gebhart/patrepeval huggingface dataset:
Benzodioxoles: Novel Cannabinoid-1 Receptor Inverse Agonists for the Treatment of Obesity (2008)

The application of the evolutionary fragment-based de novo design tool TOPology Assigning System (TOPAS), starting from a known CB1R (CB-1 receptor) ligand, followed by further refinement principles, including pharmacophore compliance, chemical tractability, and drug likeness, allowed the identification of benzodioxoles as a novel CB1R inverse agonist series. Extensive multidimensional optimization was rewarded by the identification of promising lead compounds, showing in vivo activity. These compounds reversed the CP-55940-induced hypothermia in Naval Medical Research Institute (NMRI) mice and reduced body-weight gain, as well as fat mass, in diet-induced obese Sprague-Dawley rats. Herein, we disclose the tools and strategies that were employed for rapid hit identification, synthesis and generation of structure-activity relationships, ultimately leading to the identification of (+)-[( R)-2-(2,4-dichloride-phenyl)-6-fluoro-2-(4-fluoro-phenyl)-benzo[1,3]dioxol-5-yl]-morpholin-4-yl-methanone ( R)-14g . Biochemical, pharmacokinetic, and pharmacodynamic characteristics of ( R)-14g are discussed.
CellGPS: Whole-body tracking of single cells by positron emission tomography (2019)

Abstract In vivo molecular imaging tools are critically important for determining the role played by cell trafficking in biological processes and cellular therapies. However, existing tools measure average cell behavior and not the kinetics and migration routes of individual cells inside the body. Furthermore, efflux and non-specific accumulation of contrast agents are confounding factors, leading to inaccurate estimation of cell distribution in vivo . In view of these challenges, we report the development of a “cellular GPS” capable of tracking single cells inside living subjects with exquisite sensitivity. We use mesoporous silica nanoparticles (MSN) to concentrate 68 Ga radioisotope into live cells and inject these cells into live mice. From the pattern of annihilation photons detected by positron emission tomography (PET), we infer, in real time, the position of individual cells with respect to anatomical landmarks derived from X-ray computed tomography (CT). To demonstrate this technique, a single human breast cancer cell was tracked in a mouse model of experimental metastasis. The cell arrested in the lungs 2-3 seconds after tail-vein injection. Its average velocity was estimated at around 50 mm/s, consistent with blood flow rate. Other cells were tracked after injection through other routes, but no motion was detected within 10 min of acquisition. Single-cell tracking could be applied to determine the kinetics of cell trafficking and arrest during the earliest phase of the metastatic cascade, the trafficking of immune cells during cancer immunotherapy, or the distribution of cells after transplantation in regenerative medicine.
External Validation of a Multiplex Urinary Protein Panel for the Detection of Bladder Cancer in a Multicenter Cohort (2014)

If proven to be reliable, urinary diagnostic biomarker assays can detect bladder cancer in a timely manner such that the patient can expect improvements in overall survival and quality of life.
Prediction of Circuit-Performance Variations from Technology Variations for Reliable 100 nm SOC Circuit Design (2011)

The long-standing problem of predicting circuit performance variations without a huge number of statistical investigations is demonstrated to be solvable by a surface-potential-based MOSFET model. Direct connection of model parameters to physical device parameters reflecting process variations and the reduced number of model parameters are the enabling key model properties. It has been proven that the surface-potential-based model HiSIM2 is capable of reproducing measured I-V and its derivatives' variations with those of device/process related model parameters. When used to predict 51-stage ring oscillator frequency variation including both inter- and intra-chip variation, it reproduces measurements with shortened simulation time.
Effect of carrier confinement on the laser-induced etching of GaAs/AlGaAs heterostructures (1989)

Laser-induced photochemical etching was used to etch GaAs/AlGaAs multilayered material. In this carrier-driven process, the confinement of photogenerated holes to the alternating GaAs layers resulted in the controlled lateral etching of buried GaAs layers. An application of this etching technique to forming microcleaved laser facets is described.
Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements (2021)

