gebhart/patrepeval huggingface dataset:
Selective Monoetherification of 1,4-Hydroquinone Promoted by NaNO2 (2013)

Catalytic amounts of NaNO2 are able to successfully promote the reaction between 1,4-hydroquinone and methanol under acidic conditions, affording selectively the corresponding mequinol in excellent isolated yields. According to the proposed reaction mechanism, the semi-quinone intermediate, generated in situ from the corresponding hydroquinone by NO2 oxidation, is the real reactive species, undergoing nucleophilic attack onto the alcoholic molecule. Experimental evidences emphasize the key role of NO2. After optimization of the reaction conditions, the scope of the proposed protocol is extended to a wider range of alcohols, providing the corresponding mono-ethers in good to excellent yields. Moreover, when substituted hydroquinones are selected as reactive substrates, monoetherification occurs with complete regio-selectivity towards the less hindered phenolic –OH group. Keywords: Etherification, Alkylation, Hydroquinones, Semiquinone
Synthesis of aryl alkyl ethers by alkylation of phenols with quaternary ammonium salts. (2010)

Phenolic compounds can be efficiently O-methylated with tetramethylammonium chloride in diglyme or polyethyleneglycol (PEG) at temperatures of 150-160 °C and in the presence of either K2CO3 or NaOH. When applying benzyltrimethylammonium chloride as a reagent, the benzylation and methylation of phenols occurs, with the benzylation product always predominating. With allyl-substituted phenols as substrates and using NaOH as a base it was possible to achieve both the alkylation and the double-bond isomerization of the allyl group to obtain (E/Z)-propenyl-substituted methyl and benzyl aryl ethers in a single preparative step.
Consequences of Electron Transfer in Chlorophylls, Chlorins, and Porphyrins (1986)

Crystallographic results are presented for a chlorin, a bacteriopheophorbide d, a nickel isobacteriochlorin derived from chlorophyll a, and for the cation radical of a magnesium porphyrin. These data form part of an increasing body of evidence that demonstrates the significant conformational flexibility of the porphyrin skeleton in the solid and in solution. Since a wide spectrum of photosynthetic and enzymatic reactions proceed via π radicals of porphyrin derivatives, the consequences of the macrocyles' flexibility are considered for distances and orientations between donors and acceptors, interactions with ligands, nearby charges or polar groups, electronic profiles and the gaps between the a1u and a2u highest occupied orbitals.
Purification, crystallization and initial crystallographic analysis of RNA polymerase holoenzyme fromThermus thermophilus (2002)

RNA polymerase holoenzyme from Thermus thermophilus, consisting of six protein subunits (alpha(2), beta, beta', omega and sigma(70)) and having a total molecular mass of about 450 kDa, was purified and crystallized by the hanging-drop vapour-diffusion technique under mild near-physiological conditions. The crystals diffract beyond 3 A resolution. Careful analysis of diffraction data revealed that the crystals belong to space group P3(2), with unit-cell parameters a = b = 236.35, c = 249.04 A, and have perfect twinning along the threefold axis. A complete data set at 3 A resolution was collected and an unambiguous molecular-replacement solution was found using the structure of T. aquaticus RNA polymerase core enzyme as a search model. The refinement of structure and model building of the sigma(70) subunit is now in progress.
Platelet IP6K1 regulates neutrophil extracellular trap–microparticle complex formation in acute pancreatitis (2019)

Following publication, the Editors became aware of irregularities in the pseudocoloring of microparticles in scanning electron microscopy images in Figures The Editors have requested an institutional investigation into this matter, and we will inform our readers of the outcome when the investigation is complete.
Reduction of the active-site iron by potent inhibitors of lipoxygenases (1991)

