gebhart/patrepeval huggingface dataset:
Synthesis and properties of bis(t-butyl)methoxides of chromium(<scp>III</scp>,<scp>IV</scp>), manganese(<scp>II</scp>), iron(<scp>III</scp>), cobalt(<scp>II</scp>), and copper(<scp>I</scp>). The crystal and molecular structures of lithium tetrakis[bis(t-butyl)methoxo]chromate(<scp>III</scp>)–tetrahydrofuran (1/1), tetrakis[bis(t-butyl)methoxo]chromium(<scp>IV</scp>), and lithium tetrakis[bis(t-butyl)methoxo]ferrate(<scp>III</scp>)–bis(t-butyl)-methanol (1/1) (1980)

By the interaction either of transition-metal dialkylamides with bis(t-butyl)methanol or of the halide with the lithium alkoxide, a series of neutral alkoxides or lithium alkoxo-metallate anions have been prepared for chromium(III,IV), manganese(II), iron(III), cobalt(II), and copper(I). Electron paramagnetic resonance and electronic absorption spectra are reported. The crystal and molecular structures of the complexes LiCr(OCHBut2)4·thf(1), Cr(OCHBut2)4(2), and LiFe(OCHBut2)4·But2CHOH (3) have been determined by an X-ray crystallographic study. Compound (1) is triclinic, space group P, with a= 19.986(2), b= 11.618(2), c= 11.390(1)Å, α= 117.61(1), β= 76.45(1), γ= 93.11(1)°, and Z= 2. Compound (2) is monoclinic, space group C2/c, with a= 20.249(3), b= 10.748(1), c= 20.275(2)Å, β= 116.68(1)°, and Z= 4. Compound (3) is monoclinic, space group P21/n, with a= 18.308(3), b= 22.505(4), c= 11.979(5)Å, β= 94.20(1)°, and Z= 4. The structures were determined using data measured on an automatic diffractometer and refined by least squares to R values of 0.068 (3 396 observed data), 0.067 (2 057 data), and 0.061 (4 879 data) for (1), (2), and (3) respectively. All structures contain a distorted tetrahedrally co-ordinated Cr or Fe atom; and in (1) and (3), the lithium ion is incorporated into the MO4 co-ordination sphere, and bridges two of the four alkoxo-oxygen atoms. The transition-metal geometries are discussed in terms of steric electronic factors.
CATEGORIZATION OF MACROMOLECULAR SEQUENCES BY MINIMAL LENGTH ENCODING (Ph.D. Thesis) (1990)

A new method for categorization of macromolecular sequences is developed by applying the Minimal Length Encoding principle. While the method is developed with the particular application in mind, the formal model may be applied to any categorization problem where the observations can be represented by using a finite set of attributes that take values from a finite set. The proposed method is shown to be more general than the categorization procedures based on Weighted Parsimony and Compatibility principles. The proposed method also provides a principled tradeoff between the number of inferred classes and their fit to data. A statistical significance test for the presence of classes is also proposed. The categorization problem is proven to be computationally hard even under various simplifying assumptions. To avoid the excessive computation time, an algorithm that is based on a local search strategy is proposed. The algorithm was applied to rediscover several known macromolecular sequence families as well as to discover new classes of Bacteriophage T7 promoters and Alu sequences. The algorithm was also tested on simulated data to determine the range of data parameters where it categorizes the sequences correctly. While the application of the Minimal Length Encoding principle was restricted to the categorization of macromolecules, a very general background on the process of categorization and the Minimal Length Encoding principle is also provided. It is proposed that categorization, and perhaps inductive inference in general, can be viewed as a process of minimal length encoding of observations.
Sand particle-Induced deterioration of thermal barrier coatings on gas turbine blades (2017)

