gebhart/patrepeval huggingface dataset:
Phase-field simulation of solidification dendritic segregation in Ti-45Al alloy (2017)

The microstructures and mechanical properties of TiAl alloys are directly linked to micro-segregation which cannot be avoided during solidification. So a thorough understanding of the micro-segregation should be a great help to further enhance the mechanical properties of the cast products. Theoretical analysis and experiments have been used to predict the micro-segregation, but it is very difficult to observe and determine the dendritic segregation in the micro region. Phase-field method has been employed for the simulation of dendritic growth. However, due to the complicated quasi-sub regular solution model for Ti-45Al(at.%) alloy, the classic phase-field models have difficulty to deal with the free energy. In this work, a phase-field model by linking thermodynamic calculation was used to simulate solidification dendritic segregation of Ti-45Al alloy for Liquid→Liquid+β(Ti). The free energies of solid phase and liquid phase for Ti-45Al alloy were calculated by Thermo-Calc and then coupled with the phase-field equations. The simulation results show the dendritic morphology and Al content variations between liquid and growing solid phase for Ti-45Al alloy. With the growth of the β(Ti), dendritic segregation is formed in the liquid and solid phases due to the solute partitioning and rejection into the liquid. As a result, the dendrite arms are depleted of Al element, while the inter-dendrites are enriched. The dendritic tip growth velocity decreases with the progress of solidification, whereas the segregation ratio increases.
ChemInform Abstract: Aerosol Synthesis and Applications of Single‐Walled Carbon Nanotubes (2011)

Abstract Review: 171 refs.
Dopamine modulation of prefrontal cortex activity is manifold and operates at multiple temporal and spatial scales (2018)

Abstract While the function of dopamine in subcortical structures is largely limited to reward and movement, dopamine neurotransmission in the prefrontal cortex (PFC) is critical to a multitude of temporally and functionally diverse processes such as attention, working memory, behavioral flexibility, action selection, and stress adaptation. How does dopamine influence PFC computation of multiple temporally diverse functions? Here we find causation between sustained and burst patterns of phasic dopamine neuron activation and contemporaneous modulation of PFC neuronal activity at multiple spatio-temporal scales. These include a multidirectional and weak impact on individual PFC neuron rate activity and a robust influence on coordinated ensemble activity, gamma oscillations, and gamma-theta coupling that persisted for minutes. In addition, PFC network responses to burst pattern of dopamine firing were selectively strengthened in behaviorally active states. Thus, dopamine modulation of PFC is spatiotemporally diverse and is dictated by the pattern of dopamine neuron activation and behavioral state. These findings provide insight on the multiplex pattern of modulation by dopamine that may influence PFC computation of temporally diverse functions.
<title>Combining a few diagnostic tests or features</title> (1994)

There are many current trends toward combining diagnostic tests and features in medical imaging. For this reason we have been exploring the stucture of the finite-training-sample bias and variance that one encounters in pilot or feasibility studies within this paradigm. Here we report on the case of the simple linear Bayesian classifier in a space of a few dimensions (two through fifteen). The results argue for the importance of estimating these effects in clinical studies, perhaps through the use of resampling techniques.
The Antibacterial Effects of Quaternary Ammonium Salts in the Simulated Presence of Inhibitors in Root Canals: A Preliminary In-Vitro Study (2020)

To investigate the antibacterial effects of two newly developed quaternary ammonium salts (QAMs)-dimethylaminododecyl methacrylate (DMADDM) and dimethylaminohexadecyl methacrylate (DMAHDM), in the presence of various root canal inhibitors. Streptococcus gordonii, Enterococcus faecalis, Lactobacillus acidophilus and Actinomyces naeslundii were used. Dentine, dentine matrix and dead bacteria were selected as inhibitors. The antimicrobial efficacy of monomers of DMADDM and DMAHDM was tested against suspensions formed by mixtures of four bacterial species in or without the presence of inhibitors. The inhibition results were compared with chlorhexidine (CHX) and sodium hypochlorite (NaOCl). One-way analyses of variance (ANOVA) followed by Tukey’s multiple comparison test was performed to determine significant differences. The antibacterial effects of DMADDM and DMAHDM were variably inhibited dentine, dentine matrix and dead bacteria. CHX and NaOCl showed substantivity and they inhibited bacteria present in suspension. The concentration of compound decreased in the dentine block due to constant release. Bacterial colonies on the dentine surface and dentine tubules were significantly inhibited by DMADDM and DMAHDM. The antibacterial effects of DMADDM and DMAHDM could be inactivated by dentine, dentine matrix and dead bacteria, while DMADDM and DMAHDM could inhibit bacteria colonization on the dentine surface and kill bacteria present in dentinal tubules. The antibacterial effects of DMADDM and DMAHDM as free monomers in the presence of inhibitors was evaluated for the first time. They could help inhibit the residual bacteria on the dentine surface and in dentinal tubules that may cause persisting infection. Therefore the novel QAMs showed great potentials as root canal medication.
Single-event high-compression inertial confinement fusion at low temperatures compared with two-step fast ignitor (2003)

