gebhart/patrepeval huggingface dataset:
The Structure of Hemicalide from the Marine Sponge Hemimycale sp (2022)

Abstract Hemicalide is a marine natural product isolated from the sponge Hemimycale sp ., collected near the Torres Islands of Vanuatu. It is characterized by cytotoxicity in the sub‐nanomolar range, with an original mode of action. This article describes the establishment of the planar structure of hemicalide, based on extensive use of 2D‐NMR experiments. The molecule belongs to the polyketide class with an irregular combination of acetates and propionates and adorned with two unusual hydroxylated six‐membered ring lactones. After publication of the original patent, groups in Paris and Cambridge (UK) launched synthetic programmes with the aim of elucidating the configurations of some of the 21 stereogenic centers. The second part of the article discusses these achievements and presents the best hypothesis, to date, for hemicalide.
T-helper mediated enhancement of infection after vaccination against feline AIDS (2004)

International audience
Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson’s Catalyst? (2010)

NMR studies of intramolecular exchange in [(Ph(3)P)(3)Rh(X)] (X = CF(3), CH(3), H, Ph, Cl) have produced full sets of activation parameters for X = CH(3) (E(a) = 16.4 +/- 0.6 kcal mol(-1), DeltaH(double dagger) = 16.0 +/- 0.6 kcal mol(-1), and DeltaS(double dagger) = 12.7 +/- 2.5 eu), H (E(a) = 10.7 +/- 0.2 kcal mol(-1), DeltaH(double dagger) = 10.3 +/- 0.2 kcal mol(-1), and DeltaS(double dagger) = -7.2 +/- 0.8 eu), and Cl (E(a) = 16.3 +/- 0.2 kcal mol(-1), DeltaH(double dagger) = 15.7 +/- 0.2 kcal mol(-1), and DeltaS(double dagger) = -0.8 +/- 0.8 eu). Computational studies have shown that for strong trans influence ligands (X = H, Me, Ph, CF(3)), the rearrangement occurs via a near-trigonal transition state that is made more accessible by bulkier ligands and strongly donating X. The exceedingly fast exchange in novel [(Ph(3)P)(3)Rh(CF(3))] (12.1 s(-1) at -100 degrees C) is due to strong electron donation from the CF(3) ligand to Rh, as demonstrated by computed charge distributions. For weaker donors X, this transition state is insufficiently stabilized, and hence intramolecular exchange in [(Ph(3)P)(3)Rh(Cl)] proceeds via a different, spin-crossover mechanism involving triplet, distorted-tetrahedral [(Ph(3)P)(3)Rh(Cl)] as an intermediate. Simultaneous intermolecular exchange of [(Ph(3)P)(3)Rh(Cl)] with free PPh(3) (THF) via a dissociative mechanism occurs exclusively from the sites cis to Cl (E(a) = 19.0 +/- 0.3 kcal mol(-1), DeltaH(double dagger) = 18.5 +/- 0.3 kcal mol(-1), and DeltaS(double dagger) = 4.4 +/- 0.9 eu). Similar exchange processes are much slower for [(Ph(3)P)(3)Ir(Cl)] which has been found to exist in orange and red crystallographic forms isostructural with those of [(Ph(3)P)(3)Rh(Cl)].
Te antisite incorporation inZnS1−xTexthin films (2005)

We investigate Te-related intrinsic defects in $\mathrm{Zn}{\mathrm{S}}_{1\ensuremath{-}x}{\mathrm{Te}}_{x}$ thin films. First-principles calculations were performed for ZnS with Te as impurity atoms. The results show that the substitutional incorporation of Te in group VI sites cannot form defect states deep in the energy band gap of ZnS. On the other hand, our calculations on both Te antisite and interstitial defects result in deep-level states. X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) were used to study the chemical structures of three molecular-beam-epitaxy-grown $\mathrm{Zn}{\mathrm{S}}_{1\ensuremath{-}x}{\mathrm{Te}}_{x}$ samples, $x{0.005,0.019,0.026}$. An asymmetry was detected in the XPS spectra of both Te $3{d}_{3∕2}$ and Te $3{d}_{5∕2}$ core levels, which indicates that a small portion of the incorporated Te atoms is bonded to a more electronegative element. A peak at $m∕z$ of 158 was detected in the SIMS depth profiles of these samples and its characteristics match that of TeS components of the lattice matrix. This experimental evidence strongly supports the existence of Te antisite defects in the thin films. We believe that the origin of the highly luminescent centers in $\mathrm{Zn}{\mathrm{S}}_{1\ensuremath{-}x}{\mathrm{Te}}_{x}$ thin films is possibly attributed to the deep-level states generated from Te anti-site incorporation.
Electron-transfer reaction (2015)

