gebhart/patrepeval huggingface dataset:
Novel Reactivity of Ruthenium Alkylidenes in Protic Solvents:  Degenerate Alkylidene Proton Exchange (2001)

A novel organometallic transformation is reported in which the alkylidene protons of water-soluble ruthenium alkylidenes 1 and 2 undergo nondestructive, degenerate exchange with solvent-derived deuterons in perdeuterated protic solvents such as D(2)O and CD(3)OD. Deuterated alkylidene complex (1-D) was isolated from a solution of alkylidene 1 in D(2)O, and the new alkylidene was fully characterized by (1)H, (2)H, (13)C, and (31)P NMR spectroscopy and fast-atom bombardment mass spectroscopy (FAB-MS). The rate of alkylidene proton exchange for this transformation was found to correlate with the bulk dielectric constant of the solvent or solvent mixtures employed. The data support a mechanism for proton exchange involving the dissociation of a chloride ion from the ruthenium metal center. The rate of alkylidene H/D exchange for alkylidene 2 was faster than the rate of exchange for alkylidene 1, demonstrating that relative rates of exchange are influenced by the electron densities at the metal centers of these complexes. Several additional ruthenium alkylidenes were found to undergo analogous alkylidene H/D exchange reactions, including parent alkylidene (Cy(3)P)(2)Cl(2)Ru=CHPh (3) in CD(2)Cl(2)/CD(3)OD mixtures. These data suggest that this novel reactivity may be general for an entire class of ruthenium alkylidenes provided that protic species are available in solution and that the dielectric constant of the reaction medium is sufficiently high to ionize the halide ligands.
Efficient Coded Cooperative Networks With Energy Harvesting and Transferring (2017)

In this paper, a multi-user multi-relay network with integrated energy harvesting and transferring (IEHT) strategy is studied. In our system, a simultaneous two-level cooperation, i.e., information- and energy-level cooperation is conducted for uplink data transmissions (from the users to a destination). Specifically, network coding is employed at the relays to facilitate the information-level cooperation; meanwhile, ET is adopted to share the harvested energy among the users for the energy-level cooperation. For generality purposes, the Nakagami-m fading channels that are independent but not necessarily identically distributed (i.n.i.d.) are considered. The problem of energy efficiency maximization under constraints of the energy causality and a predefined outage probability threshold is formulated and shown to be non-convex. By exploiting fractional and geometric programming, a convex form-based iterative algorithm is developed to solve the problem efficiently. Close-to-optimal power allocation and energy cooperation policies across consecutive transmissions are found. Moreover, the effects of relay locations, wireless energy transmission efficiency, battery capacity as well as the existence of direct links are investigated. The performance comparison with the current state of solutions demonstrates that the proposed policies can manage the harvested energy more efficiently.
A Simple Acoustic-Based Method for Lens-toSample Distance Adjustment in µLIBS (2020)

A cost-effective method employing a smartphone sensor to measure the laser-induced sound pressure level (SPL) has been introduced for lens-to-sample distance (LTSD) adjustment in micro laser-induced breakdown spectroscopy (μLIBS).
Defect of insulin receptor in insulin-resistant variants of Cloudman S91 mouse melanoma cells (1992)

To study the mechanisms by which insulin regulates proliferation, we have compared wild-type Cloudman melanoma cells, whose growth in inhibited by insulin (insinh) to variant lines that were genetically selected for resistance to insulin (insres). Scatchard analysis of insulin binding to five insres) lines and six insres variants revealed a marked reduction in the number of high-affinity binding sites for insulin in the insres lines, and insres lines displayed an abnormal beta-subunit of the insulin receptor. During autophosphorylation of the wheat germ agglutinin-purified receptor, the beta-subunit apparently underwent proteolytic degradation. This proteolysis was ATP-dependent and was prevented by bovine pancreatic trypsin inhibitor, and phenylmethylsulphonyl fluoride, but not by aprotinin or leupeptin. Receptor proteolysis was not observed in wild-type lines. The results suggest that insulin resistance in the mutant Cloudman melanoma cells is apparently due to proteolysis of the beta-subunit of insulin receptor which, in turn, alters insulin binding capacity of the cells and blocks their anti-proliferative response to the hormone.
Escape of Tick-Borne Flavivirus from 2′- <i>C</i> -Methylated Nucleoside Antivirals Is Mediated by a Single Conservative Mutation in NS5 That Has a Dramatic Effect on Viral Fitness (2017)