Compression of plasmas with laser pulses in the 10-kJ range produced densities in the range of 1000 times that of the solid state, where however the temperatures within a few hundred eV were rather low. This induced the fast ignitor scheme for central or peripheral deposition of some 10-kJ ps laser pulses on conventional $n_{\rm s}$ -precompressed DT plasma of 3000 times solid-state density. We present results where the ps ignition is avoided and only a single-event conventional compression is used. Following our computations of volume ignition and the excellent agreement with measured highest fusion gains of volume compression, we found conditions where compression to 5000 times that of the solid state and by using laser pulses of 10 MJ produce volume ignition with temperatures between 400 and 800 eV only for high-gain volume ignition.
Interface passivation mechanisms in metal gated oxide capacitors (2004)

We use the conductance technique to measure the density of interface states, D/sub it/, in MOS capacitors with metal gate electrodes. D/sub it/ as a function of the band gap is extracted for a series of capacitors. ALD TiN electrodes show poor passivation while PVD TaN electrodes do not. There is no evidence that the poor passivation in the TiN electrodes is because of low hydrogen diffusion through the metal oxide stack. Possibly, the strain induced by the ALD metal layer or contamination from the metal precursors are responsible for the poor passivation.
Isolation of an Hswl Nav4 Influenza Virus from a Tufted Duck (Aythya fuligula) in Japan (1981)

A hemagglutinating agent was isolated from a tufted duck captured in Lake Shinji, Shimane Prefecture, Japan, and identified as influenza A by double immunodiffusion tests with the antiserum to influenza A virus ribonucleoprotein. The hemagglutinin in the isolate was antigenically related to that of A/New Jersey/8/76 but was not identical with it. The neuraminidase antigen of this Hswl subtype was closely related to that of A/turkey/Ontario/6118/68 and was shown to be Nav4 subtype. After experimental infection of 5-week-old SPF-chickens with the isolate, virus was recovered from various organs including the brain, despite the absence of signs of disease.
Degradation of deoxynivalenol by suspension cultures of the fusarium head blight resistant wheat cultivar Frontana (1986)

(1986). Degradation of deoxynivalenol by suspension cultures of the fusarium head blight resistant wheat cultivar Frontana. Canadian Journal of Plant Pathology: Vol. 8, No. 2, pp. 147-150.
Sorting nexin 24 genetic variation associates with coronary artery aneurysm severity in Kawasaki disease patients (2013)

The sorting nexin (SNX) family is involved in endocytosis and protein trafficking and plays multiple roles in various diseases. The role of SNX proteins in Kawasaki disease (KD) is not known. We attempted to test whether genetic SNX variation associates with the risk of coronary artery aneurysm (CAA) formation in KD. Chi-square tests were used to identify SNX24 genetic variants associated with KD susceptibility and CAA formation in KD; models were adjusted for fever duration and time of first administration of intravenous immunoglobulin. We obtained clinical characteristics and genotypes from KD patients (76 with CAA and 186 without CAA) in a population-based retrospective KD cohort study (n = 262). Clinical and genetic factors were associated with CAA formation in KD. In addition, endothelial cell inflammation was evaluated. Significant correlation was observed between KD with CAA complications and the rs28891 single-nucleotide polymorphism in SNX24. Patients with CC + CT genotypes had lesser CAA complications. In lipopolysaccharide-treated human umbilical vein endothelial cells, siRNA knockdown of SNX24 significantly decreased gene expression of the proinflammatory cytokines IL-1 beta, IL-6, and IL-8. Polymorphisms in SNX24 may be used as genetic markers for the diagnosis and prognosis of CAA formation in KD.
A new method to predict neural excitation thresholds for applied electric fields (1992)

