gebhart/patrepeval huggingface dataset:
Radical cations of organic sulphides and disulphides formed by radiolysis: an electron spin resonance study (1984)

Exposure of dilute solutions of various organic sulphides in fluorotrichloromethane at 77 K to 60Co γ-rays gave species identified by their e.s.r. spectra as the parent radical cations. The average β-proton coupling (R2CHSR)+ of ca. 20 G is about half that for the corresponding ether cations, indicating greatly reduced σ-π delocalisation. However, the spread of g-values (ca. 2.032, 2.015, 2.00) is much greater than that for the ether cations. These cations readily react with other disulphide molecules to form (R2S[graphic ommitted]S2)+ dimer cations. The spectrum for tetrahydrothiophene (tetramethylene sulphide) exhibits a large coupling to two axial protons (ca. 42 G) and two equatorial protons (ca 19 G), the coupling constants again being about half those for tetrahydrofuran cations. However, conformational inversion did not occur below the softening point of the solids (ca. 160 K) in marked contrast with the ether cations. The three-and four-membered ring cations (ethylene and trimethylene sulphide cations) gave very similar spectra with gX=gY, and four equivalent protons having an isotropic coupling of ca. 31G. Thus their structures are similar to the normal R2S·+ cations, the equivalence of the g-values being interpreted in terms of effective C–Ŝ–C bond angles (θ) close to 90°. This, in turn, implies that θ >90° for the unconstrained cations. It is noteworthy that the ethylene oxide (oxirane) cation exhibits a smaller coupling to its four protons (16 G). This implies a drastic change in structure for the oxirane cation which is clearly not the case for the sulphur analogue. Disulphides of structure R-S-CH2-S-R form cyclic σ* radicals with weak S-S bonding, in marked contrast with the oxygen analogues (acetal cations) which have π-structures conferring very high spin-density onto the CH2 protons. Other molecules containing two RSR units form similar cyclic σ* radicals. Persulphides of structure RS-SR readily give the π-cations (RS˙S)+, characterised by g-values in the region of 2.035, 2.018, 2.002. The smaller range of g values for (PhS[graphic ommitted]SPh)+ cations is interpreted in terms of ca. 30% spin-delocalisation into both the benzene rings.
936-P: Plasma Proteomic Profiling Delineates Treatment Efficacy of a GLP-1/GIP Coagonist in Female and Male Mice (2020)

Objective: Polypharmacotherapy shows superior efficacy compared to monotherapy in correcting obesity and its co-morbidities in preclinical studies and clinical trials. Female organisms have been traditionally neglected in this research potentially contributing to an increased rate of adverse advents in women. To address this disparity we herein determined the efficacy of our monomeric peptide with a balanced agonism at the receptors for glucagon-like peptide 1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP) to correct obesity, glucose metabolism, nonalcoholic fatty liver disease (NAFLD) and dyslipidemia in both sexes of a mouse model for diet-induced obesity (DIO) by combining physiological treatment endpoints with plasma proteomic profiling (PPP), a new unbiased diagnostic tool for the efficacy and optimization of pharmacological interventions. Methods: We performed metabolic phenotyping along with PPP in body weight matched male and female DIO mice treated for 21 days with either PBS, the single GIP and GLP-1 monoagonists, or our GLP-1/GIP coagonist. Results: GLP-1R/GIPR coagonism improved obesity, glucose intolerance, NAFLD and dyslipidemia with superior efficacy in both male and female mice compared to monoagonist treatments. PPP revealed in both sexes broader changes of plasma proteins after GLP-1/GIP coagonist compared to monoagonist treatments, including established and novel biomarkers for systemic inflammation, NAFLD and atherosclerosis. Subtle sex-specific differences have been observed in metabolic phenotyping and PPP. Conclusions: We herein report enhanced efficacy of our GLP-1/GIP coagonist in both sexes relative to monoagonists for the treatment of metabolic disease. Wider sex-specific reductions of circulating proteins after GLP-1/GIP coagonist treatment may reflect additional metabolic benefits that are currently achieved exclusively after bariatric surgery. Disclosure S.M. Hofmann: Advisory Panel; Spouse/Partner; Novo Nordisk A/S. N.J. Wewer Albrechtsen: Research Support; Self; Mercodia, Novo Nordisk A/S, Novo Nordisk Foundation. Speaker’s Bureau; Self; Merck Sharp &amp; Dohme Corp. M.H. Tschöp: Advisory Panel; Self; ERX Pharmaceuticals, Novo Nordisk Foundation. A. Feuchtinger: None. M. Brielmeier: None. B. Finan: Employee; Self; Novo Nordisk A/S. R. DiMarchi: Employee; Self; Novo Nordisk Inc. M. Kleinert: None. S. Sachs: None. T.D. Müller: Research Support; Self; Novo Nordisk Inc., Sanofi-Aventis. K. Stemmer: None. M. Mann: None.
The ethyl radical: Photoionization and theoretical studies (1989)

