gebhart/patrepeval huggingface dataset:
Charge densities in CoS2 and NiS2 (pyrite structure) (1991)

The electron-density distributions in the pyrite-type structures of CoS2 and NiS2 have been determined from high-resolution single-crystal diffraction data [Ag Ka radiation; resolution and temperature (sin0/A)max = 149 /~-I at 295 K for COS2, 1.63 ~-1 at 135 K for NiS2]. The charge densities were refined using a multipolar deformation model [R(IFI) = 0.0119 and 0.0136, respectively]. The X-ray diffraction data of FeS2 [Stevens, DeLucia & Coppens (1980). lnorg. Chem. 19, 813-820; Ag Ka radiation, (sin0/a)m.x = 1.46 A-i, room temperature] were refined using the same deformation model and program in order to facilitate comparison of the results [R(IFI) = 0.0176]. The main features of the resulting deformation maps agree well for all three structures. They consist of important maxima in the immediate vicinity of the metal atoms pointing towards the faces of the coordination octahedron. The heavier the metal atom, the smaller is the distance of the maxima from the atomic centre. These features are interpreted by a preferential occupation of the metal d orbitals which correspond to the cubic t2e orbitals. An analysis of the d-orbital populations indicates that the symmetry of the electron distribution around the metal atom is in all cases very close to cubic, the site symmetry being 3; the t2g orbitals appear to be fully occupied by six electrons while the occupation of the eg orbitals increases in the series Fe, Co, Ni and indicates covalent overlap with the S ligands.
Propagation of surface acoustic waves through sharply bent two-dimensional phononic crystal waveguides using a finite-difference time-domain method (2006)

In this paper, we adopt the finite-difference time-domain (FDTD) method to analyze surface acoustic waves propagating in two-dimensional phononic waveguides. To implement the FDTD program for dealing with surface acoustic waves, the Bloch theorem and absorbing boundary conditions are employed to deal with the periodic boundary condition and reflection from a numerical boundary. A phononic crystal consisting of circular steel cylinders that form a square lattice in an epoxy matrix is considered as an example to study phononic crystal waveguides. The dispersion relation and displacement fields are calculated to identify the band gaps and eigenmodes. The result shows the existence of a complete band gap of surface waves and thus an acoustic waveguide is created accordingly. Eigenmodes of surface waves inside the waveguide are indicated and pseudo surface acoustic waves propagating inside the straight waveguide are demonstrated. Further, waveguides with a sharp bend are reported and an improved design is suggested to enhance energy transmission.
ChemInform Abstract: Synthesis and Reaction of 9‐Aryl‐1H,3H‐thieno(3,4‐b)quinolin‐1‐ones. (1993)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Multiple realizations using standard inversion techniques a (2000)

When solving a missing data problem, geophysicists and geostatisticians have very similar strategies. Each use the known data to characterize the model’s covariance. At SEP we often characterize the covariance through Prediction Error Filters (PEFs) (Claerbout, 1998). Geostatisticians build variograms from the known data to represent the model’s covariance (Issaks and Srivastava, 1989). Once each has some measure of the model covariance they attempt to fill in the missing data. Here their goals slightly diverge. The geophysicist solves a global estimation problem and attempts to create a model whose covariance is equivalent to the covariance of the known data. The geostatistician performs kriging, solving a series of local estimation problem. Each model estimate is the linear combination of nearby data points that best fits their predetermined covariance estimate. Both of these approaches are in some ways exactly what we want: given a problem give me ‘the answer’.
Hypertension and Cerebral Diffusion Tensor Imaging in Small Vessel Disease (2010)

Our data show that diffusion tensor imaging may be an appropriate tool to monitor the effect of blood pressure and the response to treatment on white matter integrity, probably even before the development of WMLs on fluid-attenuated inversion recovery.
Transgene Expression Level and Inherent Differences in Target Gene Activation Determine the Rate and Fate of Neurogenin3-Mediated Islet Cell Differentiation In Vitro (2007)

