gebhart/patrepeval huggingface dataset:
Generation of a Small Library of Highly Electron‐Rich 2‐(Hetero)Aryl‐Substituted Phenethylamines by the Suzuki−Miyaura Reaction: A Short Synthesis of an Apogalanthamine Analogue (2004)

Abstract The Suzuki−Miyaura reaction is presented as a versatile procedure for the synthesis of a small library of highly electron‐rich 2‐[4,5‐dimethoxy‐2‐(hetero)arylphenyl]ethylamines. Microwave‐irradiation accelerates the reaction tremendously and furnishes superior yields. The difficult oxidative addition of the catalyst to a highly electron‐rich and ortho ‐substituted system could be performed easily, and the proto‐deboronation during cross‐coupling reactions involving the highly electron‐withdrawing (2‐formylphenyl)boronic acid could be minimized. Enhanced yields and complete compatibility with aqueous conditions were found. This strategy was developed en route towards the synthesis of an apogalanthamine analogue. (© Wiley‐VCH Verlag GmbH &amp; Co. KGaA, 69451 Weinheim, Germany, 2004)
Interaction of Cinchonidine and 1-Phenyl-1,2-Propanedione on the Surface of a Chirally Modified Pt/Al2O3 Hydrogenation Catalyst (2007)

Enantioselective hydrogenation of 1-phenyl-1,2-propanedione (PPD) over cinchona-modified oxide-supported platinum catalysts represents an extension to the well-known Orito reaction with methyl and ethyl pyruvates (EtPy) as typical substrates for the asymmetric reduction. In this paper, the adsorption of PPD and cinchonidine on a Pt catalyst was studied by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The catalyst preparation and the adsorption of the reactant and modifier were carried out according to the procedure generally used in catalysis under actual reaction conditions. The catalysts with adsorbed species were analyzed ex situ. The selective deposition of cinchonidine and PPD on the metal surface was confirmed by parallel experiments with alumina samples and by analyzing the platinum adsorption sites with carbon monoxide as a probe molecule. Among the IR visible adsorbed species, η1(O2)-configuration of PPD was found as the most populated on Pt surface under the conditions of ex situ measurements. New data on the mutual interactions among cinchonidine, PPD, and the Pt catalyst are presented. Tilted π-bonded cinchonidine was detected on the surface under the modifier concentration profile used for obtaining high enantioselectivity in the hydrogenation of PPD. Hydrogen bonding between adsorbed cinchonidine and PPD was also detected.
ATIM-20. GAPVAC-101 TRIAL OF A HIGHLY PERSONALIZED PEPTIDE VACCINATION FOR PATIENTS WITH NEWLY DIAGNOSED GLIOBLASTOMA (2018)

There is a need for treatment personalization as every cancer is molecularly unique. In addition glioblastoma (GB) are immunologically regarded as resistant, cold tumor with few targetable antigens available from mutations, thus demanding new personalized immunotherapies. So far outside Neuro-Oncology, T cells orchestrate impressive anti-tumor effects with checkpoint inhibitors, but also vaccines. The GAPVAC consortium established an immunotherapy, for which personalized selection of 2 peptide-based actively personalized vaccines (APVAC) per patient for treatment of newly diagnosed GB was based not only on whole-exome sequencing but also on human leukocyte antigen (HLA)-ligandome analyses providing insight into the actual presentation of relevant epitopes in the tumor. GAPVAC-101 (NCT02149225) enrolled 16 patients in a European phase I feasibility, safety and immunogenicity trial integrated into standard of care. For APVAC1, up to 7 peptides were selected from a trial specific warehouse based on individual biomarker data. Vaccination (i.d.) with GM-CSF and poly-ICLC in 15 patients started with the 1st adjuvant cycle of temozolomide (TMZ). For APVAC2, analyses revealed a median of 36 somatic, non-synonymous mutations in the patients tumors. From the 4th TMZ cycle, 11 patients received APVAC2 with usually 2 de novo antigens per patient selected according to mutation, actual or putative HLA presentation and immunogenicity. Overall 20 APVAC2 antigens incl. 14 mutated were vaccinated. Adverse events were largely reversible injection site reactions and two anaphylactic reactions and one increase in cerebral edema. Short, non-mutated APVAC1 antigens induced sustained CD8 responses with memory phenotype. Mutated APVAC2 antigens induced predominantly CD4 responses of favorable TH1 type. Median PFS and OS were 14.2 and 29 months from diagnosis, respectively, in patients that received 1 APVAC vaccination (N=15). CONCLUSION: Overall, GAPVAC displayed expected safety profiles and high biological activity indicating further development.
Simulation of a pilot‐scale dual‐fluidized‐bed gasifier for biomass (2014)