We have developed a method to predict excitation thresholds of axons based on the response of passive cable models. An expression describing the transmembrane potential Induced in passive cables by an applied electric field is presented. Two terms were found to drive the polarization of a node: a source term described by the activating function at the node, and an ohmic term resulting from redistribution of current from sources at other nodes. The expression is used to predict accurately threshold currents, and greatly reduces the computation time necessary to determine the current required to excite a large number of fibers.
Injectable Biodegradable Poly(ethylene glycol)/RGD Peptide Hybrid Hydrogels for in vitro Chondrogenesis of Human Mesenchymal Stem Cells (2010)

In this study, an injectable and biodegradable poly(ethylene glycol) (PEG)/arginine-glycine-aspartic (RGD) peptide hybrid hydrogel has been synthesized and used as a biomimetic scaffold for encapsulation of human mesenchymal stem cells (hMSCs). Tetrahydroxyl PEG was functionalized with acrylate, and then reacted with thiol-containing peptide (RGD). Gelation occurred within 30 min with the addition of cells and PEG-dithiol via Michael addition. The hydrogels synthesized with a peptide concentration of 1.0-5.0 mM achieved significantly greater cell viability when compared to the hydrogels without the RGD peptide. However, the effect of RGD on chondrogenesis was found to be dose-dependent. Immunohistology studies demonstrated that hMSCs encapsulated in the hydrogel matrix with 1.0 mM RGD and TGF-β3 showed enhanced positive staining for aggrecan and type II collagen as compared to that with 5.0 mM RGD and unmodified PEG hydrogels. RT-PCR results further revealed that the cells in hydrogels with 1 mM RGD expressed significantly higher levels of type II collagen than those in PEG hydogels without RGD peptide. These findings have demonstrated that the PEG-RGD hydrogels can be a promising scaffold to deliver hMSCs for cartilage repair.
Introduction to Information Theory and Data Science. (2021)

The purpose of this chapter is to set the stage for the book and for the upcoming chapters. We first overview classical information-theoretic problems and solutions. We then discuss emerging applications of information-theoretic methods in various data-science problems and, where applicable, refer the reader to related chapters in the book. Throughout this chapter, we highlight the perspectives, tools, and methods that play important roles in classic information-theoretic paradigms and in emerging areas of data science. Table 1.1 provides a summary of the different topics covered in this chapter and highlights the different chapters that can be read as a follow-up to these topics.
Exercise induces new cardiomyocyte generation in the adult mammalian heart (2018)

Loss of cardiomyocytes is a major cause of heart failure, and while the adult heart has a limited capacity for cardiomyogenesis, little is known about what regulates this ability or whether it can be effectively harnessed. Here we show that 8 weeks of running exercise increase birth of new cardiomyocytes in adult mice (~4.6-fold). New cardiomyocytes are identified based on incorporation of <sup>15</sup>N-thymidine by multi-isotope imaging mass spectrometry (MIMS) and on being mononucleate/diploid. Furthermore, we demonstrate that exercise after myocardial infarction induces a robust cardiomyogenic response in an extended border zone of the infarcted area. Inhibition of miR-222, a microRNA increased by exercise in both animal models and humans, completely blocks the cardiomyogenic exercise response. These findings demonstrate that cardiomyogenesis can be activated by exercise in the normal and injured adult mouse heart and suggest that stimulation of endogenous cardiomyocyte generation could contribute to the benefits of exercise.
Survivorship Issues in Adult Patients With Histiocytic Neoplasms (2021)

