gebhart/patrepeval huggingface dataset:
Chemotype-selective Modes of Action of κ-Opioid Receptor Agonists (2020)

The crystal structures of opioid receptors provide a novel platform for inquiry into opioid receptor function. The molecular determinants for activation of the κ-opioid receptor (KOR) were studied using a combination of agonist docking, functional assays, and site-directed mutagenesis. Eighteen positions in the putative agonist binding site of KOR were selected and evaluated for their effects on receptor binding and activation by ligands representing four distinct chemotypes: the peptide dynorphin A(1–17), the arylacetamide U-69593, and the non-charged ligands salvinorin A and the octahydroisoquinolinone carboxamide 1xx. Minimally biased docking of the tested ligands into the antagonist-bound KOR structure generated distinct binding modes, which were then evaluated biochemically and pharmacologically. Our analysis identified two types of mutations: those that affect receptor function primarily via ligand binding and those that primarily affect function. The shared and differential mechanisms of agonist binding and activation in KOR are further discussed. Usually, mutations affecting function more than binding were located at the periphery of the binding site and did not interact strongly with the various ligands. Analysis of the crystal structure along with the present results provide fundamental insights into the activation mechanism of the KOR and suggest that “functional” residues, along with water molecules detected in the crystal structure, may be directly involved in transduction of the agonist binding event into structural changes at the conserved rotamer switches, thus leading to receptor activation.
Non-proportionality and thermoluminescence of LSO:Ce (2005)

This work presents the results from experiments performed on Lu/sub 2/SiO/sub 5/:Ce (LSO:Ce). It looks for potential correlations of light yield non-proportionality and other scintillation properties including intrinsic energy resolution with thermoluminescence properties. Samples were chosen from various crystal batches that were known to have significantly different properties. Single crystal LSO:Ce samples were coupled to an XP2020Q photomultiplier and to large area avalanche photodiodes and measured as a function of gamma-ray energy between 14.7 and 1770 keV at room temperature and also near liquid nitrogen temperature. In order to explain the experimental results obtained from spectrometric methods, the properties of the samples were further studied using thermoluminescence techniques within the temperature range from 250 to 600 K. The relationships between data obtained from these two types of experiments are reported.
Unnecessary hospitalization in a psychiatric rehabilitation unit. (1992)

consent, as they move within the NHS, house officers may be unaware that they are not protected against prescribed diseases such as tuberculosis and hepatitis B. It may well be that Lewisham Hospital's handbook mentions the occupational health department.Luisa Dillner's review of Stress and the Medical Profession seems to confirm my views.2The pen- ultimate paragraph suggests that doctors need an accessible counselling service and an occupational health service that is geared to recognising stress.The standard and quality of occupational health services vary considerably within the NHS, but it is essential that all staff, including doctors, become more aware of the services they offer.
Supplementary Figure 3 from Systematic Kinome shRNA Screening Identifies CDK11 (PITSLRE) Kinase Expression Is Critical for Osteosarcoma Cell Growth and Proliferation (2023)

&lt;p&gt;PDF file, 31K, Validation of CDK11 knockdown inhibits proliferation and growth in multiple osteosarcoma cell lines.&lt;/p&gt;
Growth Inhibition of Human Leukemia HL-60 Cells by an Antisense Phosphodiester Oligonucleotide Encapsulated into Fusogenic Liposomes. (2000)

We report here the antisense effect of phosphodiester oligodeoxynucleotide (D-ODN) using fusogenic liposomes (FL) as its carrier. FL has envelope proteins of the Sendai virus within its membrane and introduces its contents directly and efficiently into cytosol by means of the virus-cell fusion mechanism. Using antisense (AS) D-ODN 15-mer complementary to the c-myc proto-oncogene mRNA, including the translation initiation codon site, we analyzed the growth of HL-60 cells by [3H]-thymidine uptake. AS-ODNs encapsulated in FL inhibited the growth by about 70% that of the control HL-60 cells at 2.48 microM. In contrast, sense and scramble D-ODNs encapsulated in FL showed no effect of the growth of HL-60 cells at the same concentration. Even at 50 microM, free form D-ODNs did not show any effect. These results suggest that FL is potentially a useful delivery vehicle for oligonucleotide-based therapeutics, and that D-ODN may be a likely candidate for oligodeoxynucleotides when an efficient delivery system is used.
Prolonged growth of activated B lymphocytes requires interaction with helper T cells (1987)