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IL‐30 (IL27p28) attenuates liver fibrosis through inducing NKG2D‐rae1 interaction between NKT and activated hepatic stellate cells in mice (2014)

Highly target-specific liver NKT cells selectively remove activated HSCs through an NKG2D-Rae1 interaction to ameliorate liver fibrosis after IL-30 treatment.
The stereochemical course of yeast hexokinase-catalysed phosphoryl transfer by using adenosine 5′[γ(S)-16O,17O,18O]triphosphate as substrate (1981)

Adenosine 5'[gamma(S)-16O, 17O, 18O]triphosphate has been synthesized and used to determine the stereochemical course of phosphoryl transfer catalysed by yeast hexokinase. The chirality at phosphorus of the D-glucose 6-[16O,17O,18O]phosphate formed was analysed, after cyclization and methylation, by 31P n.m.r. spectroscopy. The phosphoryl transfer was found to occur with inversion of configuration, with a stereoselectivity in excess of 94%. The simplest interpretation of this result is that the phosphoryl group is transferred between substrates in the enzyme-substrate ternary complex by an 'in line' mechanism.
HomePlug AV2: Next-Generation Broadband over Power Line (2014)

International audience
Characterization of a Rhodium(I) σ-Methane Complex in Solution (2009)

Numerous transition metal-mediated reactions, including hydrogenations, hydrosilations, and alkane functionalizations, result in the cleavage of strong sigma bonds. Key intermediates in these reactions often involve coordination of the sigma bond of dihydrogen, silanes (Si-H), or alkanes (C-H) to the metal center without full scission of the bond. These sigma complexes have been characterized to varying degrees in solid state and solution. However, a sigma complex of the simplest hydrocarbon, methane, has eluded full solution characterization. Here, we report nuclear magnetic resonance spectra of a rhodium(I) sigma-methane complex obtained by protonation of a rhodium-methyl precursor in CDCl2F solvent at -110 degrees C. The sigma-methane complex is shown to be more stable than the corresponding rhodium(III) methyl hydride complex. Even at -110 degrees C, methane rapidly tumbles in the coordination sphere of rhodium, exchanging free and bound hydrogens. Kinetic studies reveal a half-life of about 83 minutes at -87 degrees C for dissociation of methane (free energy of activation is 14.5 kilocalories per mole).
Coexistence of Two Colloidal Crystals at the Nematic-Liquid-Crystal–Air Interface (2007)

Glycerol droplets at a nematic-liquid-crystal-air interface form two different lattices--hexagonal and dense quasihexagonal--which are separated by the energy barrier and can coexist. Director distortions around each droplet form an elastic dipole. The first order transition between the two lattices is driven by a reduction of the dipole-dipole repulsion through reorientation of these dipoles. The elastic-capillary attraction is essential for the both lattices. The effect has a many-body origin.
Endothelial-Specific Expression of CIDEC Improves High-Fat Diet–Induced Vascular and Metabolic Dysfunction (2022)