A dual‐fluidized‐bed gasifier was constructed and operated at the Woodland Biomass Research Center in Woodland, CA. The pilot‐scale gasifier had a capacity of 5 tons/day of feedstock and was based on the Pyrox process developed by Kunii et al. In this system, the fluidized‐bed combustion process with air is separated from the biomass gasification process with steam and recycle gas. This decreases the nitrogen content in the producer gas. The heat released in the combustion of the char is transported by a ceramic bed material circulating between the combustor and gasifier. Commercial wood pellets were used as feedstock for the present study. Gas composition, temperatures, and pressures were measured to characterize the operation of the gasifier. A positive feature of the system was the high circulation rate and efficient energy transfer between the combustor and gasifier. Analysis of the system was performed using Aspen Plus™ software to calculate mass and energy‐balances. A restricted equilibrium model for the producer‐gas composition agreed reasonably well with the measured non‐equilibrium gas composition for most gases. The restricted equilibrium model over‐predicted the H 2 concentrations. A more complex rate‐based kinetic model would be necessary to fully capture the details of the non‐equilibrium gas composition in this pilot‐scale gasifier. © 2014 American Institute of Chemical Engineers Environ Prog, 33: 732–736, 2014
Abstract 3731: A novel heat shock protein 90-targeted photosensitizer (HS-201) enables enhanced tumor-specific photodynamic therapy of inflammatory breast cancers (2019)

Background: Photodynamic therapy (PDT) is an effective local anti-cancer modality applied for the treatment of early stage disease and palliation of advanced disease, and could be used in managing inflammatory breast cancer (IBC). Although PDT can be focused by limiting the area of near infrared (nIR) light exposure, normal tissue injury due to the photosensitizer (PS) uptake by non-tumor tissues remains a barrier to broader applicability. We reported that selective delivery of a compound to malignant cells by exploiting their heat shock protein 90 (Hsp90) activity could be used for imaging breast cancers. This work was extended by the development of an Hsp90 targeted PS (HS201), in which a well characterized PS, verteporfin (VP), has been chemically tethered to a small molecule Hsp90 inhibitor and assessed the tumor-specificity and antitumor efficacy of HS201-based PDT (HS201-PDT).Methods & Results: HS201 was taken up by human breast cancer cell lines, including IBC in vitro more readily than VP, resulting in increased tumor killing in vitro after exposure to a laser with a 690 nm wavelength. The in vivo selectively of HS201 uptake in tumor tissue was confirmed in both human breast cancer xenograft models and spontaneous tumors from HER2-transgenic mice. HS201 accumulation in the tumor was dramatically enhanced after the first laser exposure due to the feed forward increase in Hsp90 expression in the treated tumor cells, and thus a repeated laser exposure was conducted to enhance antitumor effects. This strategy enhanced antitumor effects, as MDA-MB-231 tumors implanted into SCID-beige mice responded to HS201-PDT but not to VP-PDT. Human xenograft breast cancer cell lines, including the IBC cell lines SUM149 and KPL-4, as well as non-IBC cell line BT474M1 and the patient-derived breast cancer xenograft HCI-013, were also tested in SCID-beige mice and demonstrated significantly suppressed tumor growth by HS201-PDT.Conclusions: HS201 showed selective uptake and longer retention by tumor cells, including IBC, especially when the tumors were exposed to local laser treatment. Due to the advantage of this feed-forward control of HS201 distribution, HS201-PDT demonstrated superior anti-tumor effects compared to VP-PDT against various human breast cancer xenografts in mice. These results suggest that HS201-PDT may be used in managing IBC, and may have an important role in anti-cancer therapy.Citation Format: Kensuke Kaneko, Takuya Osada, Philip F. Hughes, Timothy A. Haystead, Michael A. Morse, Herbert K. Lyerly. A novel heat shock protein 90-targeted photosensitizer (HS-201) enables enhanced tumor-specific photodynamic therapy of inflammatory breast cancers [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2019; 2019 Mar 29-Apr 3; Atlanta, GA. Philadelphia (PA): AACR; Cancer Res 2019;79(13 Suppl):Abstract nr 3731.
Structure-Related Electrochemistry of Sulfur-Poly(acrylonitrile) Composite Cathode Materials for Rechargeable Lithium Batteries (2011)

