gebhart/patrepeval huggingface dataset:
Cu(I) and Ru(II) complexes with elemental phosphorus as ligand: Synthesis and properties (2006)

New complexes of Cu(I) and Ru(II) with elemental (white) phosphorus (P4), [Cu(C5H-i-Pr4)(η2-P4)], [Cu(C5H-i-Pr4)(μ,η2:1-P4)Cu(C5H-i-Pr4)], and [Ru(C5Me5)(PCy3)(η2-P4)Cl], are synthesized with tetraphosphorus molecule as bidentate η2-ligand. The complexes are obtained by reacting elemental phosphorus with the Cu carbonyl(tetraisopropylcyclopentadienyl) complex [Cu(C5H-i-Pr4)(CO)] or with Ru(II) (pentamethylcyclopentadienyl)(tricyclohexylphosphine) chloride, [Ru(C5Me5)(PCy3)Cl]. The structures and compositions of the obtained complexes are studied by 1H, 31P NMR method and elemental analysis. The P4 molecule is connected to Cu(I) and Ru(II) fragments through the P-P edge due to a side coordination.
High-dose Nitric Oxide Inhalation Increases Lung Injury after Gastric Aspiration  (1999)

These results show that inhaled nitric oxide at 80 ppm for a short duration (5 h) increases the severity of the inflammatory microvascular lung injury after acid aspiration. The pulmonary damage is exacerbated further in the presence of high oxygen concentrations. Although lower concentrations of nitric oxide did not increase the extent of lung injury, longer exposure times need to be assessed.
Supervised Risk Predictor of Breast Cancer Based on Intrinsic Subtypes (2020)

To improve on current standards for breast cancer prognosis and prediction of chemotherapy benefit by developing a risk model that incorporates the gene expression–based “intrinsic” subtypes luminal A, luminal B, HER2-enriched, and basal-like.
β‐Cyclodextrin Dodecahydrate: Crowding of Water Molecules within a Hydrophobic Cavity (1978)

“Empty” cyclodextrins contain water in their annular cavities; the hydrate form of β‐cyclodextrin (cycloheptaamylose, β‐CD) has now been subjected to an X‐ray study. β‐CD·12H 2 O assumes an almost “round” shape. No far‐reaching changes of conformation take place on complex formation with guest molecules.
Poly(oxatetramethylene) glycol. II. Molecular weight distribution (1965)

Abstract Polymer of 1200 molecular weight was prepared from tetrahydrofuran by using a catalyst mixture of ethylene oxide, BF 3 , and water. Fractionation was accomplished by washing a cyclohexane‐toluene solution with mixtures of methanol and water. Results, plotted on Poisson probability paper, showed that the distribution is somewhat broader than the Poisson.
<i>LAT1</i> gene variants—potential factors influencing the clinical course of phenylketonuria (2006)

The LAT1 amino acid exchanger is responsible for phenylalanine transport across the blood-brain barrier. As phenylalanine excess in the brain leads to mental retardation in untreated patients with phenylketonuria, mutations of the LAT1 gene can be responsible for milder clinical manifestations (lower brain toxicity of hyperphenylalaninaemia) observed in some patients. The aim of this study was to screen for LAT1 gene mutations in phenylketonuric patients. Within the coding sequence of the gene, three polymorphism and one new mutation (G41D) were detected. The protein sequence change due to the mutation described could influence the clinical course of phenylketonuria.
Emotionality ratings and free-association norms of 240 emotional and non-emotional words (1988)

Abstract The norms which follow are a collection of free association norms to four categories of emotional words (happiness, sadness, anxiety, and anger) and a corresponding set of non-emotional words, matched for frequency of occurrence and for word length. The norms are accompanied by ratings of emotional content, and presented in decreasing order of emotionality. They were collected from a total of 300 Reading University undergraduates over a period of three weeks in 1985.
Automated Spectral Characterization of Wheezing in Asthmatic Children (1985)

Breath sounds were recorded in normal and asthmatic children over the chest and trachea. The power spectra of the sounds were analyzed for peaks of high amplitude and high frequency as indications of wheezing. The percent of inspiration and expiration spent wheezing was used as an indication of the severity of bronchial obstruction. Wheezing was found to be strongly dependent upon air flow, and generally followed the changes in pulmonary function as indicated by the forced expiratory volume at 1 s (FEV1). The trachea was found to be a better location for analyzing wheezes than the lung.
Effect of weak bases on the intralysosomal pH in mouse peritoneal macrophages. (1981)

