1. A system for X-ray Crystallography and NMR. New York University Press]. When the atomic parameters of 3564 amino acid residues of bovine heart cytochrome c oxidase were refined at 2.0 A resolution by using X-PLOR with default restraining parameters, 36 bond lengths deviated by over 0.06 A from their ideal values. Out of the 36 bonds, 25 were methionine Sδ—C∊ bonds. Refinement with an energy parameter of 500.0 kcal mol−1 A−2 for the methionine Sδ—C∊ bond resulted in convergence of the Sδ—C∊ bond lengths to within 0.06 A from their ideal values and reduced the crystallographic R and free-R factors by 0.6 and 0.3%, respectively. Consequently, a strong bond energy constant for Sδ—C∊ of 500.0 kcal mol−1 A−2 is recommended instead of the default value of 170.066 kcal mol−1 A−2.
Chemical Mechanism and Tunability of Surface-Enhanced Raman Scattering of Pyridine on Heteronuclear Coinage Metal Diatomic Clusters: A Density Functional Study

As surface-enhanced Raman scattering (SERS) substrates, coinage bimetallic clusters offer high SERS enhancement and potential for applications in precision molecule detection. Here, we elucidate the chemical mechanism and reveal the tunability of the SERS of a pyridine molecule (Py) on coinage bimetallic substrate by investigating various possible heteronuclear coinage metal diatomic clusters (HCMDCs) interacting with the pyridine molecule. We obtain the Raman spectra, molecular orbital, and binding property of each HCMDC–Py system using density functional theory. We find that the Raman characteristic peaks, adsorption energy, charge transfer, geometry parameters, and molecular orbital distribution are all closely related to the compositions and binding sites of the HCMDC. The results show that the synergistic effect of different coinage metal atoms in the HCMDC plays an important role in SERS enhancement, which varies with the component and adsorption site of the HCMDC, thus providing the possibility of .
Research on ITO Conductive Glass Chipping Defect Detection Method based on Improved Skeleton Extraction

Aiming at the detection difficulties caused by edge bending, dirt, dust, etc. in the detection of chipping defects of ITO conductive glass based on machine vision, a chipping defect detection method based on improved skeleton extraction is proposed. First, pretreatment is performed prior to skeleton extraction, to remove the pseudo-skeleton caused by the influence of dirt, dust, and other noise. Secondly, according to the characteristics of chipping imaging, remove some algorithm links to improve algorithm execution efficiency; Finally, short straight line segmentation is unfolded after skeleton extraction, Based on the judgment of the number of short straight lines, the detection of chipping defects is realized. Experiments show that the improved algorithm has high efficiency and accuracy for the chipping detection of ITO conductive glass, and has high practical value.
Bioremediation 2,4,6,-Trichlorophenol (2,4,6-TCP) by Shigella sp. S2 Isolated from Industrial Dumpsite

ABSTRACT A bacterium that utilizes 2,4,6-trichlorophenol (2,4,6-TCP) as a sole source of carbon and energy was isolated from an industrial dumpsite, the bacterium designated as strain S2. Degradation was routinely monitored by observing growth analysis, chloride release assay, and ring cleavage activity and was further confirmed by gas chromatography (GC) analysis. The bacterium was found to degrade up to 90% of 2,4,6-TCP at 1.5 mM concentration. The bacteria were characterized morphologically, biochemically, and by 16S rRNA gene sequencing, which showed 99% sequence similarity with Shigella sp. This is the first report that Shigella sp. was able to degrade 2,4,6-TCP. This strain was found to be novel and a potential 2,4,6-TCP degrader. Further, this strain may be used for bioremediation of 2,4,6-TCP–containing waste in the environment.
Magnetization-step studies of antiferromagnetic clusters and single ions: Exchange, anisotropy, and statistics

A magnetic cluster is a group of magnetic ions (“spins”) that interact with each other but which, to a good approximation, do not interact with other magnetic ions. Such clusters are responsible for many of the interesting and useful properties of a large number of molecular crystals, and of dilute magnetic materials below the percolation concentration. In a molecular crystal the magnetic clusters are usually all of one type. In a dilute magnetic material, on the other hand, many cluster types are present. The magnetization-step (MST) method is a relatively new form of spectroscopy for measuring intracluster magnetic interactions, mainly exchange constants and anisotropy parameters. In dilute magnetic materials this method also yields the relative populations of different cluster types. This review focuses on the principles and applications of the MST method to relatively small clusters, no more than a dozen spins or so. It covers only MSTs from spin clusters in which the dominant exchange interaction is .
TRACKING LONG-DISTANCE DEPOSITION AND ASSIMILATION OF AIRBORNE SMELTER EMISSIONS IN NORTHEASTERN WASHINGTON LAKES USING LEAD ISOTOPE ANALYSIS By ANDREW WRIGHT CHILD

by Andrew Wright Child, Ph.D. Washington State University May 2017 Chair: Barry C. Moore Metal pollution from mining and smelting operations into aquatic ecosystems can cause long-term biological impacts. Several studies have addressed the biological effects of both direct discharge of mining slag and diffuse atmospheric metal deposition into freshwater environments near metallurgic facilities. The upper Columbia River valley is highly contaminated with trace metal waste from nearby smelting operations in Trail, British Columbia, Canada and Northport, Washington, USA. Previous studies have tracked depositional patterns of emissions from these smelters; however, these studies have focused on lakes within 50 km of the smelting facilities. Additionally, no studies have addressed whether these contaminants are biologically available to aquatic organisms. This work analyzed the trace metal concentrations and Pb isotope compositions of sediment cores, sediment grab samples, and zooplankton from remote eastern Washington lakes ranging from 20 to 144 km and 1 to 126 km downwind of the Trail and Le Roi smelters, respectively, to determine possible sources of atmospheric metal deposition in the upper Columbia River valley. Metal deposition and Pb isotope compositions of sediment rapidly changed in a nonlinear manner as distance from smelting operations increased. Pb isotope compositions in
Electrocoagulation-flotation: a novel proposal for Latin-American water treatment facilities

