gebhart/patrepeval huggingface dataset:
Chemical approach for evaluating role of the cysteine residues in pentameric phospholamban structure: Effect on sarcoplasmic reticulum Ca2+-ATPase (2006)

Calcium transport into the sarcoplasmic reticulum of cardiac muscle is catalyzed by the Ca pump and regulated by phospholamban (PLB), a 52-amino acid integral membrane peptide that inhibits the pump [1]. PLB is predominantly a homopentamer on electrophoresis gels (SDS-PAGE), with only a small fraction of monomer [2]. Specific residues that influence the pentameric structure of PLB are located in the hydrophobic transmembrane domain [3]. It has been previously suggested that the pentamer is stabilized by interhelical interactions between leucines (residues 37, 44, and 51) and isoleucines (residues 40 and 47), forming a leucine/isoleucine zipper [3]. The function of the three Cys residues (36, 41, and 46) within this domain is not known. It is assumed from Cys mutagenesis experiments that Cys residues are essential for stable pentamers [4], although they are not involved in disulfide bonding [2]. The function of the N-terminal acetyl group (Fig. 1) is also not known, although its removal results in a greater positive charge on the cytoplasmic domain of the peptide under normal biological conditions. We have designed and synthesized a PLB derivative containing no cysteines, and a PLB derivative lacking an N-terminal acetyl cap, to evaluate the contribution of the transmembrane Cys and the N-terminal acetyl group in the function and pentameric structure of PLB, respectively.
A CFD Approach for Predicting 3D Ice Accretion on Aircraft (2011)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;In this work, a newly developed iced-aircraft modeling tool is applied to wings, engine inlets, and helicopter rotors. The tool is based on a multiscale-physics, unstructured finite-volume CFD approach and is applicable to general purpose aircraft icing applications. The present approach combines an Eulerian-based droplet-trajectory solver that is loosely coupled, in a time-accurate manner, to a surface-film and ice-evolution model. The goal of the model is to improve the fidelity of ice accretion modeling on dynamic geometries and for three-dimensional ice shapes typical of helicopter rotors. The numerical formulation is discussed and presented alongside 2D and 3D static validation cases, and dynamic helicopter rotors. The present results display good validation for predicting ice shape on a variety of geometries, and a strong initial capability of modeling ice forming on helicopters in forward flight.&lt;/div&gt;&lt;/div&gt;
Structural and Photoluminescence Properties of Ce 3+ ‐ and Tb 3+ ‐Activated Lu‐α‐Sialon (2009)

The crystal structure and photoluminescence properties of undoped and Ce 3+ ‐ or Tb 3+ ‐doped Lu‐α‐Sialon are reported. Lu‐α‐Sialon with the composition of Lu 0.367 Si 9.9 Al 2.1 ON 15 crystallizes in a trigonal system with a =7.8013(1) Å, c =5.6827(1) Å, in the space group P 31 c . The Lu 3+ ion is accommodated at the interstice site at 2 b and directly connected by seven (N, O) atoms with an average bond length of 2.624 Å. The incorporation of large Ce 3+ and Tb 3+ ions on small Lu 3+ site results in the expansion of the unit cell as expected but keeping the average Lu Ln ‐(N, O) (Ln=Ce, Tb) distances nearly constant with slight distortion in the lattices. The optical band gap of Lu‐α‐Sialon is about 5.25 eV determined by the diffused reflection spectrum. Lu‐α‐Sialon:Ce 3+ (2 mol%) exhibits efficiently greenish‐blue emission at about 486 nm under near‐ultraviolet (UV) excitation originating from the 5 d →4 f 1 5 d 0 transition of Ce 3+ . Lu‐α‐Sialon:Ce 3+ is a potential candidate phosphor for white UV‐LED applications due to its high quantum efficiency and excellent thermal stability. Lu‐α‐Sialon:Tb 3+ (2 mol%) emits strong mixed blue and green light in equivalent due to the transitions of 5 D 3 → 7 F J and 5 D 4 → 7 F J of Tb 3+ .
<title>Sine wave measurements of SPRITE detector MTF</title> (1991)