The spectral characteristics of dextran, labeled with fluorescein, depend upon pH. We have loaded the lysosomes of mouse peritoneal macrophages with this fluorescence probe and used it to measure the intralysosomal pH under various conditions. The pH of the medium has no effect on the intralysosomal pH. Weakly basic substances in the medium cause a concentration-dependent increase in the intralysosomal pH. However, the concentration of base necessary to produce a significant change in the intralysosomal pH varies over a wide range for different bases. The active form of the base is the neutral, unprotonated form. Although most of these weak bases cause an increase in the volume of the lysosomes, increase in lysosomal volume itself causes only a minor perturbation of the intralysosomal pH. This was demonstrated in cells whose lysosomes were loaded with sucrose, and in cells vacuolated as a demonstrated in cells whose lysosomes were loaded with sucrose, and in cells vacuolated as a consequence of exposure to concanavalin A. The results of these studies are interpreted in terms of energy-dependent lysosomal acidification and leakage of protons out of the lysosomes in the form of protonated weak bases.
Role of Asp274 in lac Repressor: Diminished Sugar Binding and Altered Conformational Effects in Mutants (1995)

The role of Asp274 in inducer binding of lac repressor has been explored by spectroscopic measurements, fluorescence quenching, in vitro induction assays, and chemical modification of mutants with conservative substitutions at this site. Although no fluorescence emission shift or characteristic UV difference spectrum was observed at high inducer concentration, fluorescence quenching, effects on operator binding, and chemical modification results indicate indirectly that the mutants Asp274-->Asn and Asp274-->Glu bind sugar, albeit with very low affinity (> 0.1 M). Consistent with very weak inducer binding indicated by protection from fluorescence quenching by iodide, operator binding activity of these two mutant proteins is altered at very high IPTG concentration, although in opposite directions. The distinct effects of inducer on operator binding in these two mutant proteins as well as substantial differences in the effect of sugar ligand on chemical modification of Cys107 and Cys140 by 2-(bromoacetamido)-4-nitrophenol suggest that the conformation of the protein before and after association with sugar may differ in these mutant proteins. Fluorescence quenching assays of lac mutant proteins at Asp274 indicate the proximity of Trp220 to the side chain at position 274, consistent with the location of this residue in the structural model of lac repressor and in the crystallographic structure of the homologous purine repressor. From these results, we conclude that Asp274 is in the inducer binding site, that the character of this residue is crucial to inducer binding, and that interaction of sugar with the side chain at this position may be associated with the conformational change necessary for generating high affinity ligand binding.
CONGENITAL MALFORMATIONS OF THE CARDIOVASCULAR SYSTEM IN A SERIES OF 6,053 INFANTS (1955)

The incidence of cardiovascular malformations has been studied in a large series of unselected infants. The overall rate was 0.83 per cent, and it varied from 7.7 per cent in infants who were either stillborn or died within the first month (16 of 209), to 0.6 per cent in infants who survived for more than 1 month (see Table I). The accuracy of these incidence rates is discussed, and it is concluded that they are probably somewhat low. Live-born infants weighing less than 2500 gm. at birth who survived for a month or more have a higher incidence of cardiovascular malformations than do those weighing more than 2500 gm. at birth. This difference is of statistical significance. A careful evaluation of etiologic factors in this group of 50 cases revealed the following: a) Maternal age and parity are of some importance as predisposing factors in the causation of cardiovascular malformations. The risk of having an infant with a congenital malformation of the heart or great vessels is greater in the third pregnancy than in the first, especially in women over 30. b) No association between maternal infections early in pregnancy and the occurrence of cardiovascular malformations in the offspring was noted, except for a suggestive bit of evidence that herpes simplex in the first 3 months may be related to the tetrad of Fallot. However, the number of cases of first trimester maternal herpes in this group of 50 cases was not significantly greater than in the entire population, and in all probability the observed association is coincidental. c) Obstetric and medical complications failed to show any correlation with the incidence of vascular anomalies. d) Genetic factors could not be satisfactorily evaluated. The types of malformations encountered are listed, and the methods of diagnosis are discussed. Twenty-three of the fifty cases are still not completely diagnosed, and of these, 20 are alive, and are still under observation. The development of the symptoms in the tetrad of Fallot and in patent ductus arteriosus is discussed. A rather marked difference in maternal age and parity in the two conditions is apparent, but unexplained. Routine RG of the chest in newborn infants was considerably less valuable than clinical evidence in the diagnosis of congenital heart disease. The mortality rates for the group of 50 cases are discussed. Twenty-seven of the fifty patients survived more than 2 years. Associated malformations, involving systems other than the cardiovascular system, occurred in 18 of the 50 cases (36 per cent), and organs derived from the embryonic ectoderm were most frequently affected. Mongolism (4), and cleft palate, cataract, diaphragmatic hernia (3 each) were the most frequently noted anomalies, and the association was thought to be of definite significance in the case of mongolism, and in fatal cases of diaphragmatic hernia.
Chronic obstructive pulmonary disease and glucose metabolism: a bitter sweet symphony (2012)