The ethyl radical has been produced by the F+C2H6 reaction, and studied by photoionization mass spectrometry. The adiabatic ionization potential (IP) is found to be 8.117±0.008 eV. The radical and cation have been studied by the G1 level of molecular orbital theory. The calculated adiabatic ionization potential is 8.06 eV. On the basis of both experiment and theory, it is concluded that the cation in its ground state has a bridged structure. The adiabatic value resolves a previous inconsistency involving ΔH○f(C2H5), ΔH○f(C2H+5) and IP (C2H5). Broad autoionizing structures are observed at higher energy. These features can be rationalized as Rydberg states converging to the first excited state 3A″ calculated to be at 12.05 eV.
Oxygenation pattern and compensatory responses to hypoxia and hypercapnia following bilateral carotid body resection in humans (2021)

Carotid body resection has been proposed as a novel treatment for sympathetically mediated diseases but the safety of bilateral carotid body resection (bCBR) for blood oxygenation during hypoxic stress (long-haul flights or high altitude) remains uncertain. Also unknown is whether central ventilatory drive is sufficient to maintain adequate oxygen saturation when exposed to hypercapnia with concomitant hypoxia. Thus, we administered: 15% O<sub>2</sub> , 12% O<sub>2</sub> , 5% CO<sub>2</sub> /12% O<sub>2</sub> and 5% CO<sub>2</sub> /95% O<sub>2</sub> to a group of four patients with congestive heart failure (65 ± 2.9 years) in whom bCBR was performed 5 years earlier. Ventilatory, haemodynamic and blood oxygen saturation ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>S</mml:mi><mml:mrow><mml:mi>p</mml:mi><mml:msub><mml:mi>O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:msub></mml:math> ) responses were recorded non-invasively and compared to control groups with intact peripheral chemoreceptors (both healthy and heart failure patients). First, we confirmed that the ventilatory response to hypoxia was eliminated in patients with bCBR, although the increase in cardiac output was preserved. Second, administration of hypoxic gas mixtures resulted in a larger decrease in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>S</mml:mi><mml:mrow><mml:mi>p</mml:mi><mml:msub><mml:mi>O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:msub></mml:math> and greater short-term variability of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>S</mml:mi><mml:mrow><mml:mi>p</mml:mi><mml:msub><mml:mi>O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:msub></mml:math> leading to a lower minimal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>S</mml:mi><mml:mrow><mml:mi>p</mml:mi><mml:msub><mml:mi>O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:msub></mml:math> for both hypoxia levels in the bCBR group compared to heart failure controls (82.5 ± 1.2% vs. 91.6 ± 2.3% for 15% O<sub>2</sub> and 73.8 ± 4.0% vs. 83.7 ± 3.1% for 12% O<sub>2</sub> ). Third, in bCBR patients the ventilatory response to hypercapnia was present and sufficient to maintain a minimal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>S</mml:mi><mml:mrow><mml:mi>p</mml:mi><mml:msub><mml:mi>O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:msub></mml:math> at a level comparable to heart failure controls following administration of 5% CO<sub>2</sub> /12% O<sub>2</sub> (88.7 ± 4.2% vs. 91.1 ± 2.8%). We conclude that bCBR carries a risk of significant oxygen desaturation even during mild hypoxia. Despite preservation of central chemosensitivity, future studies should focus on unilateral CBR or on pharmacological modulation of peripheral chemosensitivity.
ChemInform Abstract: A Highly Efficient Synthesis of Triisopropylsilyldifluorobromopropyne Yields a Versatile gem‐Difluoromethylene Building Block. (2000)