A significant challenge in many areas of tissue engineering is a readily available source of cells. One approach to address this challenge is to direct the differentiation of expandable stem or progenitor cells or the transdifferentiation of an already differentiated cell type to the desired cell type. A variety of methods have been explored for directing cell differentiation, including the ectopic expression of transcriptional factors that are known to influence cell differentiation during development. One such transcription factor, neurogenin3 (Ngn3), plays a critical role in islet cell development in vivo. Ectopic expression of Ngn3 in various cell types has previously been shown to promote differentiation toward islet cell phenotypes, but the overall efficiency of this differentiation and the specific islet cell type produced vary widely between reports. The present work evaluates the hypotheses that cellular response is determined by (1) differentiation status of the starting cell, (2) basal expression of other transcriptional factors, and (3) level of ectopic Ngn3 expression. Retroviral vectors were used to express Ngn3 in primary adult pancreatic ductal epithelial cells (PDEC), embryonic and adult stem cells (ESC and ASC), and transformed mouse pancreatic adenocarcinoma (mPAC) cells in vitro. Changes in phenotypes were assessed using quantitative reverse transcription polymerase chain reaction (qRT-PCR), gene arrays, and immunohistochemistry. When Ngn3 was ectopically expressed in mouse and rat PDEC, downstream transcription factors (e.g., NeuroD, Nkx2.2, Isl-1) and endocrine hormones (most notably, ghrelin and somatostatin) were highly upregulated in a dose-dependent manner. In comparison to mPAC and mouse embryonic stem cells (mESC), PDEC displayed higher expression of most islet markers after normalization to Ngn3 levels. Differences in the basal expression and activation of transcription factors (e.g., Pax4, Pax6, and Nkx6.1) were observed between cell types, suggesting a mechanism by which precursors might preferentially generate different islet cell types.
Electromagnetic-Optical Coherence Tomography Guidance of Transbronchial Solitary Pulmonary Nodule Biopsy (2014)

Abstract : We present a novel high-resolution multimodality imaging platform utilizing CT and electromagnetic (EM) navigation for spatial guidance to targeted lung nodules, and OCT for microscopic volumetric imaging. The OCT optic fiber probe and EM sensor were incorporated into a single flexible catheter. The catheter was designed to be compatible with a custom peripheral transbronchial aspiration needle to enable both imaging and specimen collection. The EM sensor guides the catheter and biopsy needle to the spatial location of the pulmonary nodules and OCT images are obtained to microscopically assess the tissue.
Ethanol Tolerance in &lt;i&gt;Aspergillus niger&lt;/i&gt; and &lt;i&gt;Escherichia coli&lt;/i&gt; Phytase (2012)

Despite yeast having its own native phytase, the high levels of phytate found in DDGS, a byproduct of ethanol (ETOH) fermentation, suggest that its activity is diminished in the presence of ETOH. Ethanol, a product of grain fermentation, is known to inactivate several hydrolytic enzymes but its effect on phytases is relatively unknown. In this study, two phytases, Aspergillus niger (PhyA) and Escherichia coli (AppA2), were tested for ETOH tolerance. The E. coli phytase displayed greater ethanol tolerance over fungal phytase in the 5% to 10% range. However, ETOH inactivation was found to be reversible for both the enzymes. These differences in ETOH tolerance do suggest that there is a potential to achieve higher ETOH tolerance in phytases by 'structure-function' studies to lower phytic acid levels in DDGS and for other applications.
Removal of boron from aqueous solutions by continuous polymer-enhanced ultrafiltration with polyvinyl alcohol (2002)