The structure of sulfur-poly(acrylonitrile)-based Li-sulfur batteries is elucidated and correlated with the electrochemical performance of such devices. Apart from the poly(acrylonitrile)-derived backbone, thioamide as well as poly(sulfide) structures are proposed. Furthermore, the intermediary formation of S8 during cycling and the role of the electrolyte in its reintegration during charging into are addressed. In summary, a comprehensive picture of the chemistry and electrochemistry of Li-sulfur batteries is presented.
Incoherent ultrasonic imaging system (1975)

Fundamental construction and some experimental results of incoherent ultrasonic imaging systems are presented. A means for the generation of incoherent ultrasonic fields, a proper scanning method of receivers for the detection of coherence functions, and methods of signal processing for the reconstruction of images from the detected coherence functions are proposed and their properties are discussed theoretically. A concrete system based on these discussions is constructed. The experimental results show the usefulness of the proposed system, though the experiments are carried out only for one-dimensional objects. Moreover, as an example for showing the special feature of the system, it is applied to imaging in a turbulent medium. The effectiveness of the method is illustrated by comparing the result with that of a holographic imaging system. Subject Classification: 35.65; 60.30.
Prevention of Human Rhinovirus Infection by Multivalent Fab Molecules Directed against ICAM-1 (2003)

We have developed a technology for improving avidity by making bivalent, trivalent, or tetravalent recombinant polypeptides. We designed tripartite proteins consisting of the Fab fragment of an antibody fused with a hinge derived from human immunoglobulin D that was further linked to polymerization domains derived from human coiled-coil proteins. We report here on the application of this method with a Fab domain directed against the major human rhinovirus receptor, intercellular adhesion molecule 1 (ICAM-1). Multivalent anti-ICAM-1 molecules were produced in bacteria and purified as soluble preassembled homogeneous proteins at high yield. These proteins successfully blocked rhinovirus infection in vitro, with the efficiency increasing from monomer to dimer, trimer, and tetramer. The diminished dissociation rate of these multivalent antibodies and their improved efficacy in preventing rhinovirus infection provide a foundation for producing prophylactic and therapeutic molecules against human rhinovirus, the causative agent of the majority of common colds.
The nature of activatory and tolerogenic dendritic cell-derived signal II (2013)

Dendritic cells (DCs) are central in maintaining the intricate balance between immunity and tolerance by orchestrating adaptive immune responses. Being the most potent antigen presenting cells, DCs are capable of educating naïve T cells into a wide variety of effector cells ranging from immunogenic CD4(+) T helper cells and cytotoxic CD8(+) T cells to tolerogenic regulatory T cells. This education is based on three fundamental signals. Signal I, which is mediated by antigen/major histocompatibility complexes binding to antigen-specific T cell receptors, guarantees antigen specificity. The co-stimulatory signal II, mediated by B7 family molecules, is crucial for the expansion of the antigen-specific T cells. The final step is T cell polarization by signal III, which is conveyed by DC-derived cytokines and determines the effector functions of the emerging T cell. Although co-stimulation is widely recognized to result from the engagement of T cell-derived CD28 with DC-expressed B7 molecules (CD80/CD86), other co-stimulatory pathways have been identified. These pathways can be divided into two groups based on their impact on primed T cells. Whereas pathways delivering activatory signals to T cells are termed co-stimulatory pathways, pathways delivering tolerogenic signals to T cells are termed co-inhibitory pathways. In this review, we discuss how the nature of DC-derived signal II determines the quality of ensuing T cell responses and eventually promoting either immunity or tolerance. A thorough understanding of this process is instrumental in determining the underlying mechanism of disorders demonstrating distorted immunity/tolerance balance, and would help innovating new therapeutic approaches for such disorders.
Brass-rubber adhesive interphase investigated via depth profiling by using Auger electron spectroscopy (1994)