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.
In Vivo Evaluation of a Liquid Topical Antimicrobial for the Treatment of Burn Wound Infection (2006)

Experience in ongoing conflicts confirms the high health care burden that is associated with treating not only U.S. military personnel, but also from treating foreign nationals who can not be evacuated from the theater of operations. In order to lower the burden on deployed health care facilities, an easy to apply liquid antimicrobial therapy with efficacy similar to that of FDA approved topical creams is desired. Here we report the results from testing of one such candidate liquid antimicrobial, Proprietary Antimicrobial Compound (PAC). The antimicrobial solution was obtained from the manufacturer as a 10% solution. 5% and 1% solutions were prepared by dilution with sterile water. These solutions were then assessed using the Walker-Mason Scald model. Anesthetized male Sprague-Dawley rats received a 4 by 10 cm full thickness scald wound, which was then inoculated with 107 CFU of P. aeruginosa 1244 (lux). Animals were then treated with 1.5ml of the appropriate test article applied with a pipette and sterile cotton swab once a day for 10 days. Mortality from sepsis was compared between test groups and untreated controls using Fisher's Exact Test. Additional data including luminescent imaging of bacteria and wound healing were collected.
Algorithm-Driven Advances for Scientific CT Instruments: From model-based to deep learning-based approaches (2021)

Multiscale 3D characterization is widely used by materials scientists to further their understanding of the relationships between microscopic structure and macroscopic function. Scientific computed tomography (SCT) instruments are one of the most popular choices for 3D nondestructive characterization of materials at length scales ranging from the angstrom scale to the micron scale. These instruments typically have a source of radiation (such as electrons, X-rays, or neutrons) that interacts with the sample to be studied and a detector assembly to capture the result of this interaction (see <xref ref-type="fig" rid="fig1">Figure 1</xref>). A collection of such high-resolution measurements is made by reorienting the sample, which is mounted on a specially designed stage/holder after which reconstruction algorithms are used to produce the final 3D volume of interest. The specific choice of which instrument to use depends on the desired resolution and properties of the materials being imaged. The end goal of SCT scans includes determining the morphology, chemical composition, or dynamic behavior of materials when subjected to external stimuli. In summary, SCT instruments are powerful tools that enable 3D characterization across multiple length scales and play a critical role in furthering the understanding of the structure&#x2013;function relationships of different materials.
ACHIKO-M Database for high myopia analysis and its evaluation (2014)

Myopia is the leading public health concern with high prevalence in developed countries. In this paper, we present the ACHIKO-M fundus image database with both myopic and emmetropic cases for high myopia study. The database contains 705 myopic subjects and 151 normal subjects with both left eye and right eye images for each subject. In addition, various clinical data is also available, allowing correlation study of different risk factors. We evaluated two state-of-the-art automated myopia detection algorithms on this database to show how it can be used. Both methods achieve more than 90% accuracy for myopia diagnosis. We will also discuss how ACHIKO-M can be a good database for both scientific and clinical research of myopia.
Direct Observation of Enantiomorphous Monolayer Crystals from Enantiomers by Scanning Tunneling Microscopy (1996)

The formation of chiral structures from achiral or racemic components is of great interest because of its implications, for example, for the origin of biological chirality. Monolayers of racemic molecules can form chiral structures, but the precise origin of these structures has been unclear. Images of both enantiomers (that of the (S) enantiomer is shown on the right) and the racemate of a liquid crystal obtained by scanning tunneling microscopy present strong evidence that the racemate forms domains of enantiomerically pure molecules.
Enantioselective Conjugate Silyl Additions to Cyclic and Acyclic Unsaturated Carbonyls Catalyzed by Cu Complexes of Chiral N-Heterocyclic Carbenes (2010)

An efficient Cu-catalyzed protocol for enantioselective addition of a dimethylphenylsilanyl group to a wide range of cyclic and acyclic unsaturated ketones, esters, acrylonitriles, and alpha,beta,gamma,delta-dienones is disclosed. Reactions are performed in the presence of 1-2 mol % of commercially available and inexpensive CuCl, a readily accessible monodentate imidazolinium salt, and commercially available (dimethylphenylsilyl)pinacolatoboron. Cu-catalyzed enantioselective conjugate additions proceed to completion within only 2 h to afford the desired silanes in 87-97% yield and 90:10-99:1 enantiomeric ratio (er). Use of a proton source (e.g., MeOH) is not required; accordingly, synthetically versatile alpha-silyl boron enolates can be obtained. The special utility of the present protocol, in comparison with the related catalytic enantioselective aldol and boronate conjugate additions, is discussed and illustrated through various functionalizations of the enantiomerically enriched beta-silylcarbonyls.
ChemInform Abstract: AlCl3‐Catalyzed trans N‐Acylation of Acetanilides with α‐Chloropropionyl Chloride. (1999)