Resting B lymphocytes acquire upon activation responsiveness to soluble factors that support their growth and differentiation. We have studied the growth requirements of anti-mu pre-activated B lymphocytes in vitro. We found that activated B lymphocytes did respond to soluble factors from helper T cells by entering the cell cycle but cell-cell contact with specific helper T cells was required for prolonged growth of activated B lymphocytes. Thus, activated B lymphocytes must receive activation signals from helper T cells in order to stay in the proliferative phase of the cell cycle.
ChemInform Abstract: Facile Regeneration of Carbonyl Compounds from Oximes and Tosylhydrazones with TBHP. (1997)

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.
Protein Binding to Lanthanide(III) Complexes Can Reduce the Water Exchange Rate at the Lanthanide (2007)

The GdIII-based magnetic resonance imaging contrast agent MS-325 targets the blood protein serum albumin, resulting in an increased efficacy (relaxivity) as a relaxation agent. MS-325 showed different relaxivities when bound to serum albumin from different species, e.g., r1=30.5 mM-1 s-1 (rabbit) vs 46.3 mM-1 s-1 (human) at 35 degrees C and 0.47 T. To investigate the mechanism for this difference, surrogate complexes were prepared where the GdIII ion was replaced by other LnIII ions. Fluorescence lifetime measurements of the EuIII analogue indicated that the hydration number was q=1 and did not change when bound to either human, rat, rabbit, pig, or dog serum albumin. The YbIII analogue, YbL1, was prepared and characterized by 1H NMR. Line-shape analysis of the paramagnetic-shifted 1H NMR resonances in the presence of increasing amounts of human (HSA) or rabbit (RSA) serum albumin allowed estimation of the transverse relaxation rate, R2, of these resonances for the protein-bound YbL1. The rotational correlation time of YbL1 was calculated from R2, and the Yb-H distance and was tauR=8+/-1 ns when bound to HSA and 13+/-2 ns when bound to RSA. The water exchange rate at the DyIII analogue, DyL1, was determined from variable-temperature R2 measurements at 9.4 T when DyL1 was bound to either HSA or RSA. At 37 degrees C, water exchange at DyL1 was (31+/-5)x10(6) s-1 when bound to HSA but (3.8+/-0.2)x10(6) s-1 when bound to RSA. Slower water exchange upon RSA binding explains the differences in relaxivity observed. The approach of using surrogate lanthanides to identify specific molecular parameters influencing relaxivity is applicable to other protein-targeted GdIII contrast agents.
Efficacy of Proanthocyanidins from Pelargonium sidoides Root Extract in Reducing P. gingivalis Viability While Preserving Oral Commensal S. salivarius (2018)

Bacterial resistance to antibiotics and the disruption of beneficial microbiota are key problems in contemporary medicine and make the search for new, more efficient infection treatment strategies among the most important tasks in medicine. Multicomponent plant-derived preparations with mild antibacterial activity created by many simultaneous mechanisms together with anti-inflammatory, innate immune and regenerative capacity-stimulating properties are good candidates for this therapy, and proanthocyanidins are among the most promising compounds of this sort. In this study, we have isolated proanthocyanidins from <i>Pelargonium sidoides</i> DC root extract and characterized and compared the composition, antioxidant properties and antibacterial activity of the proanthocyanidin fraction with those of the whole extract. The results revealed that proanthocyanidins had significantly stronger antioxidant capacity compared to the root extract and exhibited a unique antibacterial action profile that selectively targets Gram-negative keystone periodontal and peri-implant pathogenic strains, such as <i>Porphyromonas gingivalis</i>, while preserving the viability of beneficial oral commensal <i>Streptococcus salivarius</i>. The finding suggests that proanthocyanidins from <i>Pelargonium sidoides</i> root extract are good candidates for the prolonged and harmless treatment of infectious diseases.
Inhibition of Renal Fibrosis by Gene Transfer of Inducible Smad7 Using Ultrasound-Microbubble System in Rat UUO Model (2003)