Chronic obstructive pulmonary disease, metabolic syndrome and diabetes mellitus are common and underdiagnosed medical conditions. It was predicted that chronic obstructive pulmonary disease will be the third leading cause of death worldwide by 2020. The healthcare burden of this disease is even greater if we consider the significant impact of chronic obstructive pulmonary disease on the cardiovascular morbidity and mortality. Chronic obstructive pulmonary disease may be considered as a novel risk factor for new onset type 2 diabetes mellitus via multiple pathophysiological alterations such as: inflammation and oxidative stress, insulin resistance, weight gain and alterations in metabolism of adipokines. On the other hand, diabetes may act as an independent factor, negatively affecting pulmonary structure and function. Diabetes is associated with an increased risk of pulmonary infections, disease exacerbations and worsened COPD outcomes. On the top of that, coexistent OSA may increase the risk for type 2 DM in some individuals. The current scientific data necessitate a greater outlook on chronic obstructive pulmonary disease and chronic obstructive pulmonary disease may be viewed as a risk factor for the new onset type 2 diabetes mellitus. Conversely, both types of diabetes mellitus should be viewed as strong contributing factors for the development of obstructive lung disease. Such approach can potentially improve the outcomes and medical control for both conditions, and, thus, decrease the healthcare burden of these major medical problems.
A combination of techniques to evaluate photodynamic efficiency of photosensitizers (2008)

Photodynamic therapy, used mainly for cancer treatment and microorganisms inaction, is based on production of reactive oxygen species by light irradiation of a sensitizer. Hematoporphyrin derivatives as Photofrin (R) (PF) Photogem (R) (PG) and Photosan (R) (PF), and chlorin-c6-derivatives as Photodithazine (R)(PZ), have suitable sensitizing properties. The present study provides a way to make a fast previous evaluation of photosensitizers efficacy by a combination of techniques: a) use of brovine serum albumin and uric acid as chemical dosimeters; b) photo-hemolysis of red blood cells used as a cell membrane interaction model, and c) octanol/phosphate buffer partition to assess the relative lipophilicity of the compounds. The results suggest the photodynamic efficient rankings PZ > PG >= PF > PS. These results agree with the cytotoxicity of the photosensitizers as well as to chromatographic separation of the HpDs, both performed in our group, showing that the more lipophilic is the dye, the more acute is the damage to the RBC membrane and the oxidation of indol, which is immersed in the hydrophobic region of albumin.
Tandem fluorescence imaging of dynamic <i>S</i> -acylation and protein turnover (2010)

The functional significance and regulation of reversible S-acylation on diverse proteins remain unclear because of limited methods for efficient quantitative analysis of palmitate turnover. Here, we describe a tandem labeling and detection method to simultaneously monitor dynamic S-palmitoylation and protein turnover. By combining S-acylation and cotranslational fatty acid chemical reporters with orthogonal clickable fluorophores, dual pulse-chase analysis of Lck revealed accelerated palmitate cycling upon T-cell activation. Subsequent pharmacological perturbation of Lck palmitate turnover suggests yet uncharacterized serine hydrolases contribute to dynamic S-acylation in cells. In addition to dually fatty-acylated proteins, this tandem fluorescence imaging method can be generalized to other S-acylated proteins using azidohomoalanine as a methonine surrogate. The sensitivity and efficiency of this approach should facilitate the functional characterization of cellular factors and drugs that modulate protein S-acylation. Furthermore, diverse protein modifications could be analyzed with this tandem imaging method using other chemical reporters to investigate dynamic regulation of protein function.
Microbiological Decomposition of Atrazine and Diuron in Soil (1966)