The adhesive interphase formed between brass and sulfur crosslinked rubber is known to be a complex layer of metal oxides, sulfides, and rubber. Hostile aging of this system produces changes in the structure, morphology, thickness, and mechanical properties of this layer. In this work it has been demonstrated that the overall thickness of the sulfide film can be used to characterize the degradation of the adhesive layer. The thickness of the sulfide film was measured from depth profiles of the brass-plated steel surface obtained by using Auger electron spectroscopy with ion sputter etching following cryogenic fracture of the bond. Aging under several conditions indicated an inverse relationship between adhesion and interfacial sulfide thickness, with magnitude dependent upon properties of the rubber compound formulation.
A preclinical SPECT camera with depth-of-interaction compensation using a focused-cut scintillator (2011)

Preclinical SPECT offers a powerful means to understand the molecular pathways of metabolic activity in animals. SPECT cameras using pinhole collimators offer high resolution that is needed for visualizing small structures in laboratory animals. One of the limitations of pinhole geometries is that increased magnification causes some rays to travel through the scintillator detector at steep angles, introducing parallax errors due to variable depth-of-interaction in the scintillator, especially towards the edges of the detector field of view. These parallax errors ultimately limit the resolution of pinhole preclinical SPECT systems, especially for higher energy isotopes that can easily penetrate through millimeters of scintillator material. A pixellated, focused-cut scintillator, with its pixels laser-cut so that they are collinear with incoming rays, can potentially compensate for these parallax errors and thus open up a new regime of sub-mm preclinical SPECT. We have built a 4-pinhole prototype gamma camera for preclinical SPECT imaging, using an EMCCD camera coupled to a 3 mm thick CsI(Tl) scintillator whose pixels are focused towards each 500 &mu;m-diameter pinhole aperture of the four pinholes. The focused-cut scintillator was fabricated using a laser ablation process that allows for cuts with very high aspect ratios. We present preliminary results from our phantom experiments.
ABI domain‐containing proteins contribute to surface protein display and cell division in Staphylococcus aureus (2010)

The human pathogen Staphylococcus aureus requires cell wall anchored surface proteins to cause disease. During cell division, surface proteins with YSIRK signal peptides are secreted into the cross-wall, a layer of newly synthesized peptidoglycan between separating daughter cells. The molecular determinants for the trafficking of surface proteins are, however, still unknown. We screened mutants with non-redundant transposon insertions by fluorescence-activated cell sorting for reduced deposition of protein A (SpA) into the staphylococcal envelope. Three mutants, each of which harboured transposon insertions in genes for transmembrane proteins, displayed greatly reduced envelope abundance of SpA and surface proteins with YSIRK signal peptides. Characterization of the corresponding mutations identified three transmembrane proteins with abortive infectivity (ABI) domains, elements first described in lactococci for their role in phage exclusion. Mutations in genes for ABI domain proteins, designated spdA, spdB and spdC (surface protein display), diminish the expression of surface proteins with YSIRK signal peptides, but not of precursor proteins with conventional signal peptides. spdA, spdB and spdC mutants display an increase in the thickness of cross-walls and in the relative abundance of staphylococci with cross-walls, suggesting that spd mutations may represent a possible link between staphylococcal cell division and protein secretion.
Synergistic Approach to High-Performance Oxide Thin Film Transistors Using a Bilayer Channel Architecture (2013)

We report here a bilayer metal oxide thin film transistor concept (bMO TFT) where the channel has the structure: dielectric/semiconducting indium oxide (In2O3) layer/semiconducting indium gallium oxide (IGO) layer. Both semiconducting layers are grown from solution via a low-temperature combustion process. The TFT mobilities of bottom-gate/top-contact bMO TFTs processed at T = 250 °C are ~5tmex larger (~2.6 cm(2)/(V s)) than those of single-layer IGO TFTs (~0.5 cm(2)/(V s)), reaching values comparable to single-layer combustion-processed In2O3 TFTs (~3.2 cm(2)/(V s)). More importantly, and unlike single-layer In2O3 TFTs, the threshold voltage of the bMO TFTs is ~0.0 V, and the current on/off ratio is significantly enhanced to ~1 × 10(8) (vs ~1 × 10(4) for In2O3). The microstructure and morphology of the In2O3/IGO bilayers are analyzed by X-ray diffraction, atomic force microscopy, X-ray photoelectron spectroscopy, and transmission electron microscopy, revealing the polycrystalline nature of the In2O3 layer and the amorphous nature of the IGO layer. This work demonstrates that solution-processed metal oxides can be implemented in bilayer TFT architectures with significantly enhanced performance.
Photooxidation of cytochrome P450-BM3 (2010)