TGF-beta is a key mediator in renal fibrosis. Kidney-targeted gene therapy with anti-TGF-beta strategies is expected to have therapeutic potential, but this has been hampered by concerns over the safety and practicability of viral vectors and the inefficiency of nonviral transfection techniques. The present study explored the potential role of TGF-beta/Smad signaling in renal fibrosis in vivo and developed a safe and effective gene therapy to specifically block TGF-beta signaling and renal fibrosis in a rat unilateral ureteral obstruction (UUO) model by transferring a doxycycline-regulated Smad7 gene or control empty vectors using an ultrasound-microbubble (Optison)-mediated system. The Smad7 transgene expression was tightly controlled by addition of doxycycline in the daily drinking water. Groups of six rats were sacrificed at day 7, and the transfection rate, Smad7 transgene expression, and tubulointerstitial fibrosis including alpha-smooth muscle actin and collagen matrix mRNA and protein expression were determined. Compared with the non-ultrasound treatment, the combination of ultrasound with Optison largely increased the transfection rate of FITC-ODN and Smad7 transgene expression up to a 1000-fold, and this was found in all kidney tissues. Compared with normal rats, Smad7 expression within the UUO kidney was significantly reduced, and this was associated with up to a sixfold increase in Smad2 and Smad3 activation and severe tubulointerstitial fibrosis. In contrast, treatment with inducible Smad7 resulted in a fivefold increase in Smad7 expression with complete inhibition of Smad2 and Smad3 activation and tubulointerstitial fibrosis in terms of tubulointerstitial myofibroblast accumulation (85% downward arrow ) and collagen I and III mRNA and protein expression (60 to 70% downward arrow ). In conclusion, the ultrasound-mediated inducible Smad7 gene transfer is a safe, effective, and controllable gene therapy. TGF-beta-mediated renal fibrosis is regulated positively by Smad2/3, but negatively by Smad7. Target blockade of TGF-beta/Smad signaling by expression of Smad7 may provide a new therapeutic potential for renal fibrosis.
Genome Structures and Transcriptomes Signify Niche Adaptation for the Multiple-Ion-Tolerant Extremophyte Schrenkiella parvula (2014)

Schrenkiella parvula (formerly Thellungiella parvula), a close relative of Arabidopsis (Arabidopsis thaliana) and Brassica crop species, thrives on the shores of Lake Tuz, Turkey, where soils accumulate high concentrations of multiple-ion salts. Despite the stark differences in adaptations to extreme salt stresses, the genomes of S. parvula and Arabidopsis show extensive synteny. S. parvula completes its life cycle in the presence of Na⁺, K⁺, Mg²⁺, Li⁺, and borate at soil concentrations lethal to Arabidopsis. Genome structural variations, including tandem duplications and translocations of genes, interrupt the colinearity observed throughout the S. parvula and Arabidopsis genomes. Structural variations distinguish homologous gene pairs characterized by divergent promoter sequences and basal-level expression strengths. Comparative RNA sequencing reveals the enrichment of ion-transport functions among genes with higher expression in S. parvula, while pathogen defense-related genes show higher expression in Arabidopsis. Key stress-related ion transporter genes in S. parvula showed increased copy number, higher transcript dosage, and evidence for subfunctionalization. This extremophyte offers a framework to identify the requisite adjustments of genomic architecture and expression control for a set of genes found in most plants in a way to support distinct niche adaptation and lifestyles.
Mobile Element Scheduling with Dynamic Deadlines (2007)

Wireless networks have historically considered support for mobile elements's an extra overhead. However, recent research has provided the means by which a network can take advantage of mobile elements. Particularly in the case of wireless sensor networks, mobile elements can be deliberately built into the system to improve the lifetime of the network and act as mechanical carriers of data. The mobile element, whose mobility is controlled, visits the nodes to collect their data before their buffers are full. In general, the spatio-temporal dynamics of the sensed phenomenon may require sensor nodes to collect samples at different rates, in which case, some nodes need to be visited more frequently than others. This work formulates the problem of scheduling the mobile element in the network so that there is no data loss due to buffer overflow. The problem is shown to be NP-complete and an integer-linear-programming formulation is given. Finally, some computationally practical algorithms for a single mobile and for the case of multiple mobiles are presented and their performances compared
Front Matter: Volume 10109 (2017)

This PDF file contains the front matter associated with SPIE Proceedings Volume 10109, including the Title Page, Copyright information, Table of Contents, Introduction (if any), and Conference Committee listing.
Polarization-Dependent Optical Response in Anisotropic Nanoparticle–DNA Superlattices (2017)