Cell death-inducing DNA fragmentation factor-α-like effector C (CIDEC), originally identified to be a lipid droplet-associated protein in adipocytes, positively associates with insulin sensitivity. Recently, we discovered that it is expressed abundantly in human endothelial cells and regulates vascular function. The current study was designed to characterize the physiological effects and molecular actions of endothelial CIDEC in the control of vascular phenotype and whole-body glucose homeostasis. To achieve this, we generated a humanized mouse model expressing endothelial-specific human CIDEC (E-CIDECtg). E-CIDECtg mice exhibited protection against high-fat diet-induced glucose intolerance, insulin resistance, and dyslipidemia. Moreover, these mice displayed improved insulin signaling and endothelial nitric oxide synthase activation, enhanced endothelium-dependent vascular relaxation, and improved vascularization of adipose tissue, skeletal muscle, and heart. Mechanistically, we identified a novel interplay of CIDEC-vascular endothelial growth factor A (VEGFA)-vascular endothelial growth factor receptor 2 (VEGFR2) that reduced VEGFA and VEGFR2 degradation, thereby increasing VEGFR2 activation. Overall, our results demonstrate a protective role of endothelial CIDEC against obesity-induced metabolic and vascular dysfunction, in part, by modulation of VEGF signaling. These data suggest that CIDEC may be investigated as a potential future therapeutic target for mitigating obesity-related cardiometabolic disease.
An impedimetric determination of alkaline phosphatase activity based on the oxidation reaction mediated by Cu2+ bound to poly-thymine DNA (2018)

We herein describe a novel impedimetric method to determine alkaline phosphatase (ALP) activity based on the Cu<sup>2+</sup>-mediated oxidation of ascorbic acid on a specific DNA probe-modified electrode. In this method, pyrophosphate (PPi) capable of complexing with Cu<sup>2+</sup> is employed as a substrate of the ALP enzyme. In the presence of ALP, PPi is hydrolyzed to phosphate (Pi), which is not able to entrap Cu<sup>2+</sup>. The free Cu<sup>2+</sup> are specifically bound to a poly-thymine DNA probe immobilized on the electrode surface and reduced to form copper nanoparticles by a concomitant oxidation of ascorbic acid. As a result, the oxidation products of ascorbic acid are accumulated on the electrode surface, which consequently increase electron transfer resistance (<i>R</i> <sub>et</sub>) by interrupting the electron transfer on the electrode. On the other hand, in the absence of ALP, PPi remains intact to effectively capture Cu<sup>2+</sup>, consequently preventing the oxidation of ascorbic acid and the subsequent increase of <i>R</i> <sub>et</sub>. Based on this design principle, the change in <i>R</i> <sub>et</sub>, which is proportional to ALP activity, was measured by electrochemical impedance spectroscopy (EIS) and ALP activities were successfully determined down to 6.5 pM (7.2 U L<sup>-1</sup>) with excellent selectivity.
Strong Phase-Noise Suppression of a Kerr Comb via Synchronization to an Optical Parametric Oscillator (2022)

We demonstrate near-complete suppression of phase noise associated with thermo-refractive noise in microresonator Kerr soliton comb via all-optical synchronization of the comb to an optical parametric oscillator all on a single silicon-nitride chip.
Liquid Leaks: Dripping Versus Evaporation (2018)

Liquid leaks often reveal themselves as pendant drops or drips emanating from a low point on a fluid handling component. For volatile liquids, understanding the contributions of interfacial properties, such as diffusivity of the liquid and wettability of the solid, is crucial to determining leak rates. To estimate the resolution of hydrostatic leak testing, the competing factors of leak and evaporation rates were analyzed. We used drop volumes and contact angles along with intrinsic fluid properties to calculate the detection limit of hydrostatic leak tests. For water and ethanol, we reckon that it is approximately 10<sup>-4</sup> to 10<sup>-5</sup> cm<sup>3</sup>/s in dry air.
Exploiting Wireless Channel State Information Structures Beyond Linear Correlations: A Deep Learning Approach (2018)

Knowledge of information about the propagation channel in which a wireless system operates enables better, more efficient approaches for signal transmissions. Therefore, channel state information (CSI) plays a pivotal role in the system performance. The importance of CSI is in fact growing in the upcoming 5G and beyond systems, e.g., for the implementation of massive multiple-input multiple-output (MIMO). However, the acquisition of timely and accurate CSI has long been considered as a major issue, and becomes increasingly challenging due to the need for obtaining CSI of many antenna elements in massive MIMO systems. To cope with this challenge, existing works mainly focus on exploiting linear structures of CSI, such as CSI correlations in the spatial domain, to achieve dimensionality reduction. In this article, we first systematically review the state-of-the-art on CSI structure exploitation; then extend to seek for deeper structures that enable remote CSI inference wherein a data-driven deep neural network (DNN) approach is necessary due to model inadequacy. We develop specific DNN designs suitable for CSI data. Case studies are provided to demonstrate great potential in this direction for future performance enhancement.
Update on diode-pumped solid-state laser experiments for inertial fusion energy (1994)