Gas turbines operating in dusty or sandy environment polluted with micron-sized solid particles are highly prone to blade surface erosion damage in compressor stages and molten sand attack in the hot-sections of turbine stages. Commercial/Military fixed-wing aircraft engines and helicopter engines often have to operate over sandy terrains in the middle eastern countries or in volcanic zones; on the other hand gas turbines in marine applications are subjected to salt spray, while the coal-burning industrial power generation turbines are subjected to fly-ash. The presence of solid particles in the working fluid medium has an adverse effect on the durability of these engines as well as performance. Typical turbine blade damages include blade coating wear, sand glazing, Calcia-Magnesia-Alumina-Silicate (CMAS) attack, oxidation, plugged cooling holes, all of which can cause rapid performance deterioration including loss of aircraft. The focus of this research work is to simulate particle-surface kinetic interaction on typical turbomachinery material targets using non-linear dynamic impact analysis. The objective of this research is to understand the interfacial kinetic behaviors that can provide insights into the physics of particle interactions and to enable leap ahead technologies in material choices and to develop sand-phobic thermal barrier coatings for turbine blades. This paper outlines the research efforts at the U.S Army Research Laboratory to come up with novel turbine blade multifunctional protective coatings that are sand-phobic, sand impact wear resistant, as well as have very low thermal conductivity for improved performance of future gas turbine engines. The research scope includes development of protective coatings for both nickel-based super alloys and ceramic matrix composites.
Tejidos Líticos (2017)

&lt;p&gt;Sin duda las piedras reinan en el ombligo del mundo. Los muros que flanquean las calles angostas de la ciudad del Cusco despliegan sus geometrías líticas bajo la luz intensa del amanecer andino. Durante la Colonia, la traza de la ciudad transformó y recicló los muros de antiguas estructuras y templos dedicados a deidades prehispánicas para erguir iglesias y palacios barrocos. Hoy en día, entre los callejones estrechos y las plazas majestuosas, guías de turistas ataviados con ponchos de colores revelan con sus linternas figuras de animales invisibles: pumas, llamas y serpientes, todos ellos hechos de enormes moles superpuestas.&lt;/p&gt;
High Solids Coatings Performance and Service History (2011)

In the mid-1990’s, the Navy identified corrosion repair and preservation within tanks and voids as their primary maintenance cost of corrosion issue, consuming nominally $250 million per year. In response, the Navy instituted an aggressive program to study the root cause of these corrosion problems and implement solutions. The Navy program demonstrated that: Early 1990’s coating installation practices tended to limit the life of the coating systems.Legacy, solvent-based coating materials being utilized were not state of the art.Coatings tended to fail initially at “edges” (e.g., stiffeners, welds, etc.) within tanks.
Structural mapping of the glycans from the egg glycoproteins of <i>Schistosoma mansoni</i> and <i>Schistosoma japonicum</i>: identification of novel core structures and terminal sequences (1997)

The structural diversity of the glycans from Schistosoma mansoni and Schistosoma japonicum egg glycoproteins was investigated using high sensitivity fast atom bombardment mass spectrometric screening of glycan pools released enzymically or chemically from egg extracts. The egg glycoproteins from the two species carry a comparable range of high mannose and complex type N-glycans with both lacNAc and lacdiNAc constituting the backbones of the antennae in the latter class. Truncated N-glycans similar to those found on nematodes, insects, and plants were also identified. Sequential digestion with peptide N-glycosidase F and peptide N-glycosidase A afforded effective release and separation of N-glycans with nonfucosylated or alpha6-monofucosylated trimannosyl N,N'-diacetyl-chitobiose cores from those carrying core alpha3-, alpha6-difucosylation, all of which were found to be present in both species. Remarkably, a portion of the N-glycans from S. mansoni eggs was shown to be based on a xylosylated, alpha6-fucosylated trimannosyl core, whereas a portion of those from S. japonicum contains a xylosylated alpha3-, alpha6-difucosylated core which has not been previously described in any organism. O-Glycans were chemically released from the de-N-glycosylated glycopeptides and found to carry terminal sequences similar to those in the N-glycans. This study provides further evidence that multi-fucosylated terminal HexNAc units, previously identified on the cercarial glycocalyx O-glycans and egg glycosphingolipids, and now on the egg N- and O-glycans, are unique features of S. mansoni glycans. These multifucosylated terminal structures, which were not detected on the egg glycans of S. japonicum, are likely to constitute the cross-reacting epitopes between the eggs and cercariae of S. mansoni. Interestingly other HexNAc termini, including an unusual stretch of HexNAc3, were found to be common to both species. The mapping studies reported in this article provide an important foundation for further structural work in this challenging and important area of glycobiology.
Macrophage function in adipose tissue homeostasis and metabolic inflammation (2023)