Electrocoagulation-flotation (ECF) is a technique that combines the benefits of coagulation, flotation, and electrochemistry and can be very efficient in removing contaminants present in drinking water. The objective of this study was to determine an ideal configuration for an ECF reactor for the treatment of drinking water. A fractional factorial experimental design (26–2) was performed using initial pH, electric current, electrolysis time, agitation, inter-electrode distance, and a number of electrodes as variables. Subsequently, a central composite rotatable design was conducted using the most significant variables of the fractional design, which were initial pH, electrical current, electrolysis time, and a number of electrodes. The response variables analyzed were color removal, electrode mass consumption, sludge production, and energy consumption. The ECF experiment was performed in a batch system with aluminum electrodes in a monopolar parallel configuration. The ECF technique was adequate for treating drinking water with the best treatment conditions at an initial pH of 8.5, an electrical current of 0.25 A, electrolysis time of 12.5 min, and 3 electrodes. Under these conditions, the efficiency of color removal was 86.42%, electrode mass consumption of 0.019 kg m–3, sludge production of 0.087 kg m–3, and energy consumption of 0.21 kWh m–3.
Universal Face Detection

Object Detection is a fundamental problem in Computer Vision. Face Detection is an important and intriguing type of object detection that is being extensively used in day-to-day activities like in video surveillance, online social media and robotics. Researchers have made tremendous progress in this ﬁeld by developing state-of-the-art detectors that, over the years, have increased in accuracy and speed of detection. But these detectors are only suited for some conditions. For example: detecting frontal faces, faces that are not occluded, well-lit faces etc. They also dont work for faces in images of other spectra like near-infrared. Moreover, detectors that perform well in terms of accuracy, lack in speed and vice-versa. This research project aims to assess the strengths and weaknesses of existing state-of-the-art detectors, build a detector that works for multiple unconstrained conditions like occlusion, illumination, crowd etc., and ﬁnd a suitable tradeoﬀ between accuracy and speed of detection.
Multiview-Robust 3D Adversarial Examples of Real-world Objects ∗

In this paper, we implement a method of robust 3D adversarial attacks which considers different viewpoints where the victim camera can be placed. In particular, we ﬁnd a method to create 3D adversarial examples that can achieve 100% attack success rate from all viewpoints with any inte-ger spherical coordinates. Our method is simple as we only perturb the texture space. We create 3D models with realistic textures using 3D reconstruction from multiple uncal-ibrated images. With the help of a differentiable renderer, we then apply gradient based optimization to compute texture perturbations based on a set of rendered images, i.e., training dataset. Our extensive experiments show that even only including 1% of all possible rendered images in training, we can still achieve 99.9% attack success rate with the trained texture perturbations. Furthermore, our thorough experiments show high transferability of the multiview robustness of our 3D adversarial attacks across various deep neural network models.
Data-Driven Networking: Service Forecasting in WiFi6

Given that WiFi6 has been newly released as a great enabler for today’s overloaded and dense networks. QoS forecasting has gained more importance to satisfy the basic requirements of the new demanded traffic types: such as 4K/8K video streaming or VR traffic. We have studied the WiFi6-specific QoS forecasting engine, which considers both user mobility and long/short term heterogeneous traffics, using one of the promising machine learning approaches: Graph Convolution Networks (GCNs). Our results show that the GCN-based QoS management engine reveals both spatial and temporal information of the WiFi networks to predict several QoS parameters.
Scalable Structural Index Construction for JSON Analytics

JavaScript Object Notation (JSON) and its variants have gained great popularity in recent years. Unfortunately, the performance of their analytics is often dragged down by the expensive JSON parsing. To address this, recent work has shown that building bitwise indices on JSON data, called structural indices , can greatly accelerate querying. Despite its promise, the existing structural index construction does not scale well as records become larger and more complex, due to its (inherently) sequential construction process and the involvement of costly memory copies that grow as the nesting level increases. To address the above issues, this work introduces Pison - a more memory-efficient structural index constructor with supports of intra-record parallelism. First, Pison features a redesign of the bottleneck step in the existing solution. The new design is not only simpler but more memory-efficient. More importantly, Pison is able to build structural indices for a single bulky record in parallel, enabled by a group of customized parallelization techniques. Finally, Pison is also optimized for better data locality, which is especially critical in the scenario of bulky record processing. Our evaluation using real-world JSON datasets shows that Pison achieves 9.8X speedup (on average) over the existing structural index construction solution for bulky records and 4.6X speedup (on average) of end-to-end performance (indexing plus querying) over a state-of-the-art SIMD-based JSON parser on a 16-core machine.