Abstract This communication reports experimental and theoretical evidences of σ‐hole interactions in adducts between nitrogen or oxygen nucleophiles and tetroxides of osmium or other group 8 elements. Cocrystals between pyridine or pyridine N‐oxide derivatives and osmium tetroxide are characterized through various techniques and rationalized as σ‐hole interactions using DFT calculations and several other computational tools. We propose the term “osme bond” (OmB, Om=Fe, Ru, Os, (Hs)) for naming the noncovalent interactions wherein group 8 elements have the role of the electrophile. The word osme is the transcription of ὀσμή, the ancient Greek word for smell that was used to name the heaviest group 8 element in relation to the smoky odor of its tetroxide.
Observing monomer - dimer transitions of neurotensin receptors 1 in single SMALPs by homoFRET and in an ABELtrap (2019)

G protein-coupled receptors (GPCRs) are a large superfamily of membrane proteins that are activated by extracellular small molecules or photons. Neurotensin receptor 1 (NTSR1) is a GPCR that is activated by neurotensin, i.e. a 13 amino acid peptide. Binding of neurotensin induces conformational changes in the receptor that trigger the intracellular signaling processes. While recent single-molecule studies have reported a dynamic monomer - dimer equilibrium of NTSR1 in vitro, a biophysical characterization of the oligomerization status of NTSR1 in living mammalian cells is complicated. Here we report on the oligomerization state of the human NTSR1 tagged with mRuby3 by dissolving the plasma membranes of living HEK293T cells into 10 nm-sized soluble lipid nanoparticles by addition of styrene-maleic acid copolymers (SMALPs). Single SMALPs were analyzed one after another in solution by multi-parameter single molecule spectroscopy including brightness, fluorescence lifetime and anisotropy for homoFRET. Brightness analysis was improved using single SMALP detection in a confocal ABELtrap for extended observation times in solution. A bimodal brightness distribution indicated a significant fraction of dimeric NTSR1 in SMALPs or in the plasma membrane, respectively, before addition of neurotensin.
Concentrator Access Networks for Programmable Logic Cores on SoCs (2005)

The inclusion of programmable logic cores in modern SoC motivates the need for an access network to make full use of this resource. The programmable nature of these cores removes the requirement of input/output ordering on this access network. Theoretical work on a class of unordered networks called concentrators has shown that as these networks become large, they have a lower cost than ordered or permutation networks. However, currently known constructions of concentrator networks are not lower cost than permutation networks for the entire range of networks of the size required for SoC. This paper demonstrates the differences in the cost and depth of concentrator and permutation networks. It also presents a new construction of a concentrator network that has lower cost and depth than a permutation network for all configurations.
A test bed to compare the performance of different wavefront sensory (2020)

We report on a test bed to compare the performance of three different wavefront sensors, the Shack-Hartmann Wavefront Sensor (SHWFS), the Pyramid Wavefront Sensor (PWFS), and the non-linear Curvature Wavefront Sensor (nlCWFS). No single wavefront sensor easily allows for sensing all aspects of atmospheric turbulence. For instance the SHWFS has a large dynamic range and a linear response to input phase aberrations but is not sensitive to low order modes. The PWFS uses the full spatial resolution of the pupil which gives it increased sensitivity to low order modes, however it still treads the line between achieving high dynamic range and high sensitivity. The nlCWFS is the only wavefront sensor designed to sense low and high, spatial frequencies, however this leads to a complex algorithm. We discuss the reconstruction algorithm for each WFS along with simulated comparisons, we present the optical design for the WFS comparison tes tbed, and outline the adaptive optics controls system.
The Quilty lesion enigma: Focal apoptosis/necrosis and lymphocyte subsets in human cardiac allografts (1998)