High-valent iron-oxo species are thought to be intermediates in the catalytic cycles of oxygenases and peroxidases. An attractive route to these iron-oxo intermediates involves laser flash-quench oxidation of ferric hemes, as demonstrated by our work on the ferryl (compound II) and ferryl porphyrin radical cation (compound I) intermediates of horseradish peroxidase. Extension of this work to include cytochrome P450-BM3 (CYP102A1) has required covalent attachment of a Ru(II) photosensitizer to a nonnative cysteine near the heme (RuIIK97C-FeIIIP450), in order to promote electron transfer from the Fe(III) porphyrin to photogenerated Ru(III). The conjugate was structurally characterized by X-ray crystallography (2.4 Å resolution; Ru-Fe distance, 24 Å). Flash-quench oxidation of the ferric-aquo heme produces an Fe(IV)-hydroxide species (compound II) within 2 ms. Difference spectra for three singly oxidized P450-BM3 intermediates were obtained from kinetics modeling of the transient absorption data in combination with generalized singular value decomposition analysis and multiexponential fitting.
SEMI-AUTOMATIC CORONARY ARTERY CENTERLINE EXTRACTION IN COMPUTED TOMOGRAPHY ANGIOGRAPHY DATA (2007)

This paper presents a semi-automatic coronary centerline extraction algorithm for computed tomography angiography data. The method applies region growing to computed tomography angiography data and incorporates bifurcation and leak detection. The presented method is evaluated either on the original data and on data in which vessel-like structures have been enhanced. Semi-automatically extracted centerlines of the three main coronary arteries are compared with centerlines manually annotated by three observers, using an overlap and distance measure. The method successfully extracted vessel centerlines in up to 15 out of 18 evaluated cases, with a localization accuracy which was in the range of the interobserver variability. Vessel enhancement prior to centerline extraction did not improve the results
Gazda-vendég kölcsönhatások tanulmányozása NMR módszerrel kalixarének és királis ródium vegyületek körében = Investigation of host-guest interaction of calixarenes and chiral rhodium compounds by NMR spectroscopy (2008)

Kutatásaink gazda-vendég kölcsönhatások tanulmányozására irányult, melynek keretében mind a résztvevő partnerek, mind a kialakuló komplexek térszerkezetének, konformációs sajátságainak, dinamikájának valamint sztöchiometriai viszonyainak meghatározását végeztük el. Vizsgálataink során kalixarén szupramolekulák kationokkal, anionokkal és kis szerves molekulákkal, illetve királis ródium vegyületek akirális és királis szelén- és foszforvegyületekkel való komplexképzési sajátságait határoztuk meg, melyekről 13 közleményben és számos előadásban számoltunk be. | The aims of our research were to examine the host-guest interactions. We defined the structure, the conformational behaviour, the dynamic and the stoichiometry of the participant partners and the evolving complex. On the one part we determinated the relations of calixarene supramolecules with cations, anions and small organic compounds, and on the other hand we studied the characteristics of chiral rhodium organic molecules with achiral and chiral selenium and phosphorous compounds. We have presented our results in 13 publications and in several lectures.
Quantitative Electrochemical SERS of Flavin at a Structured Silver Surface (2008)

In situ electrochemical surface enhanced Raman spectra (SERS) for an immobilized monolayer of a flavin analogue (isoalloxazine) at nanostructured silver surfaces are reported. Unique in the present study, the flavin is not directly adsorbed at the Ag surface but is attached through a chemical reaction between cysteamine adsorbed on the Ag surface and methylformylisoalloxazine. Even though the flavin is held away from direct contact with the metal, strong surface enhancements are observed. The nanostructured silver surfaces are produced by electrodeposition through colloidal templates to produce thin (<1 microm) films containing close-packed hexagonal arrays of uniform 900 nm sphere segment voids. The sphere segment void (SSV) structured silver surfaces are shown to be ideally suited to in situ electrochemical SERS studies at 633 nm, giving stable, reproducible surface enhancements at a range of electrode potentials, and we show that the SER spectra are sensitive to subfemtomole quantities of immobilized flavin. Studies of the SER spectra as a function of the electrode potential show clear evidence for the formation of the flavin semiquinone at the electrode surface at cathodic potentials.