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.
NeuroView: Explainable Deep Network Decision Making (2021)

Deep neural networks (DNs) provide superhuman performance in numerous computer vision tasks, yet it remains unclear exactly which of a DN's units contribute to a particular decision. NeuroView is a new family of DN architectures that are interpretable/explainable by design. Each member of the family is derived from a standard DN architecture by vector quantizing the unit output values and feeding them into a global linear classifier. The resulting architecture establishes a direct, causal link between the state of each unit and the classification decision. We validate NeuroView on standard datasets and classification tasks to show that how its unit/class mapping aids in understanding the decision-making process.
Incentivized cellular offloading via auctions (2012)

The explosive growth of cellular traffic and its highly dynamic nature often make it prohibitive or even infeasible for a cellular service provider to provision enough cellular resources to support the peak traffic demands. The current best practice is to have the cellular service provider deploy alternative wireless technologies, such as Wi-Fi and Femtocells, on its own to complement the cellular network. However, this is not a viable long-term solution due to its high cost and the problem of wireless interference.
Deep Level Traps in GaN Epilayer and LED (2017)

This chapter reviews the origin and characterization of electrically active deep level traps in GaN material and LED. In n-GaN, three levels EC – 0.25 eV, EC – 0.60 eV, and EC – 0.90 eV are most commonly revealed by DLTS and EC – 1.25 eV, EC – 2.6 eV, and EC – 3.28 eV are most commonly seen by DLOS. The levels EC – 0.60 eV and EC – 1.25 eV are dislocation-related levels. In GaN LED, DLOS is a more useful technique than DLTS because DLOS investigates near-mid gap levels in GaN. In fact, a combination of DLOS and lighted capacitance–voltage measurement realizes the defect density in each quantum well (QW) and quantum barrier (QB) of the GaN LED. Deep level traps within the first QW are highest in density.
Nonconventional Carbon Additions to Azomethines. Aryl Amination/Indoline Synthesis by Direct Aryl Radical Addition to Azomethine Nitrogen. (2001)

Abstract For Abstract see ChemInform Abstract in Full Text.
Advances in the treatment of neuronal ceroid lipofuscinosis (2019)

Much progress has been made in the treatment of neurologic diseases, such as the NCLs, including better animal models and improved therapeutics with better survival outcomes. Encouraging results are being reported at symposiums and in the literature, with multiple therapeutics reaching the clinical trial stage for the NCLs. The potential for a cure could be at hand after many years of trial and error in the preclinical studies. The clinical development of enzyme replacement therapy (Brineura<sup>®</sup> for CLN2), immunosuppression (CellCept<sup>®</sup> for CLN3), and gene therapy vectors (for CLN1, CLN2, CLN3, and CLN6) are providing encouragement to families that have a child afflicted with NCL. We believe that successful therapies in the future may involve the combination of two or more therapeutic modalities to provide therapeutic benefit especially as the patients grow older.
Altered Lipid Tumor Environment and Its Potential Effects on NKT Cell Function in Tumor Immunity (2019)

Natural killer T (NKT) cells are CD1d restricted T cells that mostly recognize lipid antigens. These cells share characteristics with both adaptive and innate immune cells and have multiple immunoregulatory roles. In a manner similar to innate immune cells, they respond quickly to stimuli and secrete large amounts of cytokines, amplifying and modulating the immune response. As T cells, they express T cell receptors (TCRs) and respond in an antigen-specific manner like conventional T cells. There are at least two subtypes of NKT cells, type I and type II, that differ in the nature of their TCR, either semi-invariant (type I) or diverse (type II). The two sub-types generally have opposing functions in tumor immunity, with type I promoting and type II suppressing tumor immunity, and they cross-regulate each other, forming an immunoregulatory axis. The tumor has multiple mechanisms by which it can evade immune-surveillance. One such mechanism involves alteration in tumor lipid repertoire and accumulation of lipids and fatty acids that favor tumor growth and evade anti-tumor immunity. Since NKT cells mostly recognize lipid antigens, an altered tumor lipid metabolic profile will also alter the repertoire of lipid antigens that can potentially affect their immune-modulatory function. In this review, we will explore the effects of alterations in the lipid metabolites on tumor growth, antigen cross-presentation, and overall effect on anti-tumor immunity, especially in the context of NKT cells.
Frequent genetic heterogeneity in the clonal evolution of gynecological carcinosarcoma and its influence on phenotypic diversity. (2000)