Quilty lesions, as first described by Billingham in 1981, or 'Quilty Effect' (QE) are distinct endomyocardial mononuclear cell infiltrates that have been observed in human heart transplant recipients, as well as in experimental models of heart transplantation. In the present investigations, the pattern and extent of apoptosis (programmed cell death) and myocyte necrosis, as well as specific lymphocyte subsets in Quilty lesions was assessed. Endomyocardial biopsies obtained from 13 patients at 10-3362 days post-transplant were examined. Apoptosis, as identified by DNA nick end-labeling, was found in myocytes at the periphery of Quilty lesions in 11 of 13 cases (85%), and 'early' stages of myocyte necrosis, as demonstrated by specific staining with alpha light chain myosin monoclonal antibodies (mAb), was observed at the same sites in 10 of 13 cases (77%) of both Quilty type A and type B lesions. Apoptosis was not identified in the lymphocyte infiltrates of any of the lesions examined. Lymphocyte subsets were characterized using mAb for T cell receptor (CD3), for helper/inducer T cells (CD4), for cytotoxic/suppressor T cells (CD8) and for mature B cells (CD20). Immunostaining revealed separate clusters of T lymphocytes with less prevalent B cells within the Quilty lesions. CD4+ cells were found in larger numbers than CD8+ cells in all cases. Non-B, non-T large lymphocytes were occasionally present. Except for the extent of the cellular infiltrate, no major cytochemical lymphocyte distribution differences were found between Quilty type A and B lesions. Myocyte apoptosis and early necrosis at the periphery of Quilty lesions suggest that early myocyte injury occurring in B lesions may represent initial or 'abortive stages' of cardiac allograft rejection. Why these lesions do not progress to overt rejection indeed warrant further detailed studies.
ChemInform Abstract: Synthesis and Calpain Inhibitory Activity of α‐Ketoamides with 2,3‐Methanoleucine Stereoisomers at the P2 Position. (2001)

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.
Sub‐microscopic transient lens spectroscopy of InGaN/GaN quantum wells (2003)

Abstract Transient lens (TL) spectroscopy was developed with sub‐micrometer spatial resolution to observe the temporal and special behavior of the nonradiative processes of carrier dynamics in InGaN/GaN quantum wells (QW). We have observed the carrier density dynamics and the thermal dynamics in the TL signals with a nanosecond pulsed laser. We have also observed TL and photoluminescence (PL) signals by using near‐field scanning optical microscopy (NSOM), and find that both PL and TL images are correlated and exhibit submicron scale spatial inhomogeneity. (© 2003 WILEY‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)
A Stimulating Effect of Glucose on Somatostatin Release Is Impaired in Noninsulin-Dependent Diabetes Mellitus* (1984)

The effect of oral glucose (1 g/kg BW) on levels of immunoreactive somatostatin (SLI) in peripheral venous plasma was investigated in young and older nondiabetic subjects (mean ages, 25.8 and 56.7 yr, respectively) as well as in subjects with decreased iv glucose tolerance (K value less than 1.0) and in diet-treated diabetic patients with fasting hyperglycemia (blood glucose, greater than 7.0 mmol/liter). SLI was assayed after extraction of plasma on silica glass beads. In control experiments (glucose omitted), SLI levels tended to decline. Ingestion of glucose was followed by a moderate (52% or less) increase in SLI levels in subjects with normal or decreased iv glucose tolerance. The stimulating effect was sustained for 90 or 120 min after glucose ingestion and the increase in plasma SLI was significant (P less than 0.05-0.02) whether in relation to prestimulatory values or control experiments. In contrast, in overtly diabetic patients, glucose ingestion was not followed by increased SLI levels. It is concluded that oral glucose stimulates SLI secretion in individuals of different ages and with varying degrees of glucose tolerance, but the response is impaired in type 2 diabetic patients with fasting hyperglycemia.
Cationic Polymers for the Delivery of Therapeutic Nucleotides (2015)

In the last decade, insertion of a therapeutic gene and nucleotide into cells termed as gene therapy has shown tremendous potential to cure life-threatening severe diseases. This therapy involves carrying the therapeutic gene to the nucleus of an affected cell through a vector. Initially viral vectors were employed for this purpose, but low production yield, limited carrying capacity, and long-term safety concerns associated with viral vectors led to the development of nonviral vectors as gene carriers. Currently, used nonviral carriers include polymers and lipids with cationic charge. Cationic polymers provide an excellent alternative for gene delivery due to their water solubility, biodegradability, ease of modification, and excellent compatibility with body systems, but challenges still persist to optimize them as ideal vectors. This chapter provides an overview of present status of cationic polymers and challenges associated with their use for gene delivery.
Complete Genome Sequence of Encapsulated Haemophilus influenzae Type f KR494, an Invasive Isolate That Caused Necrotizing Myositis (2013)