Tick-borne encephalitis virus (TBEV) causes a severe and potentially fatal neuroinfection in humans. Despite its high medical relevance, no specific antiviral therapy is currently available. Here we demonstrate that treatment with a nucleoside analog, 7-deaza-2'-<i>C</i>-methyladenosine (7-deaza-2'-CMA), substantially improved disease outcomes, increased survival, and reduced signs of neuroinfection and viral titers in the brains of mice infected with a lethal dose of TBEV. To investigate the mechanism of action of 7-deaza-2'-CMA, two drug-resistant TBEV clones were generated and characterized. The two clones shared a signature amino acid substitution, S603T, in the viral NS5 RNA-dependent RNA polymerase (RdRp) domain. This mutation conferred resistance to various 2'-<i>C</i>-methylated nucleoside derivatives, but no cross-resistance was seen with other nucleoside analogs, such as 4'-<i>C</i>-azidocytidine and 2'-deoxy-2'-beta-hydroxy-4'-azidocytidine (RO-9187). All-atom molecular dynamics simulations revealed that the S603T RdRp mutant repels a water molecule that coordinates the position of a metal ion cofactor as 2'-<i>C</i>-methylated nucleoside analogs approach the active site. To investigate its phenotype, the S603T mutation was introduced into a recombinant TBEV strain (Oshima-IC) generated from an infectious cDNA clone and into a TBEV replicon that expresses a reporter luciferase gene (Oshima-REP-luc2A). The mutants were replication impaired, showing reduced growth and a small plaque size in mammalian cell culture and reduced levels of neuroinvasiveness and neurovirulence in rodent models. These results indicate that TBEV resistance to 2'-<i>C</i>-methylated nucleoside inhibitors is conferred by a single conservative mutation that causes a subtle atomic effect within the active site of the viral NS5 RdRp and is associated with strong attenuation of the virus.<b>IMPORTANCE</b> This study found that the nucleoside analog 7-deaza-2'-<i>C</i>-methyladenosine (7-deaza-2'-CMA) has high antiviral activity against tick-borne encephalitis virus (TBEV), a pathogen that causes severe human neuroinfections in large areas of Europe and Asia and for which there is currently no specific therapy. Treating mice infected with a lethal dose of TBEV with 7-deaza-2'-CMA resulted in significantly higher survival rates and reduced the severity of neurological signs of the disease. Thus, this compound shows promise for further development as an anti-TBEV drug. It is important to generate drug-resistant mutants to understand how the drug works and to develop guidelines for patient treatment. We generated TBEV mutants that were resistant not only to 7-deaza-2'-CMA but also to a broad range of other 2'-<i>C</i>-methylated antiviral medications. Our findings suggest that combination therapy may be used to improve treatment and reduce the emergence of drug-resistant viruses during nucleoside analog therapy for TBEV infection.
Asymmetric Induction in the Wittig‐Still Rearrangement of Ethers Containing an Allylic Stereocenter – Diastereocontrol by Allylic Nitrogen (1990)

The stereochemistry of Wittig‐Still rearrangements under the influence of an allylic stereogenic center attached to Bn 2 N or RNBoc groups is studied. Rearrangements are subject to stereocontrol through asymmetric induction. Stannylated allyl ethers 13 with Z double bonds give syn‐configuration amino alcohols 15 exclusively (ds &gt;95 : &lt; 5 ‐ &gt; 99.8 : &lt; 0.2). Stannanes of E configuration 14 lead to 15 less selectively ( syn :anti = 46 : 54 ‐ 92 : 8). X‐ray structural data are provided for amino alcohol syn ‐ 15b and for the bis(carbamate) 17 .
Effect of Nanocrystallization Process on the Magnetomechanical Coupling in Fe-Si-B-Cu-Nb Alloy (1994)

Magnetic and magnetoelastic properties of the Fe73.5Si16.5B6Cu1Nb3 alloy change considerably during nanocrystallization process. Improvement of magnetic properties is accompanied by the decrease in piezomagnetic parameters such as magnetomechanical coupling and E-effect.
The Steering Approach for Multi-Criteria Reinforcement Learning (2001)

We consider the problem of learning to attain multiple goals in a dynamic environment, which is initially unknown. In addition, the environment may contain arbitrarily varying elements related to actions of other agents or to non-stationary moves of Nature. This problem is modelled as a stochastic (Markov) game between the learning agent and an arbitrary player, with a vector-valued reward function.
A 2F epicardial electrode–guided ablation from left coronary cusp for substrates of left ventricular summit tachycardia (2021)