Obesity-related metabolic organ inflammation contributes to cardiometabolic disorders. In obese individuals, changes in lipid fluxes and storage elicit immune responses in the adipose tissue (AT), including expansion of immune cell populations and qualitative changes in the function of these cells. Although traditional models of metabolic inflammation posit that these immune responses disturb metabolic organ function, studies now suggest that immune cells, especially AT macrophages (ATMs), also have important adaptive functions in lipid homeostasis in states in which the metabolic function of adipocytes is taxed. Adverse consequences of AT metabolic inflammation might result from failure to maintain local lipid homeostasis and long-term effects on immune cells beyond the AT. Here we review the complex function of ATMs in AT homeostasis and metabolic inflammation. Additionally, we hypothesize that trained immunity, which involves long-term functional adaptations of myeloid cells and their bone marrow progenitors, can provide a model by which metabolic perturbations trigger chronic systemic inflammation.
Nonequilibrium model of the superconducting tunneling junction x-ray detector (1986)

Giaever-type superconducting tunneling junctions are shown to be sensitive to the ionization energy of low-energy x-ray photons. The Mn K\ensuremath{\alpha} and Mn K\ensuremath{\beta} x-ray photons from a ${\mathrm{Fe}}^{55}$ source were detected with an energy resolution of 67 eV full width at half maximum (FWHM) at an energy of 5.89 keV with Sn/Sn oxide/Sn junctions evaporated on fused silica and operated at a temperature of 0.38 K. In this paper, a model of this detector is presented. The basic features are well described by dynamical Cooper-pair breaking and the relaxation mechanisms of nonequilibrium superconductivity. Quasiparticle diffusion had to be included in order to explain the observed data. The solutions of the four coupled Rothwarf-Taylor equations, one quasiparticle equation and one 2\ensuremath{\Delta}-phonon equation for each of the two films, agree reasonably well with measured pulse shapes.
Exposure to Candida albicans Polarizes a T-Cell Driven Arthritis Model towards Th17 Responses, Resulting in a More Destructive Arthritis (2012)

This study clearly shows that minute amounts of fungal components, like C. albicans, are very potent in interfering with the local cytokine environment in an arthritic joint, thereby polarizing arthritis towards a more destructive phenotype.
RECONFIGURABLE PATCH ANTENNA FOR FREQUENCY DIVERSITY WITH HIGH FREQUENCY RATIO (1.6:1) (2005)

ITC/USA 2005 Conference Proceedings / The Forty-First Annual International Telemetering Conference and Technical Exhibition / October 24-27, 2005 / Riviera Hotel & Convention Center, Las Vegas, Nevada
Highly soluble TRPV4 antagonists for oral and IV delivery (2020)

TRPV4 is a ligand-gated Na&lt;sup&gt;+&lt;/sup&gt;/Ca&lt;sup&gt;2+&lt;/sup&gt; ion channel that is highly expressed in the pulmonary vasculature and its activation is believed to cause the debilitating pulmonary edema associated with heart failure. We identified the pyrrolidine sulfonamide &lt;b&gt;1&lt;/b&gt; as a promising pre-candidate but were unable to progress the compound into a rat safety assessment study due to its poor oral bioavailability (7%) from high dose crystalline solid. Therefore, we implemented two strategic approaches to overcome the poor suspension dose oral exposure, both of which were aimed at improving aqueous solubility by introducing basic amines. A glycinate prodrug (&lt;b&gt;2&lt;/b&gt;) provided excellent exposure of the parent when orally administered at both low and high doses in the rat and dog. We also converted the diol to the corresponding amino-alcohol, taking advantage of the reduced lipophilicity of &lt;b&gt;1&lt;/b&gt; that was necessary to mitigate selectivity concerns (hERG and phospholipidosis) that had been identified in earlier, more lipophilic amino-alcohol analogs. This led to the identification of &lt;b&gt;3&lt;/b&gt;, a TRPV4 antagonist development candidate.
Electro-optic polymer optical fibers and their device applications (2002)

This paper will report recent developments in electro-optic polymer optical fibers. We discuss mainly the experimental work done by the Photonics and Optical Communications Group in the University of New South Wales. The relevant issues regarding material processing, design and fabrication of electric-optic polymer fibers and devices will be addressed. In particular, electro-optical polymer fibers that incorporating various electro-optic organic materials, including the well-known disperse red 1, the synthetically attached DR1 side chain monomers, optical liquid crystals, etc., have been fabricated and investigated.
Vascular-related NAC-domain 7 directly regulates a broad range of genes for xylem vessel differentiation (2011)