Carcinosarcomas of the uterus, ovaries, and fallopian tubes are highly aggressive neoplasms with incompletely understood histogenesis. Although recent immunohistochemical, cell culture, and molecular genetic studies all favor these cancers to be monoclonal in origin, the extent of intratumoral genetic heterogeneity in these tumors with divergent histology has not been reported previously. For this study, we microdissected a total of 172 carcinomatous or sarcomatous foci from 17 gynecological carcinosarcomas and analyzed allelic status with 41 microsatellite markers on chromosomal arms 1p, 1q, 3p, 4q, 5q, 6q, 8p, 9p, 10q, 11p, 11q, 13q, 16q, 17p, 17q, 18q, and 22q. With the exception of a single case with microsatellite instability, we found shared allelic losses and retentions among multiple individually dissected foci of each case, strongly supportive of the concept of a monoclonal origin for these neoplasms. In eight of these cases, we also found heterogeneous patterns of allelic loss at limited numbers of chromosomal loci in either the carcinomatous or sarcomatous components of the neoplasms. These heterogeneous patterns of allelic losses were consistent with either genetic progression or genetic diversion occurring during the clonal evolution of these neoplasms. In two cases, we found the specific patterns of genetic progression to be consistent with sarcomatous components of the neoplasms arising from carcinomatous components. We conclude that most of the gynecological carcinosarcomas have a monoclonal origin, and that genetic progression and diversion parallel the development of divergent phenotypes in these tumors. Because phenotypically divergent areas of the tumors share numerous genetic alterations, this divergence most likely occurs relatively late in the evolution of these tumors.
Identification and Characterization of a T-Helper Peptide from Carcinoembryonic Antigen (2004)

CEA (625-639) might be a relevant promiscuous THd peptide for cancer therapy.
Synthesis of 2‐aryl‐3‐trifluoromethylsulfonylpyrroles (1995)

Abstract A general method for the preparation of 2‐aryl‐3‐trifluoromethylsulfonylpyrroles 2 has been developed. Procedures for the construction of the key enamine intermediates 9 and their cyclizations to pyrroles are reported.
NF-κB Links TLR2 and PAR1 to Soluble Immunomodulator Factor Secretion in Human Platelets (2017)

The primary toll-like receptor (TLR)-mediated immune cell response pathway common for all TLRs is MyD88-dependent activation of NF-κB, a seminal transcription factor for many chemokines and cytokines. Remarkably, anucleate platelets express the NF-κB machinery, whose role in platelets remains poorly understood. Here, we investigated the contribution of NF-κB in the release of cytokines and serotonin by human platelets, following selective stimulation of TLR2 and protease activated receptor 1 (PAR1), a classical and non-classical pattern-recognition receptor, respectively, able to participate to the innate immune system. We discovered that platelet PAR1 activation drives the process of NF-κB phosphorylation, in contrast to TLR2 activation, which induces a slower phosphorylation process. Conversely, platelet PAR1 and TLR2 activation induces similar ERK1/2, p38, and AKT phosphorylation. Moreover, we found that engagement of platelet TLR2 with its ligand, Pam3CSK4, significantly increases the release of sCD62P, RANTES, and sCD40L; this effect was attenuated by incubating platelets with a blocking anti-TLR2 antibody. This effect appeared selective since no modulation of serotonin secretion was observed following platelet TLR2 activation. Platelet release of sCD62P, RANTES, and sCD40L following TLR2 or PAR1 triggering was abolished in the presence of the NF-κB inhibitor Bay11-7082, while serotonin release following PAR1 activation was significantly decreased. These new findings support the concept that NF-κB is an important player in platelet immunoregulations and functions.