DNA-programmable assembly has been used to prepare superlattices composed of octahedral and spherical nanoparticles, respectively. These superlattices have the same body-centered cubic lattice symmetry and macroscopic rhombic dodecahedron crystal habit but tunable lattice parameters by virtue of the DNA length, allowing one to study and determine the effect of nanoscale structure and lattice parameter on the light-matter interactions in the superlattices. Backscattering measurements and finite-difference time-domain simulations have been used to characterize these two classes of superlattices. Superlattices composed of octahedral nanoparticles exhibit polarization-dependent backscattering but via a trend that is opposite to that observed in the polarization dependence for analogous superlattices composed of spherical nanoparticles. Electrodynamics simulations show that this polarization dependence is mainly due to the anisotropy of the nanoparticles and is observed only if the octahedral nanoparticles are well-aligned within the superlattices. Both plasmonic and photonic modes are identified in such structures, both of which can be tuned by controlling the size and shape of the nanoparticle building blocks, the lattice parameters, and the overall size of the three-dimensional superlattices (without changing habit).
Effect of Preoxide on the Structure of Thermal Oxide (1995)

It is found from X-ray photoelectron spectroscopy study on the chemical structure of silicon dioxide, whose thickness is in the range of 1.2 nm to 8.6 nm, that the oxidation-induced chemical shift depends mainly on the distance, and that 0.4- and 0.6-nm-thick preoxide, which is formed in dry oxygen at 300° C, modifies the structure of oxide near the surface.
Effects of coadsorbed carbon monoxide on the surface diffusion of hydrogen on Ru(001) (1988)

The effects of coadsorbed carbon monoxide on the surface diffusion of hydrogen on Ru(001) were studied using laser-induced thermal desorption techniques. The surface mobility of hydrogen was measured as a function of CO surface coverage at 260 and 280 K. At both temperatures, the surface diffusion of hydrogen displayed an abrupt reduction at a coadsorbed CO coverage of ΘCO =0.12 ML. LEED studies revealed that a CO coverage of ΘCO =0.12 ML corresponded to the onset of the formation of ordered √3×√3 CO islands at 260 and 280 K. Temperature programmed desorption results demonstrated that a lateral repulsive interaction exists between hydrogen and carbon monoxide on Ru(001). Assuming that the lateral repulsive interaction leads to a hydrogen exclusion area around each CO admolecule, a hydrogen exclusion radius of rCO =2.2–2.7 Å was determined. The lateral repulsive interaction would also result in hydrogen exclusion from the interior of ordered √3×√3 CO islands and provide an explanation for the hydrogen surface diffusion results. According to this interpretation, the rigid √3×√3 CO islands obstruct the hydrogen surface diffusion pathways and thereby reduce the hydrogen surface mobility on Ru(001).
The effect of smoking on chronic inflammation, immune function and blood cell composition (2020)

Smoking is the number one risk factor for cancer mortality but only 15-20% of heavy smokers develop lung cancer. It would, therefore, be of great benefit to identify those at high risk early on so that preventative measures can be initiated. To investigate this, we evaluated the effects of smoking on inflammatory markers, innate and adaptive immune responses to bacterial and viral challenges and blood cell composition. We found that plasma samples from 30 heavy smokers (16 men and 14 women) had significantly higher CRP, fibrinogen, IL-6 and CEA levels than 36 non-smoking controls. Whole blood samples from smokers, incubated for 7 h at 37 °C in the absence of any exogenous stimuli, secreted significantly higher levels of IL-8 and a number of other cytokines/chemokines than non-smokers. When challenged for 7 h with E. coli, whole blood samples from smokers secreted significantly lower levels of many inflammatory cytokines/chemokines. However, when stimulated with HSV-1, significantly higher levels of both PGE<sub>2</sub> and many cytokines/chemokines were secreted from smokers' blood samples than from controls. In terms of blood cell composition, red blood cells, hematocrits, hemoglobin levels, MCV, MCH, MCHC, Pct and RDW levels were all elevated in smokers, in keeping with their compromised lung capacity. As well, total leukocytes were significantly higher, driven by increases in granulocytes and monocytes. In addition, smokers had lower NK cells and higher Tregs than controls, suggesting that smoking may reduce the ability to kill nascent tumor cells. Importantly, there was substantial person-to person variation amongst smokers with some showing markedly different values from controls and others showing normal levels of many parameters measured, indicating the former may be at significantly higher risk of developing lung cancer.
Improved Adhesion of Dense Silica Coatings on Polymers by Atmospheric Plasma Pretreatment (2013)