The summit of the left ventricle (LV) is defined as the most superior potion of LV epicardium bounded by bifurcation between left anterior descending and left circumflex coronary artery.1 LV summit is bisected laterally by the great cardiac vein (GCV) dividing the triangular area into the superior portion, adjacent to the major coronary arteries, and the inferior portion, which is amenable for epicardial catheter ablation.2 Epicardial radiofrequency (RF) ablation either inside coronary veins or from the pericardial space using Sosa technique confers potential risk of vein perforation and/or major coronary artery injury.
RELATIONSHIP BETWEEN INITIAL POPULATION DENSITIES OF MELOIDOGYNE JAVANICA AND YIELD OF SUNFLOWER IN MICROPLOTS (1996)

The relationship between initial population densities (Pi) of Meloidogyne javanica and yield of sunflower was investigated in the field. Microplots were artificially infested with finely chopped nematode-infected tomato roots to give a range of initial population densities (Pi) of 0, o.125, 0.25, 0.5, 1, 2, 4, 8, 16, 32, 64, 128, 256 or 512 eggs and juveniles of M. javanica/cm³ soil. Tolerance limits (T) of 0.74, 0.45, 0.74 and 1.2 eggs and juveniles/cm³ soil were calculated for height, dry top weight, seed yield and see oil content, respectively. Minimum relative yields (m) of 0, 0, 0, and 0.7 were also calculated for height, dry top weight, seed yield and seed oil content, respectively. Maximum nematode reproduction rate (Pf/Pi) was 110.2 at lowest Pi and decreased with increasing nematode population density.
Identification of a General Anesthetic Binding Site in the Diacylglycerol-binding Domain of Protein Kinase Cδ (2004)

Protein kinase C (PKC) is an important signal transduction protein that has been proposed to interact with general anesthetics at its cysteine-rich diacylglycerol/phorbol ester-binding domain C1, a tandem repeat of C1A and C1B subdomains. To test this hypothesis, we expressed, purified, and characterized the high affinity phorbol-binding subdomain, C1B, of mouse protein kinase Cdelta, and studied its interaction with general anesthetic alcohols. When the fluorescent phorbol ester, sapintoxin-D, bound to PKCdelta C1B in buffer at a molar ratio of 1:2, its fluorescence emission maximum, lambda(max), shifted from 437 to 425 nm. The general anesthetic alcohols, butanol and octanol, further shifted lambda(max) of the PKCdelta C1B-bound sapintoxin-D in a concentration-dependent, saturable manner to approximately 415 nm, suggesting that alcohols interact at a discrete allosteric binding site. To identify this site, PKCdelta C1B was photolabeled with three photo-activable diazirine alcohol analogs, 3-azioctanol, 7-azioctanol, and 3-azibutanol. Mass spectrometry showed photoincorporation of all three alcohols in PKCdelta C1B at a stoichiometry of 1:1 in the labeled fraction. The photolabeled PKCdelta C1B was subjected to tryptic digest, the fragments were separated by online chromatography and sequenced by mass spectrometry. Each azialcohol photoincorporated at Tyr-236. Inspection of the known structure of PKCdelta C1B shows that this residue is situated adjacent to the phorbol ester binding pocket, and within approximately 10 A of the bound phorbol ester. The present results provide direct evidence for an allosteric anesthetic site on protein kinase C.
원저 : 단일광자방출단층촬영 영상에서 산란 및 감쇠 보정에 의한 절대방사능 측정 (1998)

Purpose: The pvrpose of this study was to evaluate the accuracy of radioactivity quantitation in Tc-99m SPECT by using combined scatter and attenuation correction. Materials and Methods: A cylindrical phantom which simulates tumors (T) and normal tissue (B) was filled with varying activity ratios of Tc-99m. We acquired emission scans of the phantom using a three-headed SPECT system (Trionix, Inc.) witb two energy windows (photopeak window: 126 154 keV and scatter window: 101 123 keV). We performed the scatter correction with dual-energy window subtraction method (k=0.4) and Chang attenuation correction. Three sets of SPECT images were reconstructed using combined scatter and attenuation correction (SC+AC'', attenuation correction (AC) and without any correction (NONE). We compared T/B ratio, irnage contrast [(T-B)/(T+B)) and absolute radioactivity with true values. Results: SC+AC images had the highest mean values of T/B ratios. Image contrast was 0.92 in SC+AC, which was close to the true value of 1, and higher than AC (0.77) or NONE (0.80). Errors of true activity by SPECT images ranged from 1 to 11% for SC+AC, 22-47% for AC, and 2 16% for NONE in a phantom which was located 2.4cm from the phantom surface. In a phantom located 10,0cm from the surface, SC+AC underestimated by ?4%, NON.E 40%. However, AC overestimated by 10%. Conclusion: We conclude that accurate SPECT activity quantitation of Tc-99m distribution can be achieved by dual window scatter correc.tion combined with attenuation correction. (Korean J Nucl Med 1998;32:382-90)
Identification of 90 NAFLD GWAS loci and establishment of NAFLD PRS and causal role of NAFLD in coronary artery disease (2021)