A method is presented for measuring the modulation transfer function of SPRITE detectors with a HgCdTe composition optimized for the 3-5 micron band. This method incorporates a 3.39-micron HeNe laser to generate Young's fringes of varying spatial frequency, which are scanned across the detector elements. The results are consistent with theoretical models for these devices and indicate a limited resolution capability for SPRITEs used for the 3-5 micron band.
Relationships among Seebeck Coefficient, Oxygen Content and Superconductivity of Bi-Sr-Ca-Cuprates (1995)

The correlations among Seebeck coefficient, oxygen content and superconducting property were examined for four Bi-Sr-Ca-Cu-O systems, i.e., a 2223-phase oxide, Big1.84Pb0.34Sr1.91Ca2.03Cu3.06O10.1-z, and three 2212-isostructural oxides, Bi2Sr2-xCa1+xCu2Oy (x=0, 0.5 and 1.0). Temperature-Programmed-Desorption (TPD) as well as Temperature-Programmed-Oxidation (TPO) measurements revealed that small amounts of oxygen (2-3×10-5mol/g) were sorbed and desorbed reversibly for all oxides examined in the temperature ranges of ca. 100-400°C and ca. 250-600°C, respectively. In good agreement with such sorption-desorption behavior, the Seebeck coefficient (Q) of each oxide was found to change reversibly with changing temperature in the range of 100-600°C. This means that Q is a reversible function of oxygen content for each oxide. For the 2212-oxides, Q values at 100°C were in the range of ca. -10-+10μV/K and increased to the positive direction almost linearly with decreasing oxygen content, though the increments were somewhat different depending on composition. This indicates that oxygen content is directly related with the carrier concentration of each sample. Interestingly, Tc of each 2212-oxide was observed to go through a maximum with oxygen content. It was found that the highest Tc was reached at the oxygen content at which Q was brought to around zero at 100°C for each oxide. These results suggest that there exists an optimum carrier concentration giving the highest Tc in common for the three 2212-oxides tested.
Electron Transport Carriers Involved in Nitrogen Fixation by the Coliform, Klebsiella pneumoniae (1974)

Summary: In cell-free extracts, pyruvate, formate, malate and NADPH provided reducing equivalents to the nitrogenase of the nitrogen-fixing colform, Klebsiella pnemoniae. Two electron carriers were isolated from extracts, both capable of mediating the transfer of reducing power between illuminated spinach chloroplasts and the nitrogenases of Klebsiella or Azotobacter vinelandii. One electron carrier was a flavoprotein, named Klebsiella flavodoxin (molecular weight about 21000); the second was not characterized. A similarity is suggested between Klebsiella and Escherichia coli in the generation and transport of low-potential reducing power from pyruvate.
Vertical Structure of Ocean Surface Currents Under High Winds from Massive Arrays of Drifters (2019)

Abstract. Very near surface ocean currents are dominated by wind and wave forcing and have large impacts on the transport of buoyant materials in the ocean, but have proved difficult to measure with many modern instrumentations. Here, observations of ocean currents at two depths within the first meter of the surface are made utilizing trajectory data from both drogued and undrogued CARTHE drifters, which have draft depths of 60 cm and 5 cm, respectively. Trajectory data of dense, co-located drogued and undrogued drifters, were collected during the LAgrangian Submesoscale ExpeRiment (LASER) that took place from January to March of 2016 in the Northern Gulf of Mexico. Examination of the drifter velocities reveals that the surface currents become strongly wind- and wave-driven during periods of high wind, with the pre-existing regional circulation having a smaller, but non-negligible, influence on the total surface velocity. During these high wind events, we deconstruct the full surface current velocities captured by each drifter type into their wind- and wave-driven components after subtracting an estimate for the regional circulation which pre-exists each wind event. In order to capture the regional circulation in the absence of strong wind and wave forcing, a Lagrangian variational method is used to create hourly velocity fields for both drifter types separately, during the hours preceding each high wind event. Synoptic wind and wave output data from the Unified Wave INterface–Coupled Model (UWIN–CM), a fully coupled atmosphere, wave and ocean circulation model, are used for analysis. The wind-driven component of the surface current exhibits a rotation to the right with depth between the two surface layers measured. We find that the averaged wind-driven surface current from 0–5 cm (0–60 cm) travels at ~ 3.4–6.0 % (~ 2.3–4.1 %) of the wind speed, and is deflected ~ 5°–55° (~ 30–85°) to the right of the wind, reaching higher deflection angles at higher wind speeds. Results provide new insight to the vertical shear present in wind-driven surface currents under high winds, which have vital implications for any surface transport problem.
Data from Evasion of Innate Immunity Contributes to Small Cell Lung Cancer Progression and Metastasis (2023)