Haemophilus influenzae serotype f (Hif) is an etiologic agent of bacterial invasive disease. Here, we report the first annotated genome sequence of the Hif strain KR494, which was isolated from a patient suffering from sepsis and necrotizing myositis. The genome sequence will increase the understanding of Hif pathogenesis.
Long-Term Entrainment of Circannual Reproductive and Metabolic Cycles by Northern and Southern Hemisphere Photoperiods in Woodchucks (Marmota monax)1 (1997)

Woodchucks were exposed to simulated Northern Hemisphere (boreal) or Southern Hemisphere (austral) natural photoperiods in groups of 17 males and 17-18 females at 20-23 degrees C for 69 mo and examined monthly. Photoentrainment of endogenous cycles was evaluated based on dates of peak body weight, peak testis volume, increased serum testosterone in males, and increased serum progesterone in females. Boreal photoperiods entrained and synchronized annual cycles in 15 of 17 males and in all 17 females; 2 males never entrained and free-ran at 9- to 11-mo intervals. Austral photoperiods phase-advanced cycles by approximately 6 mo after 2.5 yr in 34 of 35 animals. Four entrained males became refractory after 4 yr, free-running at 6- to 10-mo intervals. Photoentrained boreal animals became phase-advanced by 1 mo during the first 2 yr, and then had 12-mo cycles for 4 yr. In Year 5, on average, boreal cycles included initial testosterone elevations in mid-January (vs. mid-July in australs), parturition in early March (vs. early September in australs), and peak body weight in mid-July (vs. late January in australs). The results confirm that endogenous circannual cycles of woodchucks can be entrained and synchronized for 6 yr by daily changes in photoperiod similar to those of midnorthern latitudes, and can be re-entrained and phase-advanced 6 mo by photoperiods of midsouthern latitudes.
Bifurcation of Locked States in Stochastic Systems (1998)

A stochastic system with a vanishing diffusion at deterministic fixed points is analytically studied. Above the critical noise intensity, the noise stabilizes the deterministic unstable fixed points. The system is locked at one of the deterministic stable or unstable fixed points with probabilities which depend on the noise intensity and an initial condition. An example is studied numerically showing the bifurcation of locked states.
Synergistic effects of mixing hybrid poplar and wheat straw biomass for bioconversion processes (2015)

Blending hybrid poplar and wheat straw resulted in more monomeric sugar recovery and less sugar degradation. This synergistic effect is attributable to interaction of hybrid poplar's high acetic acid content and the presence of ash supplied by wheat straw. As a consequence on average 20 % more sugar was yielded by using the different biomass mixtures. Combining hybrid poplar and wheat straw enables sourcing of the lowest cost biomass, reduces seasonal dependency, and results in increasing biofuels and chemicals productivity in a cellulosic biorefinery.
Promethium-doped phosphate glass laser at 933 and 1098 nm (1987)

A promethium (Pm3+) laser has been demonstrated for the first time. Trivalent promethium 147 doped into a lead-indium-phosphate glass étalon was used to produce room-temperature four-level laser emission at wavelengths of 933 and 1098 nm. Spectroscopic and kinetic measurements have shown that Pm3+ is similar to Nd3+ as a laser active ion.
Indol-3-Carbinol Regulated Tight Junction Permeability and Associated-Protein Level and Suppressed Cell Invasion in Human Colon Cancer Cell Line, HT-29 (2008)

To determine whether indol-3-carbinol (BC, ), an autolysis product of a glucosinolate and a glucobrassicin in vegetables, regulated tight junction proteins (TJ) and suppressed cell invasion in colon cancer cells, this experiment was performed. Our results indicate that I3C inhibit cell growth of HT-29 cells in a dose (0, 50, ) and time (0, 24 and 48h) dependent manner. Using the wound healing and matrigel invasion study, respectively, BC inhibits the cell motility and invasion of the ovarian cancer cell line. The TEER values were increased in HT-29 cells grown in transwells treated with BC, reversely, paracellular permeability was decreased in those of condition. Claudin-1, claudin-5, ZO-1 and occuldin have been shown to be positively expressed in HT-29 coloncancer cells. I3C occurs concurrently with a significant decrease in the levels of those of proteins in HT-29 cells. But E-cadherin level in the HT-29 was increased by I3C. The reduction of claudin-1 and claudin-5 protein levels occurred post-transcriptionaly since their mRNA levels are no difference by I3C. Therefore, our results suggest that I3C may be expected to inhibit cancer metastasis and invasion by tighten the cell junction and restoring tight junction in colon cancer cell line, HT-29.
Dynamics of recombinative desorption of H2 and D2 from Cu(110), Cu(111), and sulfur-covered Cu(111) (1985)