Lipoxygenases are non-heme iron dioxygenases that catalyze the oxygenation of polyunsaturated fatty acids. Using soybean lipoxygenase-1 as a model, we have shown that two classes of lipoxygenase inhibitors currently in development as potential antiinflammatory agents obtain a significant amount of their potency by reducing the lipoxygenase active-site iron from the active ferric state to the inactive ferrous state. It is not surprising that the members of the first of these classes, the 2-benzyl-1-naphthols, are reducing agents. The members of the second class, the N-alkyl-hydroxamic acids, were not anticipated to be sufficiently strong reducing agents to be oxidized by the lipoxygenase ferric center; that they are provides additional evidence for that iron having a high reduction potential. This brings to (at least) five the number of classes of lipoxygenase inhibitors that are capable of reducing the active-site ferric ion and suggests the generality of this approach in the rational design of lipoxygenase inhibitors.
5G Applications From Vision to Reality: Multi-Operator Orchestration (2020)

Envisioned 5G applications and services, such as Tactile Internet, Industry 4.0 use-cases, remote control of drone swarms, pose serious challenges to the underlying networks and cloud platforms. On the one hand, evolved cloud infrastructures provide the IT basis for future applications. On the other hand, networking is in the middle of a momentous revolution and important changes are mainly driven by Network Function Virtualization (NFV) and Software Defined Networking (SDN). A diverse set of cloud and network resources, controlled by different technologies and owned by cooperating or competing providers, should be coordinated and orchestrated in a novel way in order to enable future applications and fulfill application level requirements. In this paper, we propose a novel cross domain orchestration system which provides wholesale XaaS (Anything as a Service) services over multiple administrative and technology domains. Our goal is threefold. First, we design a novel orchestration system exploiting a powerful information model and propose a versatile embedding algorithm with advanced capabilities as a key enabler. The main features of the architecture include i) efficient and multi-purpose service embedding algorithms which can be implemented based on graph models, ii) inherent multidomain support, iii) programmable aggregation of different resources, iv) information hiding together with flexible delegation of certain requirements enabling multi-operator use-cases, and v) support for legacy technologies. Second, we present our proof-of-concept prototype implementing the proposed system. Third, we establish a dedicated test environment spanning across multiple European sites encompassing sandbox environments from both operators and the academia in order to evaluate the operation of the system. Dedicated experiments confirm the feasibility and good scalability of the whole framework.
Breath-Actuated Nebulizer for Patients With Exacerbation of COPD: Efficiency and Cost (2012)

Aerosolized bronchodilators have been the first line therapy for exacerbation of COPD (ECOPD) to relieve bronchoconstriction and shortness of breath. Administration of bronchodilators in acute settings is commonly done with small-volume nebulizers, which deliver higher inhaled drug mass, compared to
General Trend of a Negative Li Effective Charge in Ionic Liquid Electrolytes (2019)

We show that strong cation-anion interactions in a wide range of lithium-salt/ionic liquid mixtures result in a negative lithium transference number, using molecular dynamics simulations and rigorous concentrated solution theory. This behavior fundamentally deviates from that obtained using self-diffusion coefficient analysis and explains well recent experimental electrophoretic nuclear magnetic resonance measurements, which account for ion correlations. We extend these findings to several ionic liquid compositions. We investigate the degree of spatial ionic coordination employing single-linkage cluster analysis, unveiling asymmetrical anion-cation clusters. We formulate a way to compute the effective lithium charge and show that lithium-containing clusters carry a negative charge over a remarkably wide range of compositions and concentrations. This finding has significant implications for the overall performance of battery cells based on ionic liquid electrolytes. It also provides a rigorous prediction recipe and design protocol for optimizing transport properties in next-generation highly correlated electrolytes.
Ultrasound mediated transdermal drug delivery (2002)