&lt;div&gt;Abstract&lt;p&gt;Small cell lung cancer (SCLC) is a pulmonary neuroendocrine cancer with very poor prognosis and limited effective therapeutic options. Most patients are diagnosed at advanced stages, and the exact reason for the aggressive and metastatic phenotype of SCLC is completely unknown. Despite a high tumor mutational burden, responses to immune checkpoint blockade are minimal in patients with SCLC. This may reflect defects in immune surveillance. Here we illustrate that evading natural killer (NK) surveillance contributes to SCLC aggressiveness and metastasis, primarily through loss of NK-cell recognition of these tumors by reduction of NK-activating ligands (NKG2DL). SCLC primary tumors expressed very low level of NKG2DL mRNA and SCLC lines express little to no surface NKG2DL at the protein level. Chromatin immunoprecipitation sequencing showed NKG2DL loci in SCLC are inaccessible compared with NSCLC, with few H3K27Ac signals. Restoring NKG2DL in preclinical models suppressed tumor growth and metastasis in an NK cell–dependent manner. Likewise, histone deacetylase inhibitor treatment induced NKG2DL expression and led to tumor suppression by inducing infiltration and activation of NK and T cells. Among all the common tumor types, SCLC and neuroblastoma were the lowest NKG2DL-expressing tumors, highlighting a lineage dependency of this phenotype. In conclusion, these data show that epigenetic silencing of NKG2DL results in a lack of stimulatory signals to engage and activate NK cells, highlighting the underlying immune avoidance of SCLC and neuroblastoma.&lt;/p&gt;Significance:&lt;p&gt;This study discovers in SCLC and neuroblastoma impairment of an inherent mechanism of recognition of tumor cells by innate immunity and proposes that this mechanism can be reactivated to promote immune surveillance.&lt;/p&gt;&lt;/div&gt;
ChemInform Abstract: Carbon‐Carbon Bond Formation Under Aqueous Reaction Conditions Using Sulfonium and Selenonium Salt Electrophiles. (1990)

Abstract The 1,3‐dicarbonyl compounds (I), (IV), and (VI) are methylated at the activated position using the dibenzothiophenium salt (IIa) or its selenonium analogue (IIb).
The Experience of Emotional Labor and Its Related Factors among Nurses in General Hospital Settings in Republic of Korea: A Systematic Review and Meta-Analysis (2021)

This systematic review and meta-analysis aimed to investigate the status of emotional labor and its related factors among nurses in general hospital settings in Korea. A total of seven electronic databases were comprehensively searched to find relevant cross-sectional studies published up to 28 January 2021. The meta-analysis was performed using Stata version 13.1. In total, 131 studies were included. The population showed a standardized mean difference of 3.38 (95% confidence interval, 3.34 to 3.42) in emotional labor assessed by a 1–5 Likert scale. The level of emotional labor had significant negative correlations with job satisfaction, social support, organizational engagement, coworker support, resilience, and nurses’ work environment, while it had significant positive correlations with emotional labor and burnout, turnover intention, and job stress. Although the methodological quality of the included studies was generally good, 24 of the included studies (18.32%) were evaluated as lacking generalization potential or otherwise as unclear. In conclusion, nurses in general hospital settings in Korea experience mild-to-moderate levels of emotional labor. There is some evidence that the emotional labor of nurses and its detrimental effects can be buffered at both the individual and hospital levels, and future research should focus on developing targeted interventions and evaluating their effectiveness.
Gold Catalysis Meets Materials Science – A New Approach to π‐Extended Indolocarbazoles (2020)