The prevalence of non-alcoholic fatty liver disease (NAFLD), now also known as metabolic dysfunction-associated fatty liver disease (MAFLD), is rapidly increasing worldwide due to the ongoing obesity epidemic. However, currently the NALFD diagnosis requires non-readily available imaging technologies or liver biopsy, which has drastically limited the sample sizes of NAFLD studies and hampered the discovery of its genetic component. Here we utilized the large UK Biobank (UKB) to accurately estimate the NAFLD status in UKB based on common serum traits and anthropometric measures. Scoring all individuals in UKB for NAFLD risk resulted in 28,396 NAFLD cases and 108,652 healthy individuals at a >90% confidence level. Using this imputed NAFLD status to perform the largest NAFLD genome-wide association study (GWAS) to date, we identified 94 independent (R<sup>2</sup> < 0.2) NAFLD GWAS loci, of which 90 have not been identified before; built a polygenic risk score (PRS) model to predict the genetic risk of NAFLD; and used the GWAS variants of imputed NAFLD for a tissue-aware Mendelian randomization analysis that discovered a significant causal effect of NAFLD on coronary artery disease (CAD). In summary, we accurately estimated the NAFLD status in UKB using common serum traits and anthropometric measures, which empowered us to identify 90 GWAS NAFLD loci, build NAFLD PRS, and discover a significant causal effect of NAFLD on CAD.
Experimental observation of tunable third-harmonic generation in a tellurite microstructured optical fiber (2015)

Third-harmonic generation (THG) in optical fibers is a third-order nonlinear process occurring from the third-order susceptibility χ(3), and has attracted extensive attention due to its potential application on spectroscopy [1], signal processing [2] and optical data storage, etc. [3]. Widely THG from ~567 to 902 nm was obtained when the tellurite microstructured optical fiber (TMOF) was pumped by an optical parametric oscillator (OPO) with the pump wavelength changing from ~1700 to 2700 nm. The mechanism of THG in this work was further investigated through the third-harmonic (TH) signal pattern, which was due to the high nonlinearity of the TMOF and the high pump power.
Cellular and molecular mechanisms of tissue protection by lipophilic calcium channel blockers (2006)

Long-acting third-generation dihydropyridine calcium channel blockers (CCBs) improve endothelial dysfunction and prevent cardiovascular events in humans, but their cellular and molecular mechanisms of tissue protection are not elucidated in detail. We assessed organ (renal) protection by the highly lipophilic CCB lercanidipine in a double-transgenic rat (dTGR) model with overexpression of human renin and angiotensinogen genes. We randomly treated dTGR with lercanidipine (2.5 mg/kg/day; n=20) or vehicle (n=20) for 3 wk. Furthermore, we explored the influence of lercanidipine on protein kinase C (PKC) signaling in vivo and in vitro using endothelial and vascular smooth muscle cell cultures. Cumulative mortality was 60% in untreated dTGR, whereas none of the lercanidipine-treated animals died (P<0.001). We found significantly less albuminuria and improved renal function in lercanidipine-treated dTGR (both P<0.05). Lercanidipine treatment also significantly (P<0.05) reduced blood levels of the endogenous NOS inhibitor asymmetric dimethylarginine. On histological examination, we observed significantly less tissue inflammation and fibrosis in lercanidipine-treated animals (both P<0.05). Lercanidipine significantly inhibited angiotensin (ANG) I-mediated PKC-alpha and -delta activation in vivo and in vitro, partly due to reduced intracellular calcium flux. As a result, lercanidipine improved endothelial cell permeability in vitro. Lercanidipine prevents tissue injury and improves survival in a model of progressive organ damage. These effects may result, at least in part, from inhibition of tissue inflammation as well as improved NO bioavailability. Modulation of PKC activity may be an important underlying intracellular mechanism.
Long-term outcomes of regenerative treatment by endoscopic oral mucosal epithelial cell sheet transplantation for the prevention of esophageal stricture after endoscopic resection (2022)