Low-frequency sonophoresis (LFS) is a noninvasive method of transdermal drug delivery and diagnostics. In this method, a short application of ultrasound is used to permeabilize skin for a prolonged period of time. During this period, ultrasonically permeabilized skin may be used as a permeable interface to the body. This interface may be used for the extraction of analytes or the delivery of drugs. Our main objective in this study is to understand the mechanisms of skin permeability due to LFS. Although the principal mechanism of LFS is known to be cavitation, little is known about how cavitation does actually enhance skin permeability. We are specifically interested in understanding the interactions of cavitation bubbles with the skin surface. We are also interested in assessing the structural alterations in the skin induced by ultrasound. We hypothesize that ultrasound generates defects that are responsible for the enhanced delivery of large hydrophilic solutes such as proteins (e.g., insulin). In this study we sought to determine the dependence of LFS transport pathways on ultrasound parameters such as application frequency and energy density.
Electroless Deposition of Conformal Nanoscale Iron Oxide on Carbon Nanoarchitectures for Electrochemical Charge Storage (2010)

We describe a simple self-limiting electroless deposition process whereby conformal, nanoscale iron oxide (FeO(x)) coatings are generated at the interior and exterior surfaces of macroscopically thick ( approximately 90 microm) carbon nanofoam paper substrates via redox reaction with aqueous K(2)FeO(4). The resulting FeO(x)-carbon nanofoams are characterized as device-ready electrode structures for aqueous electrochemical capacitors and they demonstrate a 3-to-7 fold increase in charge-storage capacity relative to the native carbon nanofoam when cycled in a mild aqueous electrolyte (2.5 M Li(2)SO(4)), yielding mass-, volume-, and footprint-normalized capacitances of 84 F g(-1), 121 F cm(-3), and 0.85 F cm(-2), respectively, even at modest FeO(x) loadings (27 wt %). The additional charge-storage capacity arises from faradaic pseudocapacitance of the FeO(x) coating, delivering specific capacitance >300 F g(-1) normalized to the content of FeO(x) as FeOOH, as verified by electrochemical measurements and in situ X-ray absorption spectroscopy. The additional capacitance is electrochemically addressable within tens of seconds, a time scale of relevance for high-rate electrochemical charge storage. We also demonstrate that the addition of borate to buffer the Li(2)SO(4) electrolyte effectively suppresses the electrochemical dissolution of the FeO(x) coating, resulting in <20% capacitance fade over 1000 consecutive cycles.
Surface-bound, double-stranded DNA protein arrays (2023)

The invention provides a synthetic array of surface-bound, bimolecular, double-stranded nucleic acid molecules, the array comprising a solid support and a plurality of bimolecular double-stranded nucleic acid molecule members, a member comprising a first nucleic acid strand linked to the solid support and a second nucleic acid strand which is substantially complementary to the first strand and complexed to the first strand by Watson-Crick base pairing, wherein for at least a portion of the members, each member comprises a recognition site within a nucleic acid sequence for a protein, wherein a recognition site within a nucleic acid sequence for a protein of a first member is different from a recognition site within a nucleic acid sequence for a protein of a second member and wherein a protein is bound to a member thereof.
Model for noncollisional heating in inductively coupled plasma processing sources (1997)

Low pressure (&amp;lt;10 mTorr) inductively coupled plasma sources are being developed for etching and deposition of semiconductors and metals. In models for these devices, plasma dynamics are typically coupled to the electromagnetic fields through Ohm’s law, which implies that collisional heating is the dominant power transfer mechanism. In this article, we describe an algorithm to couple plasma dynamics to electromagnetic field propagation which self-consistently includes noncollisional heating effects as well. The algorithm makes use of kinetic information available from an electron Monte Carlo simulation to compute plasma currents that are then used in computation of the electromagnetic field. Results for plasma density and electric field amplitude are presented as a function of power and pressure, and are compared to results from models that consider only collisional heating. We find that noncollisional heating effects are important at pressures of less than 10–20 mTorr, a range that depends both on gas mixture and geometry. Noncollisional heating effects allow the wave to couple more efficiently to the plasma. As a result, the electric field amplitude required to deposit a given amount of power in the plasma is smaller than that needed when only collisional heating is considered. For a constant power deposition, this generally leads to lower plasma densities.
Total Synthesis of the Antiviral Peptide Antibiotic Feglymycin (2009)