Adult-onset histiocytoses (AOH), primarily Rosai-Dorfman disease (RDD), Erdheim-Chester Disease (ECD), and adult Langerhans cell histiocytosis (ALCH), are a group of related histiocytic neoplastic disorders featuring multisystemic manifestations. The disorders are largely incurable, and are essentially chronic neoplastic diseases with a variable prognosis. Prompt diagnosis and treatment is important to prevent debilitating and even life-threatening complications. Survivorship issues abound in AOH, due to their multisystemic manifestations and the sometimes recalcitrant chronic inflammation, which can lead to other debilitating complications such as fatigue, weakness, and pain. Because these disorders are rare, few healthcare professionals are proficient in their management; therefore the aim of these guidelines is to offer guidance on how to manage patients, and how to create survivorship care plans through the efforts of an interdisciplinary team.
Ion-implanted Schottky barrier solar cell (1976)

The effective height of a Schottky barrier solar cell can be increased by implanting a thin layer (∼ 100Å) of impurity of opposite conductivity to that of the substrate. The implanted solar cell becomes insensitive to changes in interfacial oxide, surface state densities and work function. The maximum open circuit voltage thus fabricated was 0.52 V. The short circuit current for this cell was 25 mA cm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">-2</sup> (without interdigitated metallization or antireflection coating). Open circuit voltage is related to the steepness of the implant doping density gradient near the metal-semiconductor interface. Thus, implantation is superior to diffusion doping in that it provides the doping density gradient of maximum steepness. Analysis shows that the range of the implant must be less than 100Å and the dosage greater than 10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">13</sup> cm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">-2</sup> to achieve maximum open circuit voltage.
A Chiral Synthesis of (−)-Spiro[1-azabicyclo[2.2.2]octane-3,5‘- oxazolidin-2‘-one]:  A Conformationally Restricted Analogue of Acetylcholine That Is a Potent and Selective α7 Nicotinic Receptor Agonist (2004)

A direct, short chiral synthesis of the selective alpha7 nicotinic receptor agonist (-)-spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin-2'-one] (AR-R17779) is presented. The key step utilized attack of the dianion of the (R)-HYTRA ester [(R)-(+)-2-hydroxy-1,2,2-triphenylethyl acetate] on quinuclidin-3-one, followed by a selective precipitation of the diasteriomeric tertiary alcohol that led to (S)-(-)-AR-R17779 in two additional steps.
A One‐Pot Synthesis of 1,3‐Benzoxazines (2004)

Abstract Reaction of substituted 2‐hydroxyacetophenones with amines under microwave irradiation (M.W.) gave the corresponding imines (Schiff bases) which were treated without separation or identification with triphosgene to give 4‐methylene‐1,3‐benzoxazines in good yields.
Procedural Guidelines for Ecological Risk Assessments at U.S. Army Sites, Volume 2 - Research and Bimonitoring Methods for the Characterization of Ecological Effects. (1995)

Abstract : The purpose of this report is to provide guidance for procedures to conduct ecological risk assessment (ERA) for use by risk assessors under contract to the U.S. Army Environmental Center (AEC) at Army National Priority (NPL) sites and sites listed under the Base Realignment and Closure (BRAC) program. This report contains information on more than 100 environmental models and test methods. These methodologies can assist the risk assessor in the RI/FS process to select appropriate methods to address the issues of concern.
Is Resynchronization Between Left and Right Ventricles Responsible for Improving Hemodynamic Function of Heart Failure Patients with LBBB? (2000)

Conclusions: For the selected group of pts, pacing therapy brings short-term benefit to patients, with amplitude related to hemodynamic improvement. This finding is reinforced after 12 months of resynchronization therapy.
Apolipoprotein E Receptor LR11 (2004)

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GraftFast Surface Engineering to Improve MOF Nanoparticles Furtiveness (2018)

Controlling the outer surface of nanometric metal-organic frameworks (nanoMOFs) and further understanding the in vivo effect of the coated material are crucial for the convenient biomedical applications of MOFs. However, in most studies, the surface modification protocol is often associated with significant toxicity and/or lack of selectivity. As an alternative, how the highly selective and general grafting GraftFast method leads, through a green and simple process, to the successful attachment of multifunctional biopolymers (polyethylene glycol (PEG) and hyaluronic acid) on the external surface of nanoMOFs is reported. In particular, effectively PEGylated iron trimesate MIL-100(Fe) nanoparticles (NPs) exhibit suitable grafting stability and superior chemical and colloidal stability in different biofluids, while conserving full porosity and allowing the adsorption of bioactive molecules (cosmetic and antitumor agents). Furthermore, the nature of the MOF-PEG interaction is deeply investigated using high-resolution soft X-ray spectroscopy. Finally, a cell penetration study using the radio-labeled antitumor agent gemcitabine monophosphate (<sup>3</sup> H-GMP)-loaded MIL-100(Fe)@PEG NPs shows reduced macrophage phagocytosis, confirming a significant in vitro PEG furtiveness.
TEST-RETEST; THE RELIABILITY OF THE DEM, KING-DEVICK, AND VISAGRAPH (1994)