The authors have completed the initial phase of the diode-pumped solid-state laser (DPSSL) experimental program to validate the expected pumping dynamics and extraction cross-sections of Yb{sup 3+}-doped Sr{sub 5}(PO{sub 4}){sub 3}F (Yb:S-FAP) crystals. Yb:S-FAP crystals up to 25 x 25 x 175 mm in size have been grown for this purpose which have acceptable loss characteristics (<1 %/cm) and laser damage thresholds ({approximately}20 J/cm{sup 2}). The saturation fluence for pumping has been measured to be 2.2 J/cm{sup 2} using three different methods based on either the spatial, temporal, or energy transmission properties of a Yb:S-FAP rod. The small signal gain under saturated pumping conditions was measured. These measurements imply an emission cross section of 6.0 x 10{sup {minus}20} cm{sup 2} that falls within error bars of the previously reported value of 7.3 x 10{sup {minus}20} cm{sup 2}, obtained from purely spectroscopic techniques. The effects of radiation trapping on the emission lifetime have been quantified. The long lifetime of Yb:S-FAP has beneficial effects for diode-pumped amplifier designs, relative to materials with equivalent cross sections but shorter lifetimes, in that less peak pump intensity is required (thus lower diode costs) and that lower spontaneous emission rates lead to a reduction in amplified spontaneous emission. Consequently, up to 1.7 J/cm{sup 3} of stored energy density was achieved in a 6x6x44 mm Yb:S-FAP amplifier rod; this stored energy density is large relative to typical flashlamp-pumped Nd:glass values of 0.3 to 0.5 J/cm{sup 3}. A 2.4 kW peak power InGaAs diode array has been fabricated by Beach, Emanuel, and co-workers which meets the central wavelength, bandwidth, and energy specifications for the author`s immediate experiments. These results further increase their optimism of being able to produce a {approximately} 10% efficient diode-pumped solid state laser for inertial fusion energy.
Transposing Molecular Fluorescent Switches into the Near-IR:  Development of Luminogenic Reporter Substrates for Redox Metabolism (2007)

This study reports the development of a Nd(III)-based near-IR luminescent probe for monitoring aldo-ketoreductase (AKR) enzyme activity. We have adapted a coumarin-based reporter substrate for the AKR1C2 to a near-IR emitting format by tethering the former to a macrocyclic Nd(III) moiety via an alkyl linker. Enzymatic reduction of the ketone functionality on the coumarin alters the energy transfer efficiency from the fluorophore to the emitting lanthanide species, resulting in emission at ∼1060 nm from the alcohol product. The efficiency of sensitization is not significantly affected by extending the alkyl tether from two to three carbons, and even a six-carbon linker still supports viable sensitized luminescence. In addition, the suitability of these complexes to act as enzyme substrates improves with longer linker length. We have thus developed long wavelength luminogenic reporter substrates for a redox enzyme and also a general platform for transposing molecular fluorescence into the more desirable near-IR region.
Functional replacement of the Saccharomyces cerevisiae fatty acid synthase with a bacterial type II system allows flexible product profiles (2015)