An adaptable approach: The first highly convergent stereoselective synthesis of feglymycin (see structure) and its enantiomer is based on the coupling of repeating peptide fragments. The use of weakly basic conditions throughout the synthesis suppressed the epimerization of sensitive aryl glycine units. Feglymycin has strong anti-HIV activity as well as potent (previously identified as weak) antibacterial activity against Staphylococcus aureus.
Bibliometrics As Weapons Of Mass Citation. (2010)

International audience ; The allocation of resources for research is increasingly based on so-called 'bibliometrics'. Scientists are now deemed to be successful on the sole condition that their work be abundantly cited. This world-wide trend appears to enjoy support not only by granting agencies (whose task is obviously simplified by extensive recourse to bibliometrics), but also by the scientists themselves (who seem to enjoy their status of celebrities). This trend appears to be fraught with dangers, particularly in the area of social sciences, where bibliometrics are less developed, and where monographs (which are not taken into account in citation indexes) are often more important than articles published in journals. We argue in favour of a return to the values of 'real science', in analogy to the much-promised return to a 'real economy'. While economists may strive towards a more objective evaluation of the prospects of a company, a market, or an industrial sector, we scientists can only base our appraisal on a responsible practice of peer review. Since we fear that decision-takers of granting agencies such as the FNRS, CTI, EPFL, ETHZ, ANR, CNRS, NIH, NSF, DOE, etc. will be too busy to read our humble paper in Chimia, we appeal to scientists of all countries and disciplines to unite against the tyranny of bibliometrics.
Placental Pathology in Maternal and Neonatal Myeloproliferative Disorders (1998)

Les objectifs de ce travail sont de colliger tous les cas publiés de métastases placentaires de cancers maternels et de faire la synthèse de ces observations. Les métastases placentaires sont rares et semblent compliquer plus souvent les mélanomes malins, les hémopathies, les cancers mammaires et bronchiques. Elles se rencontrent au cours de tumeurs agressives ou évoluées et sont de pronostic maternel sombre. L'épidémiologie et l'histoire naturelle de ces tumeurs sont cependant très mal connues. Chez toute femme enceinte ayant présenté récemment un cancer, un examen anatomopathologique du placenta devrait être demandé à la recherche d'un envahissement tumoral. De même, une évaluation néonatale et un suivi pédiatrique prolongé s'imposent. La création de registres des cancers de la femme enceinte est indispensable pour mieux connaître l'épidémiologie de ces cancers ainsi que les facteurs pronostiques maternels et pédiatriques.The purpose of this paper was to update and analyse all the reported cases of placental metastasis. These tumours are rare and seem to complicate aggressive or disseminated malignant melanomas, leukaemias, breast cancers and lung cancers. Maternal prognosis is poor. The risk factors of cancer in the newborn are unknown. In a pregnant woman with a history of malignancy, a systematic histological examination of the placenta for evidence of metastasis is required. Close observation and follow-up of the infant has to be recommended, especially in case of placental involvement. To estimate the incidence of placental metastases and to improve knowledge of their natural history, the creation of registries of malignancies associated with pregnancy is required.
Audio Analysis using the Discrete Wavelet Transform (2001)

Abstract:- The Discrete Wavelet Transform (DWT) is a transformation that can be used to analyze the temporal and spectral properties of non-stationary signals like audio. In this paper we describe some applications of the DWT to the problem of extracting information from non-speech audio. More specifically automatic classification of various types of audio using the DWT is described and compared with other traditional feature extractors proposed in the literature. In addition, a technique for detecting the beat attributes of music is presented. Both synthetic and real world stimuli were used to evaluate the performance of the beat detection algorithm. Key-Words:- audio analysis, wavelets, classification, beat extraction 1
Femtosecond single-electron diffraction (2014)