The relationship of atrazine (2-chloro-4-ethylamino-6-iso- propylamino-s-triazine) and diuron (3-(3,4-dichlorophenyl)-l,l-di- methylurea) decomposition to microbial activity in two soils was de- termined. Microbial responses to temperature, added energy materi- al, and time were measured by evolution of CO2 from herbicide- treated soil samples. Evaluation of herbicide decomposition was made by bioassay and radioassay. Herbicide inactivation was directly re- lated to metabolism of soil organic carbon. Larger amounts of herbi- cide were inactivated per unit of soil carbon metabolized in Norfolk loamy sand than in Decatur clay loam. This was associated with less soil specific surface and consequently greater concentration of herbi- cide on soil particle surfaces in Norfolk compared to Decatur soil. Addition of microbial energy sources accelerated decomposition of atrazine and diuron in both soils. Herbicide decomposition was closely associated with repeated additions of energy material, indicating an incidental or nonpreferential involvement in micro- bial metabolism. Decomposition of atrazine doubled with each 10-degree rise in temperature from 10 to 30 C, paralleling the response of soil organic matter decomposition. Diuron decompo- sition approximately tripled with each 10-degree rise in tempera- ture.
Wifi-Reports: Improving Wireless Network Selection with Collaboration (2010)

Wi-Fi clients can obtain much better performance at some commercial hot spots than others. Unfortunately, there is currently no way for users to determine which hot spot access points (APs) will be sufficient to run their applications before purchasing access. To address this problem, this paper presents Wifi-Reports, a collaborative service that provides Wi-Fi clients with historical information about AP performance and application support. The key research challenge in Wifi-Reports is to obtain accurate user-submitted reports. This is challenging because two conflicting goals must be addressed in a practical system: preserving the privacy of users' reports and limiting fraudulent reports. We introduce a practical cryptographic protocol that achieves both goals, and address the important engineering challenges in building Wifi-Reports. Using a measurement study of APs in a busy commercial district, we show that Wifi-Reports would improve the performance over previous AP selection approaches in 30-60 percent of locations.
Homology Model of Human Retinoic Acid Metabolising Enzyme Cytochrome P450 26A1 (CYP26A1): Active Site Architecture and Ligand Binding (2006)

Homology models of cytochrome P450 RA1 (CYP26A1) were constructed using three human P450 structures, CYP2C8, CYP2C9 and CYP3A4 as templates for the model building. Using MOE software the lowest energy CYP26A1 model was then assessed for stereochemical quality and side chain environment. Further active site optimisation of the CYP26A1 model built using the CYP3A4 template was performed by molecular dynamics to generate a final CYP26A1 model. The natural substrate, all-trans-retinoic acid (atRA), and inhibitor R 15866, were docked into the model allowing further validation of the active site architecture. Using the docking studies structurally and functionally important residues were identified with subsequent characterisation of secondary structure. Multiple hydrophobic interactions, including the side chains of TRP112, PHE299, PHE222, PHE84, PHE374 and PRO371, are important for binding of atRA and R115866. Additional hydrogen bonding interactions were noted as follows: atRA-- C==O of the atRA carboxylate group and ARG86; R115866--benzothiazole nitrogen and the backbone NH of SER115.
Classification of Hepatic Lesions using the Matching Metric (2012)

In this paper we present a methodology of classifying hepatic (liver) lesions using multidimensional persistent homology, the matching metric (also called the bottleneck distance), and a support vector machine. We present our classification results on a dataset of 132 lesions that have been outlined and annotated by radiologists. We find that topological features are useful in the classification of hepatic lesions. We also find that two-dimensional persistent homology outperforms one-dimensional persistent homology in this application.
Dissecting the role of the 3-phosphoinositide-dependent protein kinase-1 (PDK1) signalling pathways (2008)