Abstract Herein we describe a modular, convergent synthesis of substituted benzo[ a ]benzo[6,7]‐indolo[2,3‐ h ]carbazoles (BBICZs) using a bidirectional gold‐catalyzed cyclization reaction as a key step. A building block strategy enabled the easy variation of substituents at different positions of the core structure and a general analysis of substitution effects on the materials properties of the target compounds. All BBICZs were fully characterized and their optical and electronic properties were studied experimentally as well as by computational methods. Organic thin‐film transistors based on eight selected derivatives were fabricated by vacuum deposition and charge‐carrier mobilities up to 1 cm 2 /Vs were measured. magnified image
Parameters of Goppa codes revisited (1997)

We discuss parameters of Goppa (1970) codes, such as minimum distance, covering radius, distance distribution, and generalized Hamming weights. By a variation on the exponential sums method and combinatorial arguments, we sharpen known bounds on these parameters.
Rehabilitation After Total Knee Arthroplasty (1996)

This study was conducted to compare postoperative total knee arthroplasty rehabilitation protocols. The hypothesis of this study was that patients undergoing total knee arthroplasty could achieve range of motion and hospital discharge in the same period using a postoperative rehabilitation protocol that did not use a continuous passive motion machine. This randomized prospective study compared 46 total knee arthroplasties in which a continuous passive motion machine was used with 37 total knees that were rehabilitated with early passive flexion of the knee (named drop and dangle protocol). Postoperative physical therapy regimens were otherwise the same for both groups. Surgical technique was the same for both groups except for closure which was performed in the drop and dangle group with the knee at 90 degrees to 95 degrees flexion. Only patients with osteoarthritis were included in the study, and in both groups of patients received the same prosthetic components. Patients in the drop and dangle group were discharged from the hospital 1 day earlier (p = 0.01) and had a statistically better extension range of 2.8 degrees at 6 months (p = 0.03). Knees in the drop and dangle group had less drainage (p = 0.06). Range of motion and hospital discharge can be achieved in a similar time interval with the drop and dangle technique as with using a continuous passive motion device, and that such a device is not required for postoperative knee rehabilitation.
ChemInform Abstract: Discovery of Potent, Nonsteroidal, and Highly Selective Glucocorticoid Receptor Antagonists. (2002)

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.
Structural optimization of 4-(imidazol-5-yl)pyridine derivatives affords broad-spectrum anticancer agents with selective B-RAFV600E/p38α kinase inhibitory activity: Synthesis, in vitro assays and in silico study (2022)

In the current article, we introduce design of a new series of 4-(imidazol-5-yl)pyridines with improved anticancer activity and selective B-RAF<sup>V600E</sup>/p38α kinase inhibitory activity. Based on a previous work, a group of structural modifications were applied affording the new potential antiproliferative agents. Towards extensive biological assessment of the target compounds, an in vitro anticancer assay was conducted over NCI 60-cancer cell lines panel representing blood, lung, colon, CNS, skin, ovary, renal, prostate, and breast cancers. Compounds 7c, 7d, 8b, 9b, 9c, 10c, 10d, and 11b exhibited the highest potency among the tested compounds and demonstrated sub-micromolar or one-digit micromolar GI<sub>50</sub> values against the majority of the employed cell lines. Compound 10c emerged as the most potent agent with nano-molar activity over most of the cells and incredible activity against melanoma (MDA-MB-435) cell line (GI<sub>50</sub> 70 nM). It is much more potent than sorafenib, the clinically used anticancer drug, against almost all the NCI-60 cell lines. Further cell-based mechanistic assays showed that compound 10c induced cell cycle arrest and promoted apoptosis in K562, MCF-7 and HT29 cancer cell lines. In addition, compound 10c induced autophagy in the three cancer cell lines. Kinase profiling of 10c showed its inhibitory effects and selectivity towards B-RAF<sup>V600E</sup> and p38α kinases with IC<sub>50</sub> values of 1.84 and 0.726 µM, respectively. Docking of compound 10c disclosed its high affinity in the kinases pockets. Compound 10c represent a promising anticancer agent, that could be optimized in order to improve its kinase activity aiming at developing potential anticancer agents. The conformational stability of compound 10c in the active site of B-RAF<sup>V600E</sup> and p38α kinases was studied by applying molecular dynamic simulation of the compound in the two kinases for 600 ns in comparison to the native ligands.
Complications in Spinal Fusion for Adolescent Idiopathic Scoliosis in the New Millennium. A Report of the Scoliosis Research Society Morbidity and Mortality Committee (2006)

