gebhart/patrepeval huggingface dataset:
Polyferrocenylsilane Microspheres:  Synthesis, Mechanism of Formation, Size and Charge Tunability, Electrostatic Self-Assembly, and Pyrolysis to Spherical Magnetic Ceramic Particles (2002)

Pt(0)-catalyzed ring-opening precipitation copolymerization of [1]silaferrocenophanes fcSiMe(2) (3) and the spirocyclic cross-linker fcSi(CH(2))(3) (4) (fc = Fe(eta(5)-C(5)H(4))(2)) was used to prepare polyferrocenylsilane microspheres (PFSMSs) under mild conditions. By varying the reaction conditions, a wide variety of other morphologies was obtained. The effects of temperature, monomer ratio, solvent composition, catalyst concentration, and time on the observed morphology were investigated and interpreted in terms of a mechanism for microsphere formation. The most well-defined particles were formed using equimolar amounts of 3 and 4, in a 50:50 mixture of xylenes and decane at 60 degrees C with gentle agitation. Chemical oxidation of the polymeric microspheres led to positively charged particles (OPFSMSs) which underwent electrostatically driven self-assembly with negatively charged silica microspheres to form core-corona composite particles. Redox titration with controlled amounts of the one-electron oxidant [N(C(6)H(4)Br-p)(3)][PF(6)] in acetonitrile led to the oxidation of the outer 0.15 microm (ca. 32%) of the PFSMSs. The resulting OPFSMSs were reduced back to their neutral form by reaction with hydrazine in methanol. Pyrolysis of the PFSMSs led to spherical magnetic ceramic replicas with tunable magnetic properties that organize into ordered 2-D arrays at the air-water interface under the influence of a magnetic field.
Molecular dynamics conformations of deltorphin analogues advocate delta opioid binding site models. (1995)

Multi-site binding models for the delta opioid receptor were studied in vitro with [3H]DPDPE as the labeled ligand using analogues of deltorphin C (H-Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2) altered at position 4. Modifications included a change in chirality (L- to D-Asp4), increased length of the anionic side-chain (Glu4), elimination of the charged group (Abu4), addition of an anionic group (Gla4), and change in backbone conformation (Pro4). All of the peptides had relatively high delta affinities (0.09 to 1.15 nM); the major variability in delta selectivity resided in changes in mu affinities (1.6 to 530 nM). Three analogues (Glu4, D-Asp4 and Pro4) revealed better fits to two-site binding models (Hill coefficients < 0.850 with narrow 95% confidence intervals and P < 0.0001). Deltorphin C and analogues containing Gla4 and Abu4 (which were weakly delta selective), as well as deltorphin A (H-Tyr-D-Met-Phe-His-Leu-Met-Asp-NH2), fitted one-site binding models. Molecular dynamics simulations performed on deltorphin C and Abu4 exhibited similarities in the tertiary structure of their low energy conformers, while differing from the three-dimensional structures of the analogues containing Glu4, D-Asp4 and Pro4 substitutions. The data provide support that the three-dimensional architecture of an opioid peptide is an important factor in the designation of delta opioid receptor subtypes.
DETERMINATION OF CISPLATIN IN HUMAN BLOOD PLASMA AND URINE USING LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY FOR ONCOLOGICAL PATIENTS WITH A VARIETY OF FATTY TISSUE MASS FOR PREDICTION OF TOXICITY (2017)

Clearance of cisplatin, which was determined by the chromatographic method, is reduced in individuals with increased adipose tissue mass. Research data suggest that overweight affects cisplatin elimination from the body. The greater body fat