Boron is a highly contaminating metal due to its toxic effects for plants even at very low concentrations. Continuous polymer-enhanced ultrafiltration (PEUF) was applied for removal of boron from aqueous solutions. The effects of operating parameters on the performance of PEUF were investigated. A commercial polymer, polyvinyl alcohol (PVA) was used as the boron-complexing agent. The methodology consists of two steps: complexing boron with PVA following separation of boron and polymer complexes by ultrafiltration process. The pilot scale system utilized for the PEUF process accommodates a spiral-wound cellulose cartridge with 10,000 Da MWCO. The experimental parameters studied are metal/polymer ratio (loading) (0.01-0.5), pH (7-10), and the polymer characteristics such as molecular weight (M-n) of the polymer and degree of hydrolysis (DoH). The results showed that PEUF could be a successful alternative method for removal of boron. The permeate flux remained constant at around 19 L/m(2) hr throughout the runs and the fluxes were not affected by the operating parameters studied and by the polymer characteristics. When the loading values were decreased, the retention of boron was increased. Also, pH had an important influence as increase in pH resulted in increase in retention of boron. The polymeric M-n of the polymer did not have any influence on the retention of boron while an increase in DoH caused a decrease in retention of boron.
Forming-free metal-oxide ReRAM by oxygen ion implantation process (2016)

We propose a new method for obtaining forming-free ReRAM devices by oxygen ion implantation (O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> IIP) in the metal oxide film during the device fabrication process. By tuning the implantation dose, as-fabricated devices can be transformed into the ON state. Subsequent standard RESET and SET switching cycles reveal that the forming-free devices switch in a similar way to reference (formed) devices. The devices also show good R <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">OFF</sub> /R <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">ON</sub> ratio (>200), retention (10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</sup> sec@125°C) and endurance reliability (10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sup> cycles), showing the absence of any device degradation caused by the O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> IIP process. This method is applied on both (PVD) Ta <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">5</sub> and (ALD) HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> nanoscale ReRAM devices, demonstrating the versatile applications of the technique.
Porphyrin-Based Hole Conducting Electropolymer (2007)

The monomer 5-(4-aminophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin was synthesized and found to electropolymerize on platinum, indium tin oxide, and other electrodes to form a clear, semiconducting film with strong absorption in the visible spectral region. The linear, hole-conducting polymer has a unique structure, with porphyrin units linked to one another through the 5-(4-aminophenyl) nitrogen atom and the carbon atom at the 15-position on the macrocyclic ring. The porphyrin macrocyclic ring is thus an integral part of the linear polymer backbone. The oxidation potential of the film is 0.85 V and the reduction potential is −1.12 V vs SCE. The absorption spectrum of the film resembles that of a monomeric model porphyrin, but with significant peak broadening. Streak camera studies of the fluorescence of the polymer yield a lifetime of 15 ps, indicating strong quenching of the porphyrin first excited singlet state relative to that of the monomer. The properties of the polymer suggest that it may be useful in sensors, catalysts, and solar energy conversion devices.
294-OR: Discovery of a Novel Secretory Protein from the Gut Microbiome That Promotes Immune Tolerance and Ameliorates Autoimmunity via Dendritic Cell Induction of IL-10 (2020)

The human gut microbiota has been associated with diverse autoimmune diseases; however, the underlying mechanisms are largely unknown. To identify gut microbes and derived bioactive molecules that can promote immune tolerance, we systematically investigated the immunoregulatory potential of each member in the Altered Schaedler Flora (ASF) that has demonstrated diverse immune functions in mice. We observed that the eight ASF members presented a division of labor in promoting distinct immunophenotypes of bone marrow-derived dendritic cells, such as the production of IL-10, TNF-a, and TGF-b, and the induction of regulatory T cells. Interestingly, Parabacteroides goldsteinii ASF519 induced strong immune tolerance via novel mechanisms as evidenced by non-pan T cells-mediated promotion of Foxp3+ Treg proliferation and reduction of cytotoxic CD8 T cells, as well as TNF-a signaling-independent IL-10 production. Via bioactivity-guided fractionation, ASF519-derived molecules responsible for inducing immune tolerance were identified to be heat-labile secretory proteins with yet-uncharacterized functions. Genome-wide screening additionally identified a complex regulatory network that controls the immunoregulatory potency of ASF519. ASF519 colonization in germ-free mice significantly reduced IL-4 and IL-5 in sera and increased the transcript abundance of ll-10 and ll-17A in colon, suggesting potential roles of ASF519 in modulating both intestinal and systemic immune functions. In mouse immune disease models, oral administration of ASF519 demonstrated a protective role in the development of dextran sodium sulfate-induced colitis and collagen-induced arthritis. Relevant mechanisms are now under investigation. This study has the potential to provide novel therapeutic avenues for the prevention and treatment of autoimmune diseases. Disclosure A. Kostic: None. Funding American Diabetes Association/Pathway to Stop Diabetes (1-17-INI-13)
Multichannel 3D plotting for complex tissue equivalents and implants for defects at tissue interfaces (2016)