Background Xylem functions in conduction of water and minerals throughout the plants, and supports the plant body. One of the features of xylem cells is development of secondary wall structure between plasma membrane and (primary) cell wall. Recently, it is expected that knowledge on xylem development can be utilized for application of improvement of the plant biomass, since most portion of wood, which represents one of important sources of woody biomass, is mainly composed of two types of xylem cells, xylem vessels and fiber cells. Previously we established the in vitro transdifferentiation system, in which Arabidopsis suspension cells could synchronously transdifferentiate into xylem vessel elements. A number of genes whose expression is elevated during the transdifferentiation processes have been isolated by using microarray analysis [1]. We revealed that one of the identified genes, which encoded a NAC domain protein, VND7 (Vascular-Related NAC Domain Protein7), plays a pivotal role in promoting the xylem vessel differentiation [1,2]. Recently, to efficiently obtain xylem vessel elements, we used a glucocorticoid-mediated post-translational induction system [3]. The transgenic Arabidopsis plants exhibited transdifferentiation of most of cells into xylem vessel elements, and the plants died. This induction system worked in poplar trees and in suspension cultures of cells from Arabidopsis and tobacco. These data demonstrate that the induction systems controlling VND7 activity can be used as powerful tools for understanding xylem cell differentiation. Objectives of the research Several studies report that VND7 regulates expression of downstream of some transcription factors, suggesting that existence of transcriptional network regulating xylem vessel differentiation. Here, in order to identify direct target genes of VND7, we performed global transcriptome analysis using Arabidopsis transgenic lines in which VND7 activity could be induced posttranslationally.
Expression of enhanced spontaneous and gamma-ray-induced apoptosis by lymphocytes of the wasted mouse (1996)

Mice bearing the autosomal recessive mutation wasted (wst/wst) display a disease pattern including increased sensitivity of lymphocytes to ionizing radiation, neurologic dysfunction, and immunodeficiency. Many of the features of this mouse model have suggested a premature or increased spontaneous frequency of apoptosis in thymocytes. Past work has documented an inability to establish cultured T cell lines, and abnormally high death rate of stimulated T cells in culture, and an increased sensitivity of T cells to the killing effects of ionizing radiations in the wst/wst mouse relative to controls. The experiments reported here were designed to examine splenic and thymic lymphocytes from the wasted and control mouse for signs of early apoptosis. Our results revealed enhanced expression of Rp-8 mRNA (which has been associated with apoptosis) in thymic lymphocytes and to a lesser extent in spinal cord in the wst/wst mouse relative to controls; expression of Rp-2 and Tcl-30 mRNA (also reported to be induced during apoptosis) were not detectable in spleen or thymus. Expression of Rp-2, Rp-8, and Tcl-30 mRNA in other affected tissues of the wasted mouse (brain and liver) were similar in the wasted mouse and controls. Thymus and spleen from the wasted mouse have reduced numbers of viable cells relative to controls. Higher spontaneous DNA fragmentation was observed in lymphocytes from the wasted mouse than in controls; however, gamma-ray-induced DNA fragmentation peaked at a lower dose and occurred to a greater extent in lymphocytes derived from the wasted mouse relative to controls. These results suggest that high spontaneous and gamma-ray-induced apoptosis in T cells of the wasted mouse may contribute to the mechanism underlying the observed lymphocyte and DNA repair abnormalities.
Kristallchemische Analyse der Stereochemie des Kations und Anions in Bis(triphenylphosphin)iminium-di(phthalocyaninato)metallaten der Selenen Erden, (PNP)[Ln(Pc<sup>2-</sup>)<sub>2</sub>]•xH<sub>2</sub>O (Ln = La, Gd, Tm; x ≤ 0,5) / Crystalchemical analysis of the stereochemistry of the cations and anions in bis(triphenylphosphine)iminium di(phthalocyaninato)metalates of the rare earth elements, (PNP)[Ln(Pc<sup>2-</sup>)<sub>2</sub>]•xH<sub>2</sub>O (Ln = La, Gd, Tm; x ≤ 0,5) (1994)