Ultrafast electron diffraction allows the tracking of atomic motion in real time, but space charge effects within dense electron packets are a problem for temporal resolution. Here, we report on time-resolved pump-probe diffraction using femtosecond single-electron pulses that are free from intra-pulse Coulomb interactions over the entire trajectory from the source to the detector. Sufficient average electron current is achieved at repetition rates of hundreds of kHz. Thermal load on the sample is avoided by minimizing the pump-probe area and by maximizing heat diffusion. Time-resolved diffraction from fibrous graphite polycrystals reveals coherent acoustic phonons in a nanometer-thick grain ensemble with a signal-to-noise level comparable to conventional multi-electron experiments. These results demonstrate the feasibility of pump-probe diffraction in the single-electron regime, where simulations indicate compressibility of the pulses down to few-femtosecond and attosecond duration.
Short- and long-term outcomes of moyamoya patients post-revascularization (2022)

In this large, single-center surgical series, most of the adult and pediatric patients had direct revascularization, with a 4.2% per-bypass-procedure (6.8% per patient) 30-day major stroke risk and a 0.6% per-patient-year long-term stroke risk. The authors identified various risk factors that are highly correlated with postoperative morbidity (age, mMRI score, and HDR score) and are involved in ongoing work to develop the predictive modeling for future patient selection and treatment.
Abstract 3531: Sensitizing immune unresponsive colorectal cancers to immune checkpoint inhibitors through MAVS overexpression (2022)

Abstract Background: The majority of colorectal carcinomas (CRCs) are insensitive to anti-PD-1/PD-L1 immune checkpoint inhibitor (ICI) antibodies. While there are many causes for ICI insensitivity, recent studies suggest that the suppression of innate immunity through a loss of innate immune adaptor expression could be a root cause of this insensitivity and an important factor in the evolution of tumor immunosuppression. Methods: We interrogated mitochondrial antiviral signaling gene (MAVS) expression through bioinformatics analyses of multiple datasets to validate its suppression in clinical samples. We then engineered MAVS expressing tumor cells and tested its ability to elicit innate and adaptive anti-tumor immunity using both in vitro and in vivo approaches, which we then confirmed using MAVS expressing viral vectors. Finally, we observed that MAVS stimulated PD-L1expression in different types of tumor cells and then assessed the combination of PD-L1 ICI antibodies with MAVS tumor expression in vivo. Results: MAVS was significantly downregulated in CRCs, but its re-expression could stimulate broad cellular interferon-related responses, in both murine and patient-derived CRCs. In vivo, local MAVS expression elicited significant anti-tumor responses in both immune-sensitive and insensitive CRC models, through the stimulation of an interferon responsive axis that elicited tumor antigen-specific adaptive immunity. Critically, we found that tumor-intrinsic MAVS expression triggered systemic adaptive immune responses that enabled abscopal CD8+ T cell cytotoxicity against distant CRCs. As MAVS also induced PD-L1 expression, we further found synergistic anti-tumor responses in combination with anti-PD-L1 ICIs. Conclusion: These data demonstrate that intratumoral MAVS expression results in local and systemic tumor antigen-specific T cell responses, which could be combined with PD-L1 ICI to permit effective anti-tumor immunotherapy in ICI resistant cancers. We are further exploring to overcome the ICI insensitivity of other types of solid tumor, with MAVS-delivery strategies other than viral vectors. Citation Format: Bin-Jin Hwang, Li-Chung Tsao, Chaitanya Acharya, Timothy Trotter, Pankaj Agarwal, Tao Wang, Junping Wei, Xiao-Yi Yang, Gang-jun Lei, Takuya Osada, Herbert Kim Lyerly, Michael A. Morse, Zachary Hartman. Sensitizing immune unresponsive colorectal cancers to immune checkpoint inhibitors through MAVS overexpression [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2022; 2022 Apr 8-13. Philadelphia (PA): AACR; Cancer Res 2022;82(12_Suppl):Abstract nr 3531.
ChemInform Abstract: Boron Containing Oligonucleotides. (1998)

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.