gebhart/patrepeval huggingface dataset:
Development of new inhibitors of the enzime monoacylglycerol lipase (MGL) (2011)

DESARROLLO DE NUEVOS INHIBIDORES DE LA ENZIMA LIPASA DE MONOACILGLICERIDOS (MGL) Los endocannabinoides constituyen una clase de mensajeros lipidicos que modulan un amplio espectro de procesos fisiologicos en el sistema nervioso central y en la perife ria, siendo la N-araquidonoiletanolamina (anandamida, AEA) y el 2-araquidonoilglicerol (2-AG) los mas importantes. Ambos endocannabinoides exhiben funciones antinociceptivas y neuroprotectoras, estan implicados en el comportamiento alimenticio y regu lan tanto el crecimiento como la capacidad invasiva de determinados tipos de tumores. La implicacion de 2-AG en estas patologias abre la puerta a la posibilidad de nuevas aproximaciones terapeuticas basadas en la manipulacion de las enzimas implicada s en su metabolismo. En este sentido, se ha postulado la enzima lipasa de monoacilgliceridos (MGL) como la responsable de la degradacion in vivo de 2-AG por lo que la inhibicion de esta enzima ha surgido como una de las estrategias mas interesantes y con mayor potencial terapeutico. En este contexto, dado que al principio de este proyecto no se conocia la estructura tridimensional de esta enzima y en ausencia de un inhibidor potente y selectivo, nos basamos en la estructura del sustrato endogeno de la MGL, el 2-AG. Asi, hemos disenado y sintetizado una serie de compuestos de estructura general I en la que se ha llevado a cabo un barrido estructural sistematico variando la cadena de acido araquidonico, sustituyendo el fragmento de glicerol p or diversos heterociclos oxigenados y modificando los espaciadores entre ambas subunidades. Para todos los compuestos sintetizados se ha determinado su capacidad para inhibir la enzima MGL asi como su selectividad sobre la enzima hidrolasa de amidas de acidos grasos (FAAH), responsable de la degradacion de AEA. Por ultimo, los inhibidores optimos se han empleado en diferentes sistemas in vitro con el fin de obtener informacion sobre las enzimas implicadas en la degradacion de 2-AG y establecer s u potencial terapeutico en un modelo de neuroproteccion. En una primera serie, el estudio de relacion estructura-actividad (SAR) permitio seleccionar las subunidades heterociclicas de oxirano y tetrahidropirano, siendo los derivados de acido araquid onico UCM162 [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoato de (±)-oxiran-2-ilmetilo] y UCM505 [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoato de (±)-tetrahidro-2H-piran-2-ilmetilo] los que mostraron el mejor perfil in vitro, con unos valores de CI50 para
Sequencing in an Assembly Line with Blocking to Minimize Cycle Time (1989)

We consider an assembly line with m stations in series having finite capacity buffers. Blocking occurs when buffers are full. There are M different types of products to be assembled, each with its own processing requirements. There is a production target set for each type. The problem is to operate the line to maximize throughput. We propose heuristic approaches to this problem based on an equivalent maximum flow problem and on critical path techniques.
From Solution to the Gas Phase: Factors That Influence Kinetic Trapping of Substance P in the Gas Phase (2014)

Substance P (RPKPQQFFGLM-NH2) [M + 3H](3+) ions have been shown to exist as two conformers: one that is kinetically trapped and one that is thermodynamically more stable and therefore energetically preferred. Molecular dynamics (MD) simulations suggested that the kinetically trapped population is stabilized by interactions between the charge sites and the polar side chains of glutamine (Q) located at positions 5 and 6 and phenylalanine (F) located at positions 7 and 8. Here, the individual contributions of these specific intramolecular interactions are systematically probed through site-directed alanine mutations of the native amino acid sequence. Ion mobility spectrometry data for the mutant peptide ions confirm that interactions between the charge sites and glutamine/phenylalanine (Q/F) side chains afford stabilization of the kinetically trapped ion population. In addition, experimental data for proline-to-alanine mutations at positions 2 and 4 clearly show that interactions involving the charge sites and the Q/F side chains are altered by the cis/trans orientations of the proline residues and that mutation of glycine to proline at position 9 supports results from MD simulations suggesting that the C-terminus also provides stabilization of the kinetically trapped conformation.
Effects of adjunct testosterone on cardiac morphology and function in advanced cancers: an ancillary analysis of a randomized controlled trial (2019)