The native yeast type I fatty acid synthase (FAS) is a complex, rigid enzyme, and challenging to engineer for the production of medium- or short-chain fatty acids. Introduction of a type II FAS is a promising alternative as it allows expression control for each discrete enzyme and the addition of heterologous thioesterases. In this study, the native Saccharomyces cerevisiae FAS was functionally replaced by the Escherichia coli type II FAS (eFAS) system. The E. coli acpS + acpP (together), fabB, fabD, fabG, fabH, fabI, fabZ, and tesA were expressed in individual S. cerevisiae strains, and enzyme activity was confirmed by in vitro activity assays. Eight genes were then integrated into the yeast genome, while tesA or an alternate thioesterase gene, fatB from Ricinus communis or TEII from Rattus novergicus, was expressed from a multi-copy plasmid. Native FAS activity was eliminated by knocking out the yeast FAS2 gene. The strains expressing only the eFAS as de novo fatty acid source grew without fatty acid supplementation demonstrating that this type II FAS is able to functionally replace the native yeast FAS. The engineered strain expressing the R. communis fatB thioesterase increased total fatty acid titer 1.7-fold and shifted the fatty acid profile towards C14 production, increasing it from <1% in the native strain to more than 30% of total fatty acids, and reducing C18 production from 39% to 8%.
Insights into oscillometry: An Experimental Study for Improvement of Cuff-Based Blood Pressure Measurement Technology (2019)

Non-invasive blood pressure (BP) measurements are usually performed by means of an empirical interpretation of arterial oscillations recorded via cuff based oscillometic methods. Extensive effort has been put into development of a theoretical treatment of oscillometry aiming at more accurate BP estimations and measurement of additional hemodynamic parameters. However, oscillometry is still basically a heuristic method for BP inference.This study introduces an experimental setup and discusses experimental results to improve understanding of cuff characteristics and the process by which oscillometric signals are produced, with the aim of improving cuff-based non-invasive BP measurement technology relevant in clinical practice. The work focuses on mechanical simulations of arm volume pulsations in cuff pressure signals. The effects of air compression within the cuff and the influence of viscoelastic properties of exterior cuff material are also investigated. Additionally, arm volume changes and compressibility of arm tissue due to external cuff pressure were studied with an MRI system. Our results reveal novel insights into oscillometry and enable understanding of transducer design for cuffs including the importance of viscoelastic material properties and effects of cuff inflation on arm tissue.
Formation of renal medullary lysosomes during potassium depletion nephropathy. (1977)

A well-known adage says "diversity brings innovation". Diversity can be in culture, in thinking, in discipline, in gender, and in many more aspects. The result is the same: the chances for creating innovation in a given context increase when diversity is involved. To some extents we believe that the principle holds as well for gender diversity in ICT-related businesses. We have been investing for decades in achieving gender balance in fields related to ICT and Computer Science. We complain that too few women choose a technology-related career. But is it really true that gender diversity contributes to innovation, or more in general, brings concrete, technical advantages to the ICT outcomes? In this work we start addressing this important and strangely enough mostly unexplored problem. We carried out an interview survey in the Netherlands in four major ICT companies: Capgemini, Cisco, IBM and Oracle. We involved software architects and team leaders. An important concrete result is that we identified 7 feminine expertise flavors, out of which many are about skills required to successfully deal with the human aspects of the software industry.
ChemInform Abstract: High‐Spin Oxyphenylbenzo‐Anellated Dehydro[12]annulene. (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.
Fudan University at TRECVID 2009 High Level Feature Extraction and Copy Detection. (2009)

For high-level feature extraction, we submitted 4 automatic runs: Fudan.Global: this run is based on global features of keyframes. Fudan.Local: this run is based on local features of keyframes. Fudan.Rerank: this run is based on local features and spatial information of keyframes. Fudan.Fusion: this run is based on the fusion of global and local features of keyframes. Focus of our system was on the effective utilization of global and local visual features.
Shrinking multiplexed orbital angular momentum to the nanoscale (2021)

Orbital angular momentum interactions at the nanoscale have remained elusive because the phase structure becomes unresolved. Now researchers have shown how to overcome this with tightly focused beams, demonstrating a record-high six-dimensional encoding in an ultra-dense nanoscale volume.
ChemInform Abstract: A Preparative Route to Fused Indeno[1,2‐e][1,2,4]triazolo[4,3‐a]pyrazin‐4‐ones. (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.
Activities of imipenem-relebactam combination against carbapenem-nonsusceptible Enterobacteriaceae in Taiwan (2021)

Our study supports that imipenem-relebactam is a potential therapy against carbapenem-nonsusceptible Enterobacteriaceae, and to our knowledge, this is the first report of evaluation for imipenem-relebactam efficacy against carbapenem-nonsusceptible Enterobacteriaceae in Taiwan.