We reported the short-term outcomes of a regenerative medical treatment to prevent esophageal stricture after endoscopic submucosal dissection (ESD) using cultured tis oral mucosal epithelial cell sheets. This study investigated the long-term outcomes of this treatment. Epithelial cells, isolated from the patient's own oral mucosal tissue, were cultured for 16 days using temperature-responsive culture dishes. Then, the autologous cell sheets were endoscopically transplanted onto the bed of the esophageal ulcer after endoscopic mucosal resection (EMR) and ESD. Results of 10 patients who underwent endoscopic transplantation of oral mucosal epithelial cell sheets from April 2008 through February 2022 were recorded. We analyzed the outcome, the cause, and the endoscopic findings. The median period of observation was 3761 days. No stricture was detected in any of the patients long-term. Two patients died because of pancreatic cancer and brainstem hemorrhage. One patient underwent chemo-radiotherapy for further treatment. The patients underwent surgery due to metastasis to the lymph nodes. Only the lymph nodes were dissected, and the esophagus remained intact. From the endoscopic findings: Melanosis was found at the transplanted site in a patient. Strong iodine staining was shown at the transplanted site in a patient. Transplantation of cultured oral mucosal epithelial cell sheets to prevent esophageal stricture has been proven to be a safe treatment. All patients showed no controlled esophageal stricture in the long term. • Esophageal strictures after ESD require frequent endoscopic balloon dilatation. • Cultured oral mucosal epithelial cell sheet transplantation prevents this. • Long-term follow up of 10 patients for a median of 3761 days showed no strictures.
Clustering analyses in peptidomics revealed that peptide profiles of infant formulae are descriptive (2014)

Prompted by the accumulating evidence on bioactive moieties of milk-derived peptides, novel methods were applied to compare the peptide composition among commercially available hydrolysate formulations and to determine batch-to-batch variations of protein hydrolysate products. Despite the availability of general methods to measure, for example, the degree of hydrolysis and peptide mass distribution at a high level, the objective of this study was to more qualitatively compare peptide sequences and composition. By a comprehensive approach combining peptidomics technologies and multivariate clustering analyses, the peptide profiles of different hydrolyzed milk protein formulations were compared. Moreover, peptide profiles of various hydrolysate batches that had been produced over a period of 5 years were included. Coupling of identified peptide sequences to the position in their corresponding milk proteins produced numerical datasets that subsequently were utilized for multivariate data analyses. These analyses revealed that batch-to-batch variation in the peptide profiles of a specific extensively hydrolyzed casein preparation was low. Moreover, extensive multivariate evaluations revealed that the peptide profiles of different commercially available hydrolyzed milk protein formulations provided a descriptive and distinct signature. Overall, the described methodology may contribute to the field of peptide research as observed dissimilarities in peptide profiles of similar products may be related to differences in their overall functionality.
Shared Pathways of IκB Kinase-Induced SCF<sup>βTrCP</sup>-Mediated Ubiquitination and Degradation for the NF-κB Precursor p105 and IκBα (2001)

p105 (NFKB1) acts in a dual way as a cytoplasmic IkappaB molecule and as the source of the NF-kappaB p50 subunit upon processing. p105 can form various heterodimers with other NF-kappaB subunits, including its own processing product, p50, and these complexes are signal responsive. Signaling through the IkappaB kinase (IKK) complex invokes p105 degradation and p50 homodimer formation, involving p105 phosphorylation at a C-terminal destruction box. We show here that IKKbeta phosphorylation of p105 is direct and does not require kinases downstream of IKK. p105 contains an IKK docking site located in a death domain, which is separate from the substrate site. The substrate residues were identified as serines 923 and 927, the latter of which was previously assumed to be a threonine. S927 is part of a conserved DSGPsi motif and is functionally most critical. The region containing both serines is homologous to the N-terminal destruction box of IkappaBalpha, -beta, and -epsilon. Upon phosphorylation by IKK, p105 attracts the SCF E3 ubiquitin ligase substrate recognition molecules betaTrCP1 and betaTrCP2, resulting in polyubiquitination and complete degradation by the proteasome. However, processing of p105 is independent of IKK signaling. In line with this and as a physiologically relevant model, lipopolysaccharide (LPS) induced degradation of endogenous p105 and p50 homodimer formation, but not processing in pre-B cells. In mutant pre-B cells lacking IKKgamma, processing was unaffected, but LPS-induced p105 degradation was abolished. Thus, a functional endogenous IKK complex is required for signal-induced p105 degradation but not for processing.