Rotational and vibrational state distributions have been determined for H2 and D2 recombinatively desorbing from clean Cu(110) and Cu(111) surfaces in ultrahigh vacuum, and also from sulfur-covered Cu(111). A 2+1 resonanced-enhanced multiphoton ionization technique is employed. For clean copper the (v″=1)/(v″=0) vibrational population ratio for both H2 and D2 is ∼50 times greater than the value expected for an equilibrium ensemble at the surface temperature Ts for desorption from Cu(110) and ∼100 times greater from Cu(111). In contrast, for sulfur-covered Cu(111), the H2 (v″=1)/(v″=0) ratio is 10 to 100 times less than for clean Cu(111) at the start of permeation but recovers sharply about 45 min later to a value close to that measured for the clean surface. We find that the total near-surface sulfur concentration appears to remain constant over the same time period, but that the overlayer structure is radically altered.
Performance and Durability of Metal SOFCs in Alternate Fuels (2023)

Power generation from electrochemical devices based on solid oxide fuel cells (SOFCs) is in great demand for both stationary and automotive applications to achieve carbon neutrality goals by 2050. In particular, SOFCs are known for their fuel-flexible operations; for example, SOFCs can operate on simple and complex renewable fuels (such as ethanol, natural gas, jet fuel, propane, etc.). Unlike H 2 -based fuel cells, liquid and hydrocarbon fuels in SOFCs adopt the existing fuel infrastructure and contribute to reducing greenhouse gas emissions significantly. This article presents the potential of using metal-based SOFCs (metal cells) as highly performing and durable power generators. The metal cells technology could be the most accessible solution for using SOFCs for versatile industrial needs.
Ground Fault Location Method for DC Power Sources (2021)

Direct current (DC) power sources such as solar panels and batteries are becoming essential in the new electrical power systems. These types of DC power sources require of many cells to achieve an optimal operation voltage making difficult the fault diagnosis, especially ground faults, the most common type. In this paper, a new ground fault location method is proposed. The new method is based on the voltage measurement of a grounding resistor between three positions: the positive, the midpoint and the negative terminals of the protected DC power source. The method enables both the location of the fault and the resistance fault estimation. Additionally, for more complex topologies, the output current of each branch is used to identify the parallel branch where the ground fault is. The method has been validated by means of the simulation of a six-branch battery pack connected to an AC-DC inverter obtaining promising results.
Supplemental Figure S2 from MGD011, A CD19 x CD3 Dual-Affinity Retargeting Bi-specific Molecule Incorporating Extended Circulating Half-life for the Treatment of B-Cell Malignancies (2023)

&lt;p&gt;MGD011 demonstrated concentration-dependent binding on human and cynomolgus monkey CD20 B cells and CD4, CD8 T cells&lt;/p&gt;
Differentiation of DiastereomericN-Acetylhexosamine Monosaccharides Using Ion Trap Tandem Mass Spectrometry (1999)

A quadrupole ion trap mass spectrometer equipped with electrospray ionization was used to distinguish three diastereomeric monosaccharides, N-acetylglucosamine, N-acetylgalactosamine, and N-acetylmannosamine. The saccharides were derivatized to form the metal complex [CoIII(DAP)2HexNAc]Cl3 which, when collisionally activated, produced dramatically different product ion spectra. The product ion spectra generated for the three monosaccharide diastereomers were then used to confirm the stereochemistry of N-acetylhexosamines from a hydrolyzed oligosaccharide. Finally, the origin of each product ion was determined through isotopic labeling studies, and mechanisms were proposed which explain each resulting dissociation.
Complementary effects of antioxidants and sunscreens in reducing UV-induced skin damage as demonstrated by skin biomarker expression (2010)

The study demonstrated that a combination of antioxidants and sunscreens complement each other, resulting in superior photoprotection.