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Reconfigurable microwave photonic transversal filter based on an integrated Kerr comb (2018)

A reconfigurable microwave photonic filter (MPF) based on an integrated Kerr comb source was proposed and demonstrated. By employing an on-chip micro-ring resonator (MRR), a broadband Kerr comb with a large number of comb lines was generated and used as a high-quality multi-wavelength source for the MPF, which greatly reduced the size and cost. The enhanced performance of the MPF was theoretically analysed and systematically characterized. Due to the large channel number and high reconfigurability of the scheme, the MPF features an improved Q factor and wideband tunability. The experimental results matches well with theory, verifying the feasibility of our approach as a solution towards implementing highly reconfigurable MPFs with reduced system complexity.
Comparison of Polymeric Cyanoacrylate Adhesives with Suturing in Free Gingival Graft Stability: A Split Mouth Trial (2021)

The aim is to compare the use of Cyanoacrylate adhesives (CAA) to the conventional suturing technique in terms of free gingival grafts (FGG) stability and healing in lower anterior and premolar regions. A split mouth design was initiated on 22 participants. Each side (from 2nd premolar to central incisor) was randomized to either the control or test groups. In the control group, sutures were used to stabilize the FGG, while, in the test group, the FGG was stabilized with butyl-cyanoacrylate. Full-periodontal clinical parameters were employed to assess the periodontal health. FGG-related parameters assessed included the keratinized tissue width (KTW), gingival tissue thickness (GTT), FGG shrinkage% and pain using the VAS score. No significant differences in the mean values of the KTW nor FGG shrinkage% across six time points (<i>p</i> < 0.05) were observed, whereas highly significant differences in the mean values of GTT across six time points (F = 3.32; <i>p</i> = 0.008) were observed. The use of CAA in FGG stability and healing is comparable to conventional suturing for soft tissue grafts in terms of success outcomes. With its cost effectiveness, lesser time consumption, post-operative pain and comparable graft stability and dimensions, the use of CAA may be a promising alternative for conventional and microsurgical techniques for the stabilization of FGG in the oral cavity.
Teaching Executive Functions, Self-Management, and Ethical Decision-Making through Popular Videogame Play (2013)

Numerous studies support the contention that videogames can be useful in developing specific attention and memory skills. Videogames and other digital technologies also require the practice of critical-thinking and executive-functioning skills, but there is little evidence that these skills, which lead to decision-making and problem-solving skills, can be generalized from the game to the real world. This chapter examines strategies that use videogames to enhance the development of these problem-solving and ethical decision-making skills. This chapter discusses the use of these strategies with a clinical population of children with Attention Deficit Hyperactivity Disorder (ADHD) and learning disabilities and considers methods for parents, teachers, and game publishers to make popular videogames a potent teaching tool for developing decision-making skills in children.
Generative Spoken Dialogue Language Modeling (2023)

Abstract We introduce dGSLM, the first “textless” model able to generate audio samples of naturalistic spoken dialogues. It uses recent work on unsupervised spoken unit discovery coupled with a dual-tower transformer architecture with cross-attention trained on 2000 hours of two-channel raw conversational audio (Fisher dataset) without any text or labels. We show that our model is able to generate speech, laughter, and other paralinguistic signals in the two channels simultaneously and reproduces more naturalistic and fluid turn taking compared to a text-based cascaded model.1,2
Quantitatively Analyzing the Influence of Side Chains on Photovoltaic Properties of Polymer−Fullerene Solar Cells (2010)