The 3-phosphoinositide-dependent protein kinase-1 (PDK1) mediates the cellular effect of insulin and growth factors by activating a group of kinases including PKB/Akt, S6K, RSK, SGK and PKC isoforms. PDK1 possesses two regulatory domains namely a Pleckstrin Homology (PH) domain that binds to the phosphatidylinositol 3,4,5-trisphosphate [PtdIns(3,4,5)P(3)] second messenger, and a substrate binding site termed the PIF-pocket. Employing a combination of biochemical, structural and mouse knock-in approaches we have been able to define the roles that the regulatory domains on PDK1 play. We have established that binding of PDK1 to PtdIns(3,4,5)P(3) is essential for efficient activation of PKB isoforms as well as for maintaining normal cell size and insulin sensitivity. In contrast, the PIF-substrate binding pocket of PDK1 is not required for PKB activation, but is necessary for PDK1 to activate all of its other substrates.
The early recognition of right ventricular infarction: diagnostic accuracy of the electrocardiographic V4R lead. (1983)

The sensitivity and specificity of ST-segment elevation in the right precordial lead V4R as an early indicator of right ventricular infarction were examined in a consecutive series of 110 patients admitted for acute inferior myocardial infarction. The sensitivity was 82.7%, the specificity 76.9% and the positive predictive value 70% in 58 patients with right ventricular infarction documented by autopsy or a combination of radionuclide ventriculography and one or more of the following tests: echocardiography, technetium-99m pyrophosphate scintigraphy and hemodynamic monitoring. The negative predictive value was 87.7%. Because of its simplicity and its high sensitivity and specificity, recording of V4R should be an intrinsic part of the early evaluation and electrocardiographic examination of acute inferior wall infarction.
Numerical solutions for a coupled parabolic equations arising induction heating processes (2007)

In this paper we study the numerical solution for a coupled parabolic equations. The system is derived from an induction heating process. An
implicit finite-difference scheme for a coupled parabolic system is proposed and
analyzed. Some numerical experiments are performed. We found that the numerical solutions do match the theoretical results obtained from the previous
study. Moreover, some numerical results show new phenomenon which has not
been proved up to now.
Magnetic Properties of an Icosahedral Phase of Ga–Mg–Zn Alloy (1993)

Magnetic properties of two kinds of Ga–Mg–Zn alloy samples were studied. One is Ga 20 Mg 40 Zn 40 icosahedral phase which was thermally stable below about 615 K, the other is Ga 18.5 Mg 41.5 Zn 40 alloy which exhibited amorphous-like X-ray diffraction pattern with no sharp peaks. The icosahedral phase showed a linear relationship between the magnetic susceptibility and the square of temperature. The improvement of the specimen quality resulting from heat treatment made the temperature dependence enhanced and the paramagnetism reduced. The amorphous-like sample did not show the temperature dependence of the magnetic susceptibility. These facts afford the experimental evidence that, in terms of Pauli paramagnetism, the electronic density of states at Fermi level of the icosahedral phase is strongly affected by the band-structure originating from the quasiperiodicity.
Congruent Strategies for Carbohydrate Sequencing. 1. Mining Structural Details by MS<i><sup>n</sup></i> (2005)

This report is the first in a series of three focused on establishing congruent strategies for carbohydrate sequencing. The reports are divided into (i) analytical considerations that account for all aspects of small oligomer structure by MSn disassembly, (ii) database support using an ion fragment library and associated tools for high-throughput analysis, and (iii) a concluding algorithm for defining oligosaccharide topology from MSn disassembly pathways. The analytical contribution of this first report explores the limits of structural detail exposed by ion trap mass spectrometry with samples prepared as methyl derivatives and analyzed as metal ion adducts. This data mining effort focuses on correlating the fragments of small oligomers to stereospecific glycan structures, an outcome attributed to a combination of metal ion adduction and analyte conformation. Facile glycosidic cleavage introduces a point of lability (pyranosyl-1-ene) that upon collisional activation initiates subsequent ring fragmentation. Product masses and ion intensities vary with interresidue linkage, branching position, and monomer stereochemistry. Excessive fragmentation is the property of small oligomers where collisional energy within a smaller number of oscillators dissipates through extensive fragmentation. The procedures discussed in this report are unified into a singular strategy using an ion trap mass spectrometer with the sensitivity expected for electron multiplier detection. Although a small set of structures have been discussed, the basic principles considered are fully congruent, with ample opportunities for expansion.