Of the isostructural series of monoclinic (PNP)[Ln(Pc) 2 ]• xH 2 O compounds (Ln = La ••• Tm) the crystal structures of the complex salts of tervalent La (1), Gd (2) and Tm (3) have been determined by single crystal X-ray diffraction analysis. Unit cell data for 2: space group P2 1 /c; a = 15.172(8), b = 20.826(2), c = 25.876(3) Å, β = 95.19(3)°, V - 8143(4) Å 3 , Z = 4; 1 and 3 are isostructural with 2. The lanthanide ion occupies the center of a nearly ideal square antiprism, although the two staggered phthalocyanine rings are severely distorted in an unsymmetrical funnel-shaped fashion due to electronic, steric, and packing influences in the crystal lattice. Steric effects dictate also the geometry of the PNP cation, which adopts a hybrid conformation whose structural characteristics are between the common linear and bent conformers with medium short P-N distances (1.562 Å) and large P-N-P angles in the range 165.6° (1) &gt; 158.3° (2) &gt; 156.1° (3). The strong IR bands at ca. 1375 cm -1 assigned to the asym. (P-N) stretch are diagnostic for this hybrid conformation. The presence of water of crystallization in the periphery of the diphthalocyanine anion is confirmed. The shortest contact distance is observed to one of the bridging nitrogen atoms of the Pc 2- ligand (3.02 Å) indicating a weak (HO-H•••N) hydrogen bond
Metformin and phenformin deplete tricarboxylic acid cycle and glycolytic intermediates during cell transformation and NTPs in cancer stem cells (2014)

Metformin, a first-line diabetes drug linked to cancer prevention in retrospective clinical analyses, inhibits cellular transformation and selectively kills breast cancer stem cells (CSCs). Although a few metabolic effects of metformin and the related biguanide phenformin have been investigated in established cancer cell lines, the global metabolic impact of biguanides during the process of neoplastic transformation and in CSCs is unknown. Here, we use LC/MS/MS metabolomics (>200 metabolites) to assess metabolic changes induced by metformin and phenformin in an Src-inducible model of cellular transformation and in mammosphere-derived breast CSCs. Although phenformin is the more potent biguanide in both systems, the metabolic profiles of these drugs are remarkably similar, although not identical. During the process of cellular transformation, biguanide treatment prevents the boost in glycolytic intermediates at a specific stage of the pathway and coordinately decreases tricarboxylic acid (TCA) cycle intermediates. In contrast, in breast CSCs, biguanides have a modest effect on glycolytic and TCA cycle intermediates, but they strongly deplete nucleotide triphosphates and may impede nucleotide synthesis. These metabolic profiles are consistent with the idea that biguanides inhibit mitochondrial complex 1, but they indicate that their metabolic effects differ depending on the stage of cellular transformation.
Physiologic flow-conditioning limits vascular dysfunction in engineered human capillaries (2021)

Abstract Hemodynamics play a central role in the health and disease of the coronary and peripheral vascular systems. Vessel-lining endothelial cells are known mechanosensors, responding to disturbances in flow – with mechanosensitivity hypothesized to change in response to metabolic demands. The health of our smallest microvessels have been lauded as a prognostic marker for cardiovascular health. Yet, despite numerous animal models, studying these small vessels has proved difficult. Microfluidic technologies have allowed a number of 3D vascular models to be developed and used to investigate human vessels. Here, two such systems are employed for examining 1) interstitial flow effects on neo-vessel formation, and 2) the effects of flow-conditioning on vascular remodelling following sustained static culture. Interstitial flow is shown to enhance early vessel formation via significant remodeling of vessels and interconnected tight junctions of the endothelium. In formed vessels, continuous flow maintains a stable vascular diameter and causes significant remodeling, contrasting the continued anti-angiogenic decline of statically cultured vessels. This study is the first to couple complex 3D computational flow distributions and microvessel remodeling from microvessels grown on-chip (exposed to flow or no-flow conditions). Flow-conditioned vessels (WSS &lt; 1Pa for 30 micron vessels) increase endothelial barrier function, result in significant changes in gene expression and reduce reactive oxygen species and anti-angiogenic cytokines. Taken together, these results demonstrate microvessel mechanosensitivity to flow-conditioning, which limits deleterious vessel regression in vitro , and could have implications for future modeling of reperfusion/no-flow conditions.