This study shows that complication rates are similar for anterior versus posterior approaches to AIS deformity correction. Combined anterior and posterior instrumentation and fusion has double the complication rate of either anterior or posterior instrumentation and fusion alone. Combined anterior and posterior instrumentation and fusion also has a significantly higher rate of neurologic complications than anterior or posterior instrumentation and fusion alone.
Improper Light Curing of Bulkfill Composite Drives Surface Changes and Increases S. mutans Biofilm Growth as a Pathway for Higher Risk of Recurrent Caries around Restorations (2021)

How dentists cure a resin-based material has deleterious effects on the material's properties and its interaction with surrounding dental tissues. Biofilm accumulation has been implicated in the pathogenesis of carious lesions around dental restorations, with its composition manifesting expressed dysbiosis in patients suffering from dental caries. To evaluate the influence of varying radiant exposure on the degree of conversion (DC%), <i>Streptococcus mutans</i> biofilm growth, and surface roughness of bulk-fill composites under different light-curing conditions. Two light-curing units (LCU) at 600 and 1000 mW/cm<sup>2</sup> were used to simulate curing conditions with different angulations (∢20° and ∢35°) or 2 mm-distance displacements of the LCU tip. The radiant exposure (RE) was assessed, and the composites were analyzed for DC%. Biofilm formation was induced over the bulk-fill composites and analyzed via colony-forming units counting and scanning electron microscopy (SEM). The surface roughness was analyzed via a profilometer and SEM after biofilm formation. Curing conditions with different angulation or displacement decreased RE compared to the "optimal condition". The moderately (∢35°) angulated LCU tip and low (600 mW/cm<sup>2</sup>) radiant emittance significantly reduced the DC% (<i>p</i> < 0.05). The difference in DC% between the top and bottom of the composites ranged from 8 to 11% for 600 mW/cm<sup>2</sup> and 10 to 20% for 1000 mW/cm<sup>2</sup>. Greater <i>S. mutans</i> biofilm and surface changes were found in composites with non-optimal RE delivery (e.g., tip displacement and angulation) (<i>p</i> < 0.05). Inadequate polymerization of bulk-fill composites was associated with more biofilm accumulation and surface topography changes. Overall, non-optimally performed curing procedures reduced the amount of delivered RE, which led to low DC%, more biofilm formation, and higher surface roughness. The improper light-curing of bulk-fill composites compromises their physicochemical and biological properties, which could lead to inferior clinical performance and reduced restorative treatments' longevity.
Further studies on the glycosylated gag gene products of Rauscher murine leukemia virus: identification of an N-terminal 45,000-dalton cleavage product (1983)

A glycosylated 45,000-Mr protein containing Rauscher murine leukemia virus p15 and p12 antigenic sites and tryptic peptides was identified in Rauscher murine leukemia virus-infected cells. This glycoprotein, termed gP45gag, was also shown to contain a single tryptic peptide also present in gPr80gag and its unglycosylated apoprotein precursor Pr75gag, but lacking in Pr65gag or Pr40gag. The presence of this peptide only in viral precursor proteins containing the so-called leader (L) sequence strongly suggests that gPr45gag is an N-terminal fragment of larger glycosylated gag polyproteins, composed of L sequences in addition to p15 and p12. The kinetics of appearance of radiolabeled gPr45gag and its disappearance during chase-incubation is suggestive of a precursor-like role for this intermediate gene product. An observed 27,000-Mr glycosylated polypeptide, termed gP27gag and containing p15 but not p12, p30, or p10 antigenic determinants, is a candidate cleavage product derived from gPr45gag. These observations suggest that gPr45gag and its putative cleavage product gP27gag represent an authentic pathway for intracellular processing of glycosylated core proteins.