Oxygen atmospheric plasma was used to pretreat polycarbonate (PC) and stretched poly(methyl methacrylate) (PMMA) surfaces in order to enhance the adhesion of the dense silica coatings deposited by atmospheric plasma on the polymer substrates. The treatment time and chemical structure of the polymers were found to be important factors. For PC, a short treatment increased the adhesion energy, while longer treatment times decreased the adhesion. In contrast, plasma pretreatment monotonically decreased the adhesion of PMMA, and pristine PMMA exhibited much higher adhesion than the PC counterpart. We found that adhesion enhancement was achieved through improved chemical bonding, chain interdiffusion, and mechanical interlocking at the coating/substrate interface, after a short atmospheric plasma treatment. Decreased adhesion resulted from overoxidation and low-molecular-weight weak layer formation on the polymer surface by prolonged atmospheric plasma treatment. The dramatic differences in the behavior of PC and PMMA in relation to the plasma treatment time were due to their dissimilar resistance to atmospheric plasma exposure.
RBC-coupled tPA prevents cerebrovasodilatory impairment and tissue injury in pediatric cerebral hypoxia/ischemia through inhibition of ERK MAPK unregulation (2008)

Babies experience hypoxia (H) and ischemia (I) from stroke. The only approved treatment for stroke is fibrinolytic therapy with tissue-type plasminogen activator (tPA). However, tPA potentiates H/I-induced impairment of responses to cerebrovasodilators such as hypercapnia and hypotension, and blockade of tPA-mediated vasoactivity prevents this deleterious effect. Coupling tPA to RBCs reduces its CNS toxicity through spatially confining the drug to the vasculature. Mitogen activated protein kinase (MAPK), a family of at least 3 kinases, is upregulated after H/I. In this study we determined if RBC-tPA given before or after cerebral H/I would preserve responses to cerebrovasodilators and prevent neuronal injury mediated through the ERK MAPK pathway. Animals given RBC-tPA maintained responses to cerebrovasodilators at levels equivalent to pre-H/I values. CSF and brain parenchymal ERK MAPK was elevated by H/I and this upregulation was potentiated by tPA, but blunted by RBC-tPA. U 0126, an ERK MAPK antagonist, also maintained cerebrovasodilation post H/I. Neuronal degeneration in CA1 hippocampus and parietal cortex after H/I was exacerbated by tPA, but ameliorated by RBC-tPA and U 0126. These data suggest that coupling tPA to RBCs may offer a novel approach towards increasing the benefit/risk ratio of thrombolytic therapy for CNS disorders associated with H/I.
Metal-Aided Electrochemical Etching of Silicon for Ambient Red to Blue Photoluminescence (2001)

Ambient full-color photoluminescence from porous silicon has been realized through electrochemical etching aided by an &amp;amp;quot;oxidative&amp;amp;apos;&amp;amp;apos; metal such as Zn without any postanodizing treatment. The emission can be tuned to any wavelength in the visible range by simply changing anodizing current density from 20 to 100 mA/cm(2). The luminescence intensity is high enough that all colors are visible to naked eyes. Aging behavior of the red, green, and blue photoluminesence is also investigated over a three-month time span. While the pinning of the peak wavelength occurs with aging at a certain level for all the peaks, the blue emission always gets pinned at around 420 nm whether the initial emission is green or blue.
Infrared imaging using uncooled focal plane arrays of unreticulated 10- mu m potassium tantalum niobate films (1993)

Potassium tantalum niobate (KTN) films, 10- mu m thick, with a nominal Curie temperature of -20 degrees C were formed on polished platinum-coated sacrificial yttria substrates by metalorganic deposition (MOD). These KTN films were used to fabricate focal plane arrays consisting of 128*128 pixels with each pixel on 50- mu m centers and 50- mu m/sup 2/. Using f/1 optics and a 2.5-V/ mu m/sup 2/ detector bias, a noise equivalent temperature (NE Delta T) of 0.65 degrees C was obtained for the best 1% of the pixels when the detector and blackbody source operated at 25 degrees C.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>