This study was prospectively registered on ClinicalTrials.gov (NCT00878995; date of registration: April 9, 2009).
Ultralow interfacial tensions in water–n-alkane–surfactant systems (1997)

The interfacial tensions between water- and oil-rich phases in the presence of microemulsions have been measured for ternary systems of water, n-alkanes, and nonionic alkylpolyglycolether surfactants (CiEj). It is found that the minimum of the interfacial tension curve, which is observed for each system in conjunction with the well-known phenomenon of phase inversion, depends sensitively, but systematically, on the chemical nature of the oil and the surfactant. Specifically, the minimum value of the interfacial tension σ̄ab decreases by 1 order of magnitude on decreasing either the carbon number of the alkane k by 6, or the number of oxyethylene groups j by 3, or by increasing the number of carbon atoms in the surfactant tail i by 2. The numerical values of the interfacial tensions as a function of temperature are presented along with an empirical description previously suggested [R. Strey, Colloid and Polymer Sci. 272, 1005 (1994)]. From the analysis, in terms of bending energy one obtains estimates for the bending and saddle-splay constants. The similar shape of the interfacial tension curves permits a superposition of the data for all 19 systems in support of a scaling relation recently derived [S. Leitao, A. M. Somoza, M. M. Telo da Gama, T. Sottmann, and R. Strey, J. Chem. Phys. 105, 2875 (1996)]. Furthermore, we note a striking coincidence of the numerical values of critical amplitude ratio R=σ0ξ02=0.37 kT in near-critical systems and the product σ̄abξ̄2=0.44(±0.10) kT where ξ̄ is the maximum length scale in the bicontinuous microemulsions.
A‐BETA‐LIPOPROTEINAEMIA (1981)

A-beta-lipoproteinaemia in a Danish woman is reported. The ocular involvement comprised pigmentary retinopathy, anisocoria and reduced corneal sensibility. Serum concentrations of vitamin A and retinol-binding protein (RBP) were low, but were normalized after vitamin treatment. Serum concentration of carotene was low, and not altered by treatment. The retinopathy progressed over a 2 1/2 year period in spite of controlled serum vitamin A and RBP concentrations. The possible role of vitamin A in the development of retinopathy is discussed.
Errors in serial PET SUV measurements (2010)

126 Objectives The goal of this study is to provide estimates of the errors in longitudinal PET studies that are due to instrumentation variability. Improved estimation and reduction of variability between patient scans may be of particular importance for clinical trials utilizing quantitative PET imaging. Methods We used the newly developed NIST standard for 68Ge sources for calibration of 18F dose measurement by standard dose calibrators. Using the same batch of 68Ge in epoxy, cross-calibration ‘kits’ were constructed for both dose calibrators and PET scanners. The PET scanner component consists of a 6 cm diameter cylinder that can be placed in a standard ACR PET phantom. The cylinder size is large enough to avoid partial volume errors. The cross-calibration kits allow for accurate measurement of measured activity in both a dose calibrator and PET scanner, thus allowing estimation of the errors in measured SUVs due to instrumental factors. These measurements were acquired at multiple time points in a local network of PET imaging sites to assess SUV errors and changes in SUV errors over time. Results For the studies completed the errors ranged from -16% to +18% for PET scanner measurements and from -4% to +9% for dose calibrator measurements. The corresponding errors in SUV measurements ranged from -13% to +9%. In addition the SUV biases were not stable in time, with changes from -11% to +15% in SUV values for the same scanners at different time points. Conclusions Little is known about PET scanner calibration variability and the effect is larger than may be expected. Initial results indicate a non-constant bias for serial patient studies. These results can provide guidelines for scanner calibration and allow improved estimates of variability due to instrumentation factors in serial PET studies. Research Support NCI Contract 24XS036-004 and NIH under Grants CA74135, and CA115870
Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif (2015)

Quasiracemic crystallography has been used to explore the significance of homochiral and heterochiral associations in a set of host-defense peptide derivatives. The previously reported racemic crystal structure of a magainin 2 derivative displayed a homochiral antiparallel dimer association featuring a "phenylalanine zipper" notable for the dual roles of phenylalanines in mediating dimerization and formation of an exposed hydrophobic swath. This motif is seen as well in two new quasiracemate crystals that contain the d form of the magainin 2 derivative along with an l-peptide in which one Ala has been replaced by a β-amino acid residue. This structural trend supports the hypothesis that the Phe zipper motif has functional significance.
Evaluating and Improving Thread-Level Speculation in Hardware Transactional Memories (2016)

This paper presents a detailed analysis of the application of Hardware Transactional Memory (HTM) support for loop parallelization with Thread-Level Speculation (TLS). As a result it provides three contributions: (a) it shows that performance issues well-known to loop parallelism (e.g. false sharing) are exacerbated in the presence of HTM, and that capacity aborts can increase when one tries to overcome them, (b) it reveals that, although modern HTM extensions can provide support for TLS, they are not powerful enough to fully implement TLS, (c) it shows that simple code transformations, such as judicious strip mining and privatization techniques, can overcome such shortcomings, delivering speed-ups for programs that contain loop-carried dependencies. Experimental results reveal that, when these code transformations are used, speed-ups of up to 30% can be achieved for some loops for which previous research had reported slowdowns.
Reply to the comments by D. Correa-Restrepo (1984)

First Page
Antibody guided targeting of non-small cell lung cancer using 111In-labeled HMFG1 F(ab')2 fragments. (1988)

Immunoscintigraphy using F(ab')2 fragments of tumor-associated monoclonal antibody HMFG1 was performed in 14 patients with primary and metastatic non-small cell carcinoma of lung cancer. The antibody was conjugated with diethylenetriamine pentaacetic acid and labeled with 111In. Quality control studies showed efficient incorporation of 111In onto antibody (5 mCi/mg), no significant loss of immunoreactivity, and in vitro and in vivo stability. The optimal time for imaging was between 48 and 72 h. Following i.v. administration, serum activity fell rapidly (t1/2a = 2.5 +/- 1.3 (SD) h; t1/2b = 42 +/- 4.5 h). The majority of the radioactivity was associated with the plasma and not with the blood cells. All patients had a significant concentration of 111In in the liver (approximately 20% of the injected dose, 48 h postadministration). No toxicity was encountered. No human antimurine-IgG antibody was detected in any of the patients within 4 months of follow-up, even in patients receiving two administrations of F(ab')2 fragments. Localization of all primary lesions and the majority (80%) of metastatic lesions was achieved. Seven of 14 patients were also studied using a 111In-labeled nonspecific antibody (Fab')2 fragment (4C4). In three patients the specificity index was higher than the other four (P less than 0.05). We conclude that although successful targeting of 111In-labeled (Fab')2 fragments of HMFG1 can be achieved in patients with non-small cell carcinoma of lung, observable tumor localization can also be achieved using a nonspecific antibody. Based on these findings, we recommend that in order to demonstrate specific radioimmunolocalization, patients with lung and possibly other tumor types should be studied using both specific and nonspecific antibodies.
An Energy and Exergy Analysis of Economizer-Based Data Centers (2009)

Electrical consumption for data centers is on the rise as more and more of them are being built. Data center owners and operators are looking for methods to reduce energy consumption and electrical costs. One method of reducing facility costs for a chilled water plant is by adding an economizer. Most studies concerning economizer systems are largely conducted by looking at energy alone since the primary focus has reducing electrical costs. However, little research has been published that examines exergy destruction for these types of systems based on varying outdoor air conditions by locale. The purpose of this study has been to develop energy and exergy-based models of each of the most common economizer systems. In this paper, a normal chiller plant without an economizer and a chiller plant with an indirect wet-side economizer (the most common type of economizer system) are compared. A method for simulating a mechanical cooling system is provided and results show outdoor conditions influence facility energy consumption and exergy destruction.
Kinetically controlled size-tunable iron oxide nanoparticle synthesis. (2013)

Abstract not provided.
<title>Time-varying system identification via explicit filtering of the parameter estimates</title> (1991)

The on-line identification of continuously adaptive rational models is considered for data records which are realizations of nonstationary processes. Emphasis is placed on the treatment of arbitrary time variations for the model coefficients. This motivates a novel approach to time-varying modeling, based only on limited a priori knowledge about the nature of the non- stationarity, namely the expected bandwidth of the time evolution for the parameter vector. The cost criterion considered is a constrained least squares cost functional which incorporates with equal weight all instantaneous errors up to the current time of observation. The constraint is specified from the expected time evolution bandwidth through explicit filtering of the parameters to be estimated. Computational considerations and associated trade-offs are discussed for the modeling of various nonstationary data.
Two-step metal-insulator transition in conducting metal oxide nanocrystal films. (2021)

Colloidal nanocrystals are attractive as solution-processible precursors for electronic and optoelectronic devices, but the conditions for achieving metallic conductivity remain unclear. While homogeneous materials can exhibit a direct transition from insulating to classical metal conduction, conductivity in nanocrystalline films typically remains thermally activated even as the electron concentration exceeds the threshold for an insulator to metal transition. Using transparent conducting films of tin-doped indium oxide (ITO) as a model system, we show that nanocrystal films undergo two well-defined transitions, from insulating to thermally activated metallic transport and finally to classical metal conduction. The transition criteria are theoretically defined as a function of the nanocrystal contact conductance. Our results establish a phase diagram that quantitatively describes electron transport behavior across nanocrystal size, dopant concentration, and inter-nanocrystal contact area. This understanding enables the design and fabrication of metallic conducting materials from nanocrystal building blocks.
Analysis and exploration of heme groups using ATR-FTIR for future health monitoring (2021)

We are exploring the use of different optical regions in the Mid-infrared (Mid-IR) that can be used to develop future point of care tools and methodologies. This research will allow us to establish new methods to monitor proxies for health within blood samples. Mid-IR spectra of heme groups were studied by FTIR analysis to find spectral signatures can be exploited to quantify the redox state of haemoglobin as a function of its concentration. We performed Attenuated Total Reflection Spectroscopy (ATR) using heme groups. We found spectral differences between HbMet and Hb/HbO<sub>2</sub> in the regions 3000-3600, 2000-2100 and 1300 cm<sup>-1</sup>. Mid-IR has the potential to expand the optical tools in medical monitoring and diagnosis for future non-invasive characterization systems. This could open a window of opportunity to understand proxies for disease and health in blood.
Over-expression of alpha-synuclein in human neural progenitors leads to specific changes in fate and differentiation (2007)

Missense mutations and extra copies of the alpha-Synuclein gene result in Parkinson disease (PD). Human stem and progenitor cells can be expanded from embryonic tissues and provide a source of non-transformed neural cells to explore the effects of these pathogenic mutations specifically in human nervous tissue. We over-expressed the wild type, A53T and A30P forms of alpha-synuclein in expanded populations of progenitors derived from the human fetal cortex. The protein localized in the nucleus and around microvesicles. Only the A53T form was acutely toxic, suggesting a unique vulnerability of these progenitors to this mutation. Interestingly, constitutive over-expression of wild-type alpha-synuclein progressively impaired the innate ability of progenitors to switch toward gliogenesis at later passages. To explore the effect of alpha-synuclein on neuronal subtypes selectively affected in PD, such as dopaminergic neurons, alpha-synuclein and its mutations were also over-expressed in terminally differentiating neuroectodermal cultures derived from human embryonic stem cells (hESC). Alpha-synuclein induced acute cytotoxicity and reduced the number of neurons expressing either tyrosine hydroxylase or gamma-aminobutyric acid over time. Consistent with the selective vulnerability of ventral midbrain dopaminergic neurons, alpha-synuclein cytotoxicity appeared most pronounced following FGF8/SHH specification and was decreased by inhibition of dopamine synthesis. Together, these data show that alpha-synuclein over-expressed in human neural embryonic cells results in patterns of degeneration that in some cases match features of Parkinson Disease. Thus, neural cells derived from hESC provide a useful model system to understand the development of alpha-synuclein-related pathologies and allow therapeutic drug screening.
Cocaine increases natural killer cell activity. (1986)

The administration of epinephrine to humans increases natural killer (NK) cell activity and numbers. If endogenous catecholamines regulate NK cells, then their activity should be increased by cocaine, an agent that potentiates endogenous catecholamines. We investigated the in vivo effect of cocaine on NK cell activity and on the distribution of lymphocyte subsets, including NK cells. Intravenous cocaine (0.6 mg/kg) produced a three- to fourfold increase in NK cell activity in peripheral blood. The increase was accompanied by a marked and selective increase in circulating NK cells, as identified by the Fc receptor (Leu-11). Normal saline and benzoylecgonine, a major metabolite of cocaine, had little effect on NK cell activity or on levels of Leu-11+ cells. Other lymphocyte subpopulations were not increased by cocaine. The time course of the alterations in NK cell numbers and activity paralleled plasma levels of cocaine. In vitro cocaine did not increase NK cell activity. Our results indicate that cocaine selectively alters the activity and distribution of the NK lymphocyte subset. Because cocaine increases the activity of endogenous catecholamines, these findings suggest that human NK cells are selectively regulated by the sympathetic nervous system.
Enantioselektive C‐C‐Bindungsaktivierung von Allenylcyclobutanen: Synthese von Cyclohexenonen mit quartären Stereozentren (2008)

Mit chiralen Rhodium(I)-Komplexen gelang die effiziente Aktivierung von Allenyl-tert-cyclobutanolen durch enantioselektive Insertion in die C-C-σ-Bindung des Cyclobutans (siehe Schema; cod=1,5-Cyclooctadien, DTBM=3,5-Di-tert-butyl-4-methoxyphenyl). Die Methode ermöglicht den Aufbau von Cyclohexenonen mit quartären Stereozentren mit exzellenten Enantioselektivitäten von bis zu 99 % ee. Die Katalysatormenge kann auf 0.1 Mol-% reduziert werden. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
1P1-C08 Scoliosis Corrective Force Estimation from the Implant Rod Deformation (2010)

The effective surgical treatment of severely curved scoliosis is achieved through fixation of implants to modify the spine curve and to apply the suitable corrective forces. In such corrected spine structure with implant rods, load conditions of the spine after treatment could be estimated by detecting the deformation of the rods. In this study, in vivo forces estimation method for corrected spine was proposed using the measurements of rod geometry change. The forces applied at the fixation screws at vertebra were calculated using finite element method. Force estimation in actual scoliosis treatment was conducted from the rod geometry data before and after the surgical treatment. Forces distribution of a rod was analyzed as elastic-linear plastic material.
Background subtraction via exact solution of Bayesian L1-norm tensor decomposition (2020)

In background subtraction, principal component analysis (PCA) based algorithm has shown remarkable ability to decompose foreground and background in video acquired by static camera. The algorithm via closed form solution of L1-norm Tucker-2 decomposition is one of the real-time background subtraction algorithms. The closed form solution can be obtained from linear combination of video frame vectors and coefficient vector which composed of only +1 and -1. However, since the optimal coefficient vector is unknown, the method cannot help to be a complicated combinatorial optimization problem, when the number of input frame is large. In this paper, to solve this problem, Bayesian optimization (BayesOpt) which is a black-box derivative-free global optimization based background subtraction method is proposed. This method finds the optimal coefficient combination without considering the linear combination of all possible coefficient-combinations, using Bayesian statistical model and Expected Improvement (EI) acquisition function. Here the Bayesian statistical modeling is the method that measures the uncertainty of unsampled coefficient combination points and the EI function is a surrogate function which indicates the next sampling coefficient combination points. The experimental results confirm the efficiency of the proposed method.
ICBS: The Improved Conflict-Based Search Algorithm for Multi-Agent Pathfinding: Extended Abstract (2015)

A Multi-Agent Path Finding (MAPF) problem is defined by a graph, G = (V,E) and a set of k agents labeled a1... ak, where each agent ai has a start position si ∈ V and a goal position gi ∈ V. At each time step an agent can either move
Preparing SuperCam for Jezero Crater, Mars: LIBS, Raman, VISIR, Luminescence, Imaging, and Acoustic Analyses (2019)

International audience