Kohl, Paul OD; Rosenow, Robert PharmD, OD; Clary, Dawn OD; Peters, Joseph OD. Author Information
Catalytic and spectroscopic analysis of blue copper-containing nitrite reductase mutants altered in the environment of the type 2 copper centre: implications for substrate interaction (2001)

The blue dissimilatory nitrite reductase (NiR) from Alcaligenes xylosoxidans is a trimer containing two types of Cu centre, three type 1 electron transfer centres and three type 2 centres. The latter have been implicated in the binding and reduction of nitrite. The Cu ion of the type 2 centre of the oxidized enzyme is ligated by three His residues, and additionally has a co-ordinated water molecule that is also hydrogen-bonded to the carboxyl of Asp(92) [Dodd, Van Beeumen, Eady and Hasnain (1998), J. Mol. Biol. 282, 369-382]. Two mutations of this residue have been made, one to a glutamic acid residue and a second to an asparagine residue; the effects of both mutations on the spectroscopic and catalytic properties of the enzyme have been analysed. EPR spectroscopy revealed that both mutants retained intact type 1 Cu centres with g( parallel)=2.12 (A( parallel)=0 mT) and g( perpendicular)=2.30 (A( perpendicular)=6.4 mT), which was consistent with their blue colour, but differed in their activities and in the spectroscopic properties of the type 2 centres. The D92E mutant had an altered geometry of its type 2 centre such that nitrite was no longer capable of binding to elicit changes in the EPR parameters of this centre. Accordingly, this mutation resulted in a form of NiR that had very low enzyme activity with the artificial electron donors reduced Methyl Viologen and sodium dithionite. As isolated, the EPR spectrum of the Asp(92)-->Asn (D92N) mutant showed no characteristic type 2 hyperfine lines. However, oxidation with iridium hexachloride partly restored a type 2 EPR signal, suggesting that type 2 copper is present in the enzyme but in a reduced, EPR-silent form. Like the Asp(92)-->Glu mutant, D92N had very low enzyme activities with either Methyl Viologen or dithionite. Remarkably, when the physiological electron donor reduced azurin I was used, both mutant proteins exhibited restoration of enzyme activity. The degree of restoration differed for the two mutants, with the D92N derivative exhibiting approx. 60% of the activity seen for the wild-type NiR. These findings suggest that on formation of an electron transfer complex with azurin, a conformational change in NiR occurs that returns the catalytic Cu centre to a functionally active state capable of binding and reducing nitrite.
Me3(OMe)tBuXPhos: A Surrogate Ligand for Me4tBuXPhos in Palladium-Catalyzed C–N and C–O Bond-Forming Reactions (2012)

A new biarylphosphine ligand, Me(3)(OMe)tBuXPhos (L3), was designed as a surrogate for Me(4)tBuXPhos (L1). The Me(3)(OMe)tBuXPhos could be prepared in a chromatography-free manner from inexpensive and readily available 2,3,6-trimethylphenol. Comparative studies demonstrated that a catalyst based on Me(3)(OMe)tBuXPhos displayed the same reactivity as a catalyst based on Me(4)tBuXPhos for Pd-catalyzed C-N and C-O bond-forming processes.
Cast Nephropathy in Myeloma—Does PACAP38, a New Member of the Vasoactive Intestinal Peptide Family, Open a Therapeutic Window? (2006)

Multiple myeloma is the sixth most common malignancy and accounts for 2% of all deaths from cancer ([1][1]). Renal damage from myeloma is an important cause of renal failure ([2][2]) with a poor prognosis. The main renal lesions are cast nephropathy characterized by cast formation in the distal