Conventional wisdom dictates that the band gap and energy levels of a conjugated polymer are primarily determined by the molecular structure of the conjugated backbone, while the solubilizing alkyl chains should have a negligible impact on these properties. Hence the side chains should have minimal impact on the short circuit current (Jsc) and open circuit voltage (Voc) of corresponding polymer based bulk heterojunction (BHJ) solar cells. Contrary to the “conventional wisdom”, we demonstrate that the side chain of a low band gap polymer (PNDT-DTBT) significantly impacts the observed Voc and Jsc of the corresponding BHJ solar cell with variations as much as 100%, depending upon the length and shape of these alkyl chains. The observed difference in Voc and Jsc is quantitatively correlated with a pre-exponential dark current term, Jso, which accounts for the intermolecular interactions in the polymer/PCBM blends.
Synthesizing partial component-level behavior models from system specifications (2009)

Initial system specifications, such as use-case scenarios and properties, only partially specify the future system. We posit that synthesizing partial component-level behavior models from these early specifications can improve software development practices. In this paper, we provide a novel algorithm for deriving a Modal Transition System (MTS) for individual system components from system-level scenario and property specifications. The generated MTSs capture the possible component implementations that (1) necessarily provide the behavior required by the scenarios, (2) restrict behavior forbidden by the properties, and (3) leave the behavior that is neither explicitly required nor forbidden as undefined. We also show how our algorithm helps to discover potential design flaws.
Studies of a linear single-molecule magnet (2007)

Reaction of the dinuclear complex [Mn2O2(bpy)4](ClO4)3 with H3cht (cis,cis-l,3,5-cyclohexanetriol) in MeCN produces the complex [Mn3(Hcht)2(bpy)4](ClO4)3.Et2O.2MeCN (1.Et2O.2MeCN). Dc magnetic susceptibility measurements reveal the existence of weak ferromagnetic exchange between the three Mn ions, leading to a spin ground state of S = 7, with D = -0.23 cm(-1). W-Band (94 GHz) EPR measurements on restrained powdered crystalline samples confirm the S = 7 ground state and determine the ground state zero-field splitting (ZFS) parameters of D = -0.14 cm(-1) and B4(0)= +1.5 x 10(-5) cm(-1). The apparent 4th order behaviour is due to a breakdown of the strong exchange limit approximation (J approximately d, the single-ion ZFS). Single crystal dc relaxation decay and hysteresis loop measurements reveal the molecule to have an appreciable energy barrier to magnetization relaxation, displaying low temperature sweep rate and temperature-dependent hysteresis loops. Density functional studies confirm the ferromagnetic exchange coupling between the Mn ions.
Increased Noradrenaline Content of Hypothalamic Nuclei in Association with Worsening of Hypertension after High Sodium Intake in the Young Spontaneously Hypertensive Rat (1982)

1. High sodium intake results in an exacerbation of hypertension accompanied by evidence of increased peripheral sympathetic activity in the young spontaneously hypertensive rat (SHR) of the Okamoto strain. 2. To examine the hypothesis that high sodium intake increases peripheral sympathetic activity via an influence on central noradrenergic pathways involved in cardiovascular regulation, the effect of dietary sodium intake on noradrenaline stores of individual hypothalamic nuclei was examined in young SHR. 3. After 2 weeks of high sodium intake, the noradrenaline content of the anterior and dorsomedial hypothalamic nuclei of SHR was increased when compared with SHR receiving normal sodium intake. Increases in the noradrenaline content of anterior hypothalamic nucleus persisted at 4 weeks. No changes were seen in other regions examined. 4. These observations lend support to the hypothesis that sodium and the sympathetic nervous system have synergistic effects in the pathogenesis of hypertension in the SHR.