gebhart/patrepeval huggingface dataset:
Using machine learning-based variable selection to identify hydrate related components from FT-ICR MS spectra (2022)

The blockages of pipelines caused by agglomeration of gas hydrates is a major flow assurance issue in the oil and gas industry. Some crude oils form gas hydrates that remain as transportable particles in a slurry. It is commonly believed that naturally occurring components in those crude oils alter the surface properties of gas hydrate particles when formed. The exact structure of the crude oil components responsible for this surface modification remains unknown. In this study, a successive accumulation and spiking of hydrate-active crude oil fractions was performed to increase the concentration of hydrate related compounds. Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) was then utilised to analyse extracted oil samples for each spiking generation. Machine learning-based variable selection was used on the FT-ICR MS spectra to identify the components related to hydrate formation. Among six different methods, Partial Least Squares Discriminant Analysis (PLS-DA) was selected as the best performing model and the 23 most important variables were determined. The FT-ICR MS mass spectra for each spiking level was compared to samples extracted before the successive accumulation, to identify changes in the composition. Principal Component Analysis (PCA) exhibited differences between the oils and spiking levels, indicating an accumulation of hydrate active components. Molecular formulas, double bond equivalents (DBE) and hydrogen-carbon (H/C) ratios were determined for each of the selected variables and evaluated. Some variables were identified as possibly asphaltenes and naphthenic acids which could be related to the positive wetting index (WI) for the oils.
The Origin of Photoluminescence from α-Sexithienyl Thin Films (1998)

We have studied photoluminescence (PL) from sublimed films of α-sexithienyl (T6) in order to understand the nature of the excited species which give rise to radiative emission. Temperature-dependent measurements of the PL spectra show an apparent 530 cm-1 blue shift of the emission as the sample temperature decreases, and the integrated PL intensity at 50 K is 1 order of magnitude larger than that at 300 K. Time-resolved PL spectra (at 10 K) indicate a fast energy transfer of excitons to lower lying trap states on the time scale of 250 ps. Site-selective PL (SSPL) measurements made at 25 K show clearly that the peaks in the steady-state PL spectrum are not only due to vibronic structure, but to emission from different defect states. Emission from the highest energy peak disappears when the excitation energy is below 17700 cm-1, and that from the second peak drops when the excitation is below 17095 cm-1. PL excitation (PLE) measurements show absorption into a distribution of defect states at about 17700 cm-1. Our data show that PL in T6 polycrystalline thin films originates from defect states. Comparison is made with the intrinsic excitonic PL of the T6 solid phase, demonstrating the relevance of defects in the radiative processes of rigid-rod-like conjugated systems.
High Pressure Liquid Chromatographic Determination of Sugars in Various Food Products (1979)

A high pressure liquid chromatographic (HPLC) method has been developed which is fast, simple, specific, and reliable over a wide range of sugar concentrations in a variety of food matrices. With few exceptions, sample preparation is simple, requiring only a water-ethanol extraction, followed by a rapid mini-column cleanup before injection into the HPLC system. The majority of samples can be prepared for analysis within 1--1 1/2 hr, and the following sugars are separated in less than 45 min: fructose, glucose, sucrose, maltose, lactose, melibioals, chocolate products, chocolate sirups, cookies, health food products, molasses, preserves, processed fruits, and soy protein products.
Musculoskeletal Strength, Balance Performance, and Self‐Efficacy in Elderly Ving Tsun Chinese Martial Art Practitioners: Implications for Fall Prevention (2014)

Objectives. To (1) compare the bone strength, lower limb muscular strength, functional balance performance, and balance self-efficacy between Ving Tsun (VT) martial art practitioners and nonpractitioners and (2) identify the associations between lower limb muscular strength, functional balance performance, and balance self-efficacy among the VT-trained participants. Methods. Thirty-five VT practitioners (mean age ± SD = 62.7 ± 13.3 years) and 49 nonpractitioners (mean age ± SD = 65.9 ± 10.5 years) participated in the study. The bone strength of the distal radius, lower limb muscular strength, functional balance performance, and balance self-efficacy were assessed using an ultrasound bone sonometer, the five times sit-to-stand test (FTSTS), the Berg balance scale (BBS), and the Chinese version of the activities-specific balance confidence scale, respectively. A multivariate analysis of covariance was performed to compare all the outcome variables between the two groups. Results. Elderly VT practitioners had higher radial bone strength on the dominant side (P < 0.05), greater lower limb muscular strength (P = 0.001), better functional balance performance (P = 0.003), and greater balance confidence (P < 0.001) than the nonpractitioners. Additionally, only the FTSTS time revealed a significant association with the BBS score (r = -0.575, P = 0.013). Conclusions. VT may be a suitable health-maintenance exercise for the elderly. Our findings may inspire the development of VT fall-prevention exercises for the community-dwelling healthy elderly.
Refractory acute leukaemia in adults treated with sequential colaspase and high-dose methotrexate (1978)

Thirty-nine adults with acute leukaemia who had relapsed when receiving extensive chemotherapy were treated with a combination of methotrexate and colaspase (L-asparaginase) given sequentially. Patients initially received 50-80 mg/m(2) methotrexate, followed three hours later by intravenous colaspase, 40 000 IU/m(2). Seven days later intravenous methotrexate, 120 mg/m(2) was given. Each dose of methotrexate was followed 24 hours later by colaspase, and the two-day course of treatment was repeated every 7-14 days. The methotrexate dose was increased to tolerance by increments of 40 mg/m(2) with each course, while the colaspase dose remained constant unless abnormal liver function developed, when it was reduced by half.Overall, 18 out of 39 patients achieved complete remission (46%). Of these, 13 out of 21 (62%) had acute lymphoblastic leukaemia, three out of seven (43%) acute undifferentiated leukaemia, and two out of 11 (18%) acute myeloblastic leukaemia. The median duration of complete remission was 20 weeks and the median duration of survival in complete responders was 45 weeks. The median number of courses needed to achieve complete remission was three. The maximum tolerated dose of methotrexate was 400 mg/m(2) (median 200 mg/m(2)). Major side effects were due to colaspase. Methotrexate in doses of up to 400 mg/m(2) caused minimal myelosuppression and stomatitis, which suggested that colaspase given sequentially provides relative protection from methotrexate toxicity without the need for folinic acid (citrovorum factor) rescue.The combination of sequential colaspase and methotrexate is highly effective in reinducing remission in patients with acute lymphoblastic leukaemia or acute undifferentiated leukaemia. The regimen is easy to administer and relatively non-toxic, so it is suitable for use in outpatients, either alone or combined with other agents.
Predicting drug‐induced slowing of conduction and pro‐arrhythmia: identifying the ‘bad’ sodium current blockers (2010)

Slowing conduction by blocking I(Na) could be potentially pro-arrhythmic. It is possible to differentiate between compounds with 'good' (lidocaine-like) and 'bad' (flecainide-like) I(Na) blocking activities in these models.
Étude électrochimique des systèmes binaires et ternaire engageant les éléments bismuth, antimoine et tellure (2004)

Dans la prsente tude, nous nous sommes intresss la recherche des meilleures conditions de synthse du compos Bi 0,5 Sb 1,5 Te 3 , prsentant des proprits thermolectriques optimales temprature ambiante pour un compos de type p. Une tude voltampromtrique a donc t mene pour les binaires engageant ces trois lments, c'est--dire Bi-Te et Sb-Te, ainsi que pour le ternaire Bi-Sb-Te. Les ions Bi III+ , Sb III+ et Te IV+ ont t mis en solution dans l'lectrolyte acide perchlorique HClO 4 1Macide tartrique C 4 H 6 O 6 0,1M, avec une concentration maximale en tellure de l'ordre de 10 -2 M. Les rapports envisags entre les ions, choisis en fonction d'tudes antrieures, sont les suivants : Bi/Te=1 et Sb/Te=1 pour les binaires, et (Bi+Sb)/Te=1 et Sb/Bi=3 pour le ternaire. Des dpts ont t raliss diffrents potentiels, de manire identifier les pics obtenus sur les voltamprogrammes. Ces dpts ont t caractriss par diffraction des rayons X, et leur stoechiomtrie a t obtenue par microsonde de Castaing.
Antenna Mutual Coupling in Near-field: Insights using Reactive Helicity and EM Lagrangian Density (2023)

&lt;p&gt;In this letter, we provide new insights into the mutual coupling between antennas, using spatial distribution of near-field reactive Helicity and period-averaged EM Lagrangian density. First, we analytically show that reactive Helicity (given by the real part of complex Helicity) in frequency domain always becomes zero in the far-field region of generic linearly and circularly polarized antennas. Furthermore, we introduce the concept of ‘instantaneous Helicity’ (analogous to instantaneous Poynting vector) to calculate reactive Helicity for antennas excited by arbitrary time-domain signals (eg. short-duration pulses). We analytically demonstrate the fundamental connection between this instantaneous Helicity, EM inertia density and EM Lagrangian density. Finally, using MoM-based MATLAB Antenna Toolbox, we compute the distribution (contour-plots) of normalized reactive Helicity and period-averaged Lagrangian density around a two-port system of thin-wire dipoles in frequency domain, revealing complex near-field inter-element interactions. Such visualization of mutual coupling via reactive Helicity and period-averaged EM Lagrangian density can enable antenna array designers to go beyond the traditional S-parameter approach, and identify regions containing near-zone non-TEM fields and non-propagating energy density, which may contribute constructively/destructively to the port-to-port mutual coupling. &lt;/p&gt;
Synthesis of benzene from methane over a nickel(111) catalyst (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis of benzene from methane over a nickel(111) catalystQ. Y. Yang, A. D. Johnson, K. J. Maynard, and S. T. CeyerCite this: J. Am. Chem. Soc. 1989, 111, 23, 8748–8749Publication Date (Print):November 1, 1989Publication History Published online1 May 2002Published inissue 1 November 1989https://pubs.acs.org/doi/10.1021/ja00205a043https://doi.org/10.1021/ja00205a043research-articleACS PublicationsRequest reuse permissionsArticle Views476Altmetric-Citations48LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Co-P Electrodeposited Alumite Films with In-Plane Magnetization (1990)

The magnetic properties and corrosion resistance of a magnetic alumite film, in which micropores are filled with Co, are investigated. It is found that in-plane magnetizatlon film is obtained by adding a small amount of P to the Co. For example, the effective anisotropy energy of the film changes from +0.44×10 5 erg/cm 3 to -1.32×10 5 erg/cm 3 by the addition of 8 at.% P. The in-plane coercivity of the film can be controlled between 340 Oe and 1350 Oe by the P content. The corrosion resistance of the film filled with Co 94 P 6 under the atmosphere of 40°C, 90% R. H. with 10 ppm SO 2 gas is tested. The corrosion resistance of the film under this condition is superior to that of sputtered Co-Ni thin film media with a carbon protective layer. Magnetic alumite film filled with Co-P alloy is considered to be a candidate for longitudinal magnetic recording media.
Kinetic and thermodynamic effects of phosphorylation on p53 binding to MDM2 (2019)

Abstract p53 is frequently mutated in human cancers. Its levels are tightly regulated by the E3 ubiquitin ligase MDM2. The complex between MDM2 and p53 is largely formed by the interaction between the N-terminal domain of MDM2 and the N-terminal transactivation (TA) domain of p53 (residues 15–29). We investigated the kinetic and thermodynamic basis of the MDM2/p53 interaction by using wild-type and mutant variants of the TA domain. We focus on the effects of phosphorylation at positions Thr18 and Ser20 including their substitution with phosphomimetics. Conformational propensities of the isolated peptides were investigated using in silico methods and experimentally by circular dichroism and 1 H-NMR in aqueous solution. Both experimental and computational analyses indicate that the p53 peptides are mainly disordered in aqueous solution, with evidence of nascent helix around the Ser20-Leu25 region. Both phosphorylation and the phosphomimetics at Thr18 result in a decrease in the binding affinity by ten- to twenty-fold when compared to the wild-type. Phosphorylation and phosphomimetics at Ser20 result in a smaller decrease in the affinity. Mutation of Lys24 and Leu25 also disrupts the interaction. Our results may be useful for further development of peptide-based drugs targeting the MDM2/p53 interaction.
L'OSTEOPATHIE ET LA CHIROPRAXIE (1998)

Osteopathy and chiropractic represent two challenging domains with a specific degree of multiplicity and complexity. This makes a complete appraisal difficult and impossible to appreciate in one single analysis. These disciplines exist since more than one century. An hermeneutic approach permits to understand their genesis but indicates also the nonsense of trying to transfer and apply earliest principles nowadays. It seems that most, but not all, practicing clinicians take into account recent developments in physiology, biomechanics and pathophysiology. Clinical studies and especially their meta-analyses on base of precise criteria permit to clarify the indications, therapeutic efficiency as well as socio-economic advantages. The meta-analyses point also at the poor quality of most clinical studies even if in the last years an improvement can be noted. Fundamental studies exist in both domains revealing interesting information that have permitted to reject several preconceived ideas and to clarifs others. Research topics as the morphology of the intervertebral disk before and after application of a manipulative technique are discussed. Results of experimental determination of global and segmental amplitudes in the cervical and in the lumbar spine during a manipulation in healthy subjects are reported. Finally the necessity but also the difficulties inherent to research studies in osteopathy and in chiropractic will be discussed.
A New Method of Skin-Graft Stabilization: The Reston Technique (1995)

We describe a new staple-on dressing technique for skin-graft stabilization, using gas-sterilized polyurethane foam as bolster material. The method has all the attributes of a satisfactory skin-graft dressing: compression to prevent hematoma and seroma, resistance to shear forces, splinting properties, and protection from the outside environment. Although we have not completed a randomized, prospective study, skin-graft "take" appears to be excellent in most cases. The technique is cost effective, and application requires a fraction of the time required for a traditional bolster dressing.
Ventilators : theory and clinical application (1986)

Provides a simple yet complete analysis of the ventilator's pneumatic circuitry along with the function and interdependency of each control. Emphasis is on the technical and mechanical aspects of ventilators and detailed coverage of the specifications of each type of equipment is provided.
Template-assisted self-assembly of achiral plasmonic nanoparticles into chiral structures (2021)

The acquisition of strong chiroptical activity has revolutionized the field of plasmonics, granting access to novel light-matter interactions and revitalizing research on both the synthesis and application of nanostructures. Among the different mechanisms for the origin of chiroptical properties in colloidal plasmonic systems, the self-assembly of achiral nanoparticles into optically active materials offers a versatile route to control the structure-optical activity relationships of nanostructures, while simplifying the engineering of their chiral geometries. Such unconventional materials include helical structures with a precisely defined morphology, as well as large scale, deformable substrates that can leverage the potential of periodic patterns. Some promising templates with helical structural motifs like liquid crystal phases or confined block co-polymers still need efficient strategies to direct preferential handedness, whereas other templates such as silica nanohelices can be grown in an enantiomeric form. Both types of chiral structures are reviewed herein as platforms for chiral sensing: patterned substrates can readily incorporate analytes, while helical assemblies can form around structures of interest, like amyloid protein aggregates. Looking ahead, current knowledge and precedents point toward the incorporation of semiconductor emitters into plasmonic systems with chiral effects, which can lead to plasmonic-excitonic effects and the generation of circularly polarized photoluminescence.
ChemInform Abstract: Observation of Coherent Perovskite Particles in Growing Chromia Films. (1987)

Abstract The incorporation of yttrium into a Co‐45 wt.% Cr alloy has been studied.
Smart Diversity Through MIMO Satellite $Q/V$-Band Feeder Links (2019)

With sum throughputs exceeding 1 Tb/s, next-generation high throughput satellite will play a key role in 5G networks for applications including backhauling or broadband in-flight connectivity. Such satellites require the deployment of tens of Q/V-band feeder links to support the data traffic in their uplink. Meanwhile, geographical restrictions and cost considerations significantly constrain the search for gateway deployment sites. Diversity strategies are, furthermore, necessary to cope with strong rain fades. In this paper, multiple-input-multiple-output (MIMO) feeder links are proposed to address these challenges. Using two active gateway antennas per feeder link, a MIMO-based solution enables to support twice the user link bandwidth per link compared to the state-of-the-art. On-ground and onboard processing strategies for such MIMO links are introduced, and the link outage probabilities are determined. An extension of smart diversity schemes to MIMO-based architectures is also presented to guarantee a sufficient robustness against rain fades. An analysis of the achieved uplink CINR demonstrates the superiority of the proposed concept and provides guidelines for an efficient design.
XUV-induced reactions in benzene on sub-10 fs timescale: nonadiabatic relaxation and proton migration (2017)

Unraveling ultrafast dynamical processes in highly excited molecular species has an impact on our understanding of chemical processes such as combustion or the chemical composition of molecular clouds in the universe. In this article we use short (<7 fs) XUV pulses to produce excited cationic states of benzene molecules and probe their dynamics using few-cycle VIS/NIR laser pulses. The excited states produced by the XUV pulses lie in an especially complex spectral region where multi-electronic effects play a dominant role. We show that very fast τ ≈ 20 fs nonadiabatic processes dominate the relaxation of these states, in agreement with the timescale expected for most excited cationic states in benzene. In the CH<sub>3</sub><sup>+</sup> fragmentation channel of the doubly ionized benzene cation we identify pathways that involve structural rearrangement and proton migration to a specific carbon atom. Further, we observe non-trivial transient behavior in this fragment channel, which can be interpreted either in terms of propagation of the nuclear wavepacket in the initially excited electronic state of the cation or as a two-step electronic relaxation via an intermediate state.
Effects of Peptidic Antagonists of Grb2-SH2 on Human Breast Cancer Cells (2009)

The growth factor receptor-bound protein Src homology 2 (Grb2-SH2) plays an important role in the oncogenic Ras signaling pathway, which involves in cell proliferation and differentiation. Therefore, the antagonist of Grb2-SH2 has become a potential target for developing anticancer agents. Recently, we discovered a peptide 1 (Fmoc-Glu-Tyr-Aib-Asn-NH(2)) with high affinity for the Grb2-SH2 domain by using surface plasmon resonance (SPR)-biosensor technology. Herein, we report the further design of the lead peptide 1 by addition of an Arg-Gly-Asp sequence to 1 to enhance binding to Grb2-SH2 and inducing apoptosis in cancer cells. Both the linear and cyclic analogs of the newly designed compound were prepared along with an analog in which the N(alpha)-Fmoc group was removed. These peptide analogs were assayed for their affinity for the Grb2-SH2, their antiproliferative effect on human breast cancer cells, their specificity for cancer cells, and their effects on cytotoxicity and the cell cycle. MCF-7 and MDA-MB-453 breast cancer cells were treated with various concentrations of each peptide. The cell viability and cytotoxicity of peptide-treated cells were determined by using the cell proliferation kit (3-[4, 5-dimethyl-2-thiazolyl]-2, 5-diphenyl-tetrazolium bromide, MTT) and cytotoxicity kit (lactate dehydrogenase, LDH), respectively. Effects of peptides on the cell cycle progression of cancer cells and apoptosis were analyzed by using flow cytometry. Results demonstrated that the peptide analog 2 (H-Arg-Gly-Asp-Glu-Tyr-Aib-Asn-Arg-Gly-Asp-NH(2)) had anti-proliferative effects on MCF-7 and MDA-MB-453 cells with an IC(50) of 45.7 microM and 47.4 microM, respectively. The cytotoxicity and percentage of sub-G1 in the cell cycle were increased in these cancer cells when cells were treated with higher concentration of the Arg-Gly-Asp-containing peptide 2. These results provide important information for the development of anti-cancer agents.
A Laser Driven Flow Chemistry Platform for Scaling Photochemical Reactions with Visible Light (2019)

Visible-light-promoted organic reactions can offer increased reactivity and selectivity via unique reaction pathways to address a multitude of practical synthetic problems, yet few practical solutions exist to employ these reactions for multikilogram production. We have developed a simple and versatile continuous stirred tank reactor (CSTR) equipped with a high-intensity laser to drive photochemical reactions at unprecedented rates in continuous flow, achieving kg/day throughput using a 100 mL reactor. Our approach to flow reactor design uses the Beer-Lambert law as a guideline to optimize catalyst concentration and reactor depth for maximum throughput. This laser CSTR platform coupled with the rationale for design can be applied to a breadth of photochemical reactions.