gebhart/patrepeval huggingface dataset:
Short and Versatile Route to a Key Intermediate for Lactacystin Synthesis. (2003)

Abstract For Abstract see ChemInform Abstract in Full Text.
Acute head injuries (1978)

The Journal of Trauma: Injury, Infection, and Critical Care: October 1978 - Volume 18 - Issue 10 - p 747
Pathology of Cerebrospinal Fluid and Interstitial Fluid of the CNS: Significance for Alzheimer Disease, Prion Disorders and Multiple Sclerosis (1998)

Extracellular fluid in the central nervous system (CNS) is composed of cerebrospinal fluid (CSF), derived from the choroid plexus, and of interstitial fluid (ISF) in gray and white matter. Investigation of CSF plays a significant role in diagnosis and management of neurological disease and pathologies involving the CSF have important effects on the CNS itself. Hydrocephalus has many causes; clinical effects are due to a mixture of obstruction to CSF flow and damage to periventricular white matter with CSF edema, axonal loss and gliosis. Meningitis and subarachnoid hemorrhage are mainly confined to the subarachnoid space emphasising how this compartment is separated from the CNS by the pia mater and glia limitans; brain damage results from thrombosis of leptomeningeal vessels and infarction of CNS tissue. ISF from white matter appears to drain mainly to CSF, but ISF from gray matter drains along periarterial pathways in CNS and meninges, to lymph nodes in experimental animals, and probably in humans. Beta-amyloid in Alzheimer disease and prion proteins accumulate in the extracellular spaces of gray matter and in periarterial ISF drainage pathways as cerebral amyloid angiopathy, emphasising the role of periarterial drainage for the elimination of high molecular weight substances from the brain, possibly to regional lymph nodes. Lymphatic drainage of ISF drainage plays a major role in B- and T-lymphocyte mediated immune reactions in the CNS in animals. By analogy with experimental autoimmune encephalomyelitis, lymphatic drainage of brain antigens in ISF from the human CNS may play a key role in the pathogenesis of Multiple Sclerosis.
ChemInform Abstract: Protein Design as a Challenge for Peptide Chemists (1995)

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.
Type I Interferons Are Associated with Subclinical Markers of Cardiovascular Disease in a Cohort of Systemic Lupus Erythematosus Patients (2016)

Background: Systemic lupus erythematosus (SLE) patients have a striking increase in cardiovascular (CV) comorbidity not fully explained by the Framingham risk score. Recent evidence from in vitro studies suggests that type I interferons (IFN) could promote premature CV disease (CVD) in SLE. We assessed the association of type I IFN signatures with functional and anatomical evidence of vascular damage, and with biomarkers of CV risk in a cohort of lupus patients without overt CVD. Methodology/Principal Findings: Serum type I IFN activity (induction of five IFN-inducible genes; IFIGs) from 95 SLE patient and 38 controls was quantified by real-time PCR. Flow mediated dilatation (FMD) of the brachial artery and carotid intima media thickness (CIMT) were quantified by ultrasound, and coronary calcification by computed tomography. Serum vascular biomarkers were measured by ELISA. We evaluated the effect of type I IFNs on FMD, CIMT and coronary calcification by first applying principal components analysis to combine data from five IFIGs into summary components that could be simultaneously modeled. Three components were derived explaining 97.1 % of the total IFIG variation. Multivariable linear regression was utilized to investigate the association between the three components and other covariates, with the outcomes of FMD and CIMT; zero-inflated Poisson regression was used for modeling of coronary calcification. After controlling for traditional CV risk factors, enhanced serum IFN activity was significantly associated with decreased endothelial function in SLE patients and controls (p,0.05 for component 3), increased CIMT among SLE patients (p,0.01 for
Long-lasting synaptic regulation of dopamine neurons by astrocytes in the Ventral Tegmental Area (2021)

Abstract The plasticity of glutamatergic transmission in the Ventral Tegmental Area (VTA) represents a fundamental mechanism in the modulation of dopamine neuron burst firing and the phasic dopamine release at VTA target regions. These processes encode basic behavioral responses, including locomotor activity, learning and motivated-behaviors. Here we describe a hitherto unidentified mechanism of long-lasting potentiation of glutamatergic synapses on DA neurons. We found that VTA astrocytes respond to dopamine neuron bursts with Ca2+ elevations that require activation of endocannabinoid CB1 and dopamine D2 receptors colocalized at the same astrocytic process. Astrocytes, in turn, release glutamate that, through presynaptic metabotropic glutamate receptor activation coupled with neuronal nitric oxide production, induces long-lasting potentiation of excitatory synapses on adjacent dopamine neurons. Consistent with this finding, selective activation of VTA astrocytes increases dopamine neuron bursts in vivo and induces locomotor hyperactivity. Astrocytes play, therefore, a key role in the modulation of VTA dopamine neuron activity.
Three-Dimensional Structures of HIV-1 and SIV Protease Product Complexes, (1996)

Strain is eliminated as a factor in hydrolysis of the scissile peptide bond by human immunodeficiency virus (HIV)-1 and simian immunodeficiency virus (SIV), based on the first eight complexes of products of hydrolysis with the enzymes. The carboxyl group generated at the scissile bond interacts with both catalytic aspartic acids. The structures directly suggest the interactions of the gemdiol intermediate with the active site. Based on the structures, the nucleophilic water is displaced stereospecifically by substrate binding toward one catalytic aspartic acid, while the scissile carbonyl becomes hydrogen bonded to the other catalytic aspartic acid in position for hydrolysis. Crystal structures for two N-terminal (P) products and two C-terminal (Q) products provide unambiguous density for the ligands at 2.2-2.6 A resolution and 17-21% R factors. The N-terminal product, Ac-S-L-N-F/, overlaps closely with the N-terminal sequences of peptidomimetic inhibitors bound to the protease. Comparison of the two C-terminal products, /F-L-E-K and /F(NO2)-E-A-Nle-S, indicates that the P2' residue is highly constrained, while the positioning of the P1' and P3' residues are sequence dependent.
Barriers to rotation in intramolecularly hydrogen-bonded 2-phenylazoresorcinols (1988)

Separate peaks at δ 13.0 and 7.5 are observed for the intramolecularly hydrogen-bonded and nonhydrogen-bonded hydroxy groups in the 1H n.m.r. spectrum of 2-phenylazoresorcinol in [2H8]toluene at temperatures below ca. 300 K. At 357 K, equilibration of the two conformers in which the phenylazo group is hydrogen-bonded to each hydroxy group is rapid (k 5.4 × 104 s–1) and an averaged hydroxy peak at δca. 10 is observed. Energy barriers for substituted 2-phenylazoresorcinols in [2H8]toluene and CD2Cl2 have been obtained from linewidth measurements of the hydroxy peaks and from observation of coalescence temperatures of aromatic 1H and 13C signals.
RAPAMYCIN INHIBITS THE IN VITRO RELEASE OF SOLUBLE CD23 BY SAC/IL-2/IL-4-ACTIVATED HUMAN PERIPHERAL BLOOD B LYMPHOCYTES (1995)

Division of Clinical Immunology, UMDNJ-Robert Wood Johnson Medical School, Piscataway, New Jersey, and Onassis Cardiac Surgery Center, Athens 17674, Greece
Enforcing Safety under Actuator Attacks through Input Filtering (2022)

Actuator injection attacks pose real threats to all industrial plants controlled through communication networks. In this manuscript, we study the possibility of constraining the controller output (i.e. the input to the actuators) by means of a dynamic filter designed to prevent reachability of dangerous plant states - preventing thus attacks from inducing dangerous states by tampering with the control signals. The filter synthesis is posed as the solution of a convex program (convex cost with Linear Matrix Inequalities constraints) where we aim at shifting the reachable set of control signals to avoid dangerous states while changing the controller dynamics as little as possible. We model the difference between original control signals and filtered ones in terms of the H-infinity norm of their difference, and add this norm as a constraint to the synthesis problem via the bounded-real lemma. Results are illustrated through simulation experiments.
Spatial noise suppression for LCD displays: noise contrast (2010)

LCD monitors used for radiologic diagnosis exhibit a random spatial gain-fluctuation pattern that can be characterized as multiplicative fixed-pattern noise. Our goal is to use a monitor-particular map of this noise to pre-process mammograms for display. This noise map is obtained by processing a captured image of the monitor screen. In previous work we have demonstrated a method that produces a measurable reduction in the noise level. In this paper we describe the results of our first observer studies and of computer analysis using visual a discrimination model. The result proved to be negative, i.e. the pre-processing provided an insufficient degree of improvement to be judged diagnostically effective. In light of these first results, we have been examining our assumptions and processing methods. We begin with a brief introduction then describe the construction of the noise map and its use in pre-processing. The two key advances follow: the observer-study and the computer-modeling results. Finally, we describe our efforts to understand the relation of our measurement, modeling, and observer results.
A simplified molecular orbital model for octahedral metal carbonyl compounds (1969)

A simple model for the π-electron interaction between metal and CO groups in octahedral metal carbonyl systems has been developed. The basis set employed includes metal d orbitals of π symmetry with respect to the M—CO bond axes, and two orbitals of π symmetry on each CO, corresponding to the vacant π* orbitals of the CO groups. Each CO is assumed to donate 0·5 electrons to the metal via the σ bond. In compounds of the form M (CO)6–nLn, the ligands L are characterized by a certain degree of σ donor ability, and by two acceptor orbitals of π symmetry and variable energy. The model is sufficiently simple to permit exploration of a wide variety of ligand characteristics.With the aid of assumptions relating the charge distribution to bond orders, relative CO stretching force constants and CO,CO stretching interaction force constants can be calculated as a function of variable ligand characteristics. The results support the adequacy of the simple force field commonly employed in determining relative force constants in substituted octahedral metal carbonyl systems.
Synthesis and Pharmacological Evaluation of Novel Silodosin-Based Arylsulfonamide Derivatives as α1A/α1D-Adrenergic Receptor Antagonist with Potential Uroselective Profile (2018)

Benign prostatic hyperplasia (BPH) is the most common male clinical problem impacting the quality of life of older men. Clinical studies have indicated that the inhibition of α<sub>1A</sub>-/α<sub>1D</sub> adrenoceptors might offer effective therapy in lower urinary tract symptoms. Herein, a limited series of arylsulfonamide derivatives of (aryloxy)ethyl alicyclic amines was designed, synthesized, and biologically evaluated as potent α₁-adrenoceptor antagonists with uroselective profile. Among them, compound <b>9</b> (3-chloro-2-fluoro-<i>N</i>-([1-(2-(2-(2,2,2-trifluoroethoxy)phenoxy]ethyl)piperidin-4-yl)methyl)benzenesulfonamide) behaved as an α<sub>1A</sub>-/α<sub>1D</sub>-adrenoceptor antagonist (<i>K</i><sub>i</sub>(α₁) = 50 nM, EC<sub>50</sub>(α<sub>1A</sub>) = 0.8 nM, EC<sub>50</sub>(α<sub>1D</sub>) = 1.1 nM), displayed selectivity over α₂-adrenoceptors (<i>K</i><sub>i</sub>(α₂) = 858 nM), and a 5-fold functional preference over the α<sub>1B</sub> subtype. Compound <b>9</b> showed adequate metabolic stability in rat-liver microsome assay similar to the reference drug tamsulosin (Cl<sub>int</sub> = 67 and 41 µL/min/mg, respectively). Compound <b>9</b> did not decrease systolic and diastolic blood pressure in normotensive anesthetized rats in the dose of 2 mg/kg, <i>i.v</i>. These data support development of uroselective agents in the group of arylsulfonamides of alicyclic amines with potential efficacy in the treatment of lower urinary tract symptoms associated to benign prostatic hyperplasia.
Preparation of silica–titania xerogels and aerogels by sol–gel processing of new single-source precursors (2002)

Reaction of 3-(propyltrimethoxysilyl)acetylacetone with Ti(OiPr)4 results in new single-source precursors for dispersed silica–titania mixed-metal oxides with low titania crystallization tendencies.
Supplementary Figures S1-S5 from Chemoradiotherapy-Induced Upregulation of PD-1 Antagonizes Immunity to HPV-Related Oropharyngeal Cancer (2023)

&lt;p&gt;All supplementary Figures S1-S5. FIGURE S1. Gating scheme. FIGURE S2. Effect of chemoradiation on circulating immunocytes. FIGURE S3. Intracellular IFN-γ and TNF-α staining in CD8+ and CD4+ T cells. FIGURE S4. Effect of chemoradiotherapy on PD-1 expression on CD8+T cells. FIGURE S5. Baseline PD-1 expression is correlated with post-treatment PD-1 expression on CD4+ T cells.&lt;/p&gt;
Reservoir Simulation and Uncertainty Analysis of Enhanced CBM Production Using Artificial Neural Networks (2009)

Abstract Coalbed methane is becoming one of the major natural gas resources. CO2 injection into CBM reservoirs is used as an effective method for CBM production enhancement (ECBM) and for long term sequestration of CO2 (CO2Seq). Reservoir simulation is used regularly for building representative ECBM and CO2Seq models. Given the wide range of uncertainties that are associated with the geological models (that forms the foundation of any reservoir simulation), comprehensive analysis and uncertainty quantification of ECBM and CO2Seq models become very time consuming if not impossible. This paper addresses the uncertainty quantification of a complex ECBM reservoir model. We use a new technique by developing a Surrogate Reservoir Model (SRM) that can accurately mimic the behavior of the commercial reservoir model. Upon validation of SRM, we perform Monte Carlo Simulation (MCS) in order to quantify the uncertainties associated with the geological (CBM) model. Performing MCS requires thousands of simulation runs that can be performed easily once the SRM is developed. Key Performance Indicators (KPI) of the simulation model are identified to help reservoir engineers concentrate on the most influential parameters on the model’s output when studying the reservoir and performing uncertainty analysis. Unlike conventional geo-statistical techniques that require hundreds of runs to build a response surface or a proxy model, building an SRM only requires a few simulation runs.
Electronic properties of ferroelectric BaTiO3∕MgOBaTiO3∕MgO capacitors on GaAs (2004)

Thin films of MgO and BaTiO3BaTiO3 were deposited on (001) GaAs substrates using molecular beam epitaxy and pulsed laser deposition, respectively. X-ray diffraction scans indicate crystalline MgO and BaTiO3BaTiO3 thin films with preferential cc-axis orientation. Capacitors fabricated from the BaTiO3∕MgO∕GaAsBaTiO3∕MgO∕GaAs structures demonstrate ferroelectric hysteresis behavior with a remenant polarization of 0.4 μC∕cm20.4 μC∕cm2. Small-signal capacitance measurements indicate an effective dielectric constant for the BaTiO3∕MgOBaTiO3∕MgO structure of 45.5ε045.5ε0. A hysteresis behavior indicative of ferroelectric switching is observed in the capacitance–voltage characteristics with a memory window of approximately 2 V. The observation of ferroelectric behavior in these materials are promising for future multifunctional devices on GaAs.
Finite Element Analysis of the Ulnar Tunnel in Ulnar Collateral Ligament Reconstruction (2010)

The ulnar collateral ligament (UCL) of the elbow originates on the medial epicondyle of the humerus and inserts on the sublime tubercle of the proximal ulna. This ligament is classically composed of three distinct structures: the anterior bundle, the posterior bundle, and the transverse bundle. Of these three, the anterior bundle has been shown to be the primary stabilizer to valgus load between 20° and 120° of flexion [1]. Injuries to the anterior bundle of the UCL are commonly seen in baseball pitchers, where the valgus load on the elbow during the throwing motion approaches the failure load of the ligament [2].
[Tissue adhesion and local haemostasis using fibrinogen, thrombin and clotting factor xiii. (experimental investigations--clinical experience) (author's transl)]. (1976)

A report is given on experimental investigations and clinical experience in the use of a biological adhesive system. This system consists of highly-concentrated native fibrinogen, thrombin and clotting factor XIII. Experimental tissue adhesion was successfully performed in numerous experiments and with various organs. Local haemostasis was obtained even in cases when other methods failed by sealing off bleeding surfaces with a fibrin layer. The satisfactory results obtained in these experimental investigations were confirmed by the excellent outcome of a clinical trial. Fibrin represents a biological system which is completely absorbable, contrary to the commonly-used synthetic adhesives. Further advantages are its highly adhesive properties, elasticity of consistency and good tissue compatibility.
Hepatocyte growth factor (HGF) increases glucagon immunoreactivity in jejunal cells during intestinal adaptation (2004)

Timmapuri, Shaheen MD; Otterburn, David MD; Schwartz, Marshall Z. MD, FACS; Arafat, Hwyda MD, PhD Author Information
Analysis of decision tree classification algorithm based on attribute reduction and application in criminal behavior (2011)

In this paper, the attribute reduction strategy is syncretized into classification algorithm of the decision tree and applied to criminal behavior analysis. Finding implicit knowledge in the criminal database by this method can utilized to assist making decision for police quickly and accurately. The classification algorithm of the decision tree based on rough set is proposed for multi-attribute data table. The scale of decision tree and branches is minished and the reliability is improved via attribute reduction. Successful application in the analysis of criminal behavior shows the feasibility of the algorithm.
Daily energy expenditure through the human life course (2021)

Total daily energy expenditure ("total expenditure") reflects daily energy needs and is a critical variable in human health and physiology, but its trajectory over the life course is poorly studied. We analyzed a large, diverse database of total expenditure measured by the doubly labeled water method for males and females aged 8 days to 95 years. Total expenditure increased with fat-free mass in a power-law manner, with four distinct life stages. Fat-free mass-adjusted expenditure accelerates rapidly in neonates to ~50% above adult values at ~1 year; declines slowly to adult levels by ~20 years; remains stable in adulthood (20 to 60 years), even during pregnancy; then declines in older adults. These changes shed light on human development and aging and should help shape nutrition and health strategies across the life span.
Timelines in the management of adrenal crisis – targets, limits and reality (2014)

While the time between contacting health professionals and their arrival was within the limits set by experts, initiation of GC administration was delayed in 46% of patients. Thus, improved management of AC needs to focus on shortening the presentation of card-injection time. Given the current reality in the management of AC, promotion of self-injection of GC (s.c. or i.m.) is warranted.
<title>Experimental demonstration of automated scatter-glare correction in fluoroscopic images</title> (2002)

Fluoroscopic images are degraded by scattering of x-rays from within the patient and by veiling glare in the image intensifier. Both of these degradations are well described by a response function applied to primary intensity. We can automatically estimate the parameters of the response function with the aid of a reference object placed in the imaging field. Subtraction of the true reference signal yields artifacts unless proper scatter-glare correction is performed. We adjust the scatter-glare parameters in order to minimize these artifacts. We demonstrate this technique using an anthropomorphic phantom plus additional scattering material. Root mean square error in densitometric measurements of an x-ray phantom is reduced by 54 percent compared with no correction and by 36 percent compared with subtraction of uniform scatter measured under a beam stop.
A syn‐Selective Aza‐Aldol Reaction of Boron Aza‐Enolates Generated from N‐Sulfonyl‐1,2,3‐Triazoles and 9‐BBN‐H (2016)

A syn-selective aza-aldol reaction of boron aza-enolates, generated from N-sulfonyl-1,2,3-triazoles and 9-BBN-H, is reported. It provides a sequential one-pot procedure for the stereoselective construction of 1,3-amino alcohols, having contiguous stereocenters, starting from terminal alkynes.
A Physical Understanding of RF Noise in Bulk nMOSFETs With Channel Lengths in the Nanometer Regime (2011)

Experimental and simulation results of high-frequency channel noise in MOSFETs with 40-, 80-, and 110- nm gate lengths are presented. The measured dc <i xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">I</i> - <i xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">V</i> characteristics can be matched using the drift-diffusion (DD) and hydrodynamic (HD) transport models, both incorporating velocity saturation. The DD model grossly underestimates the measured noise, demonstrating the inadequacy of channel-length modulation and impact ionization to explain the excess noise. The HD model generates higher noise but not enough, showing that introduction of carrier heating is still insufficient to explain the experimental results. The underprediction of noise using the HD model can be mitigated by a suitable choice of the energy relaxation time and saturation velocity; however, simultaneous matching of both noise and dc <i xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">I</i> - <i xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">V</i> does not produce satisfactory results. Thus, TCAD simulators are unable to simulate this excess-noise mechanism at this time. Experimental data support that, at 40 nm gate lengths, noise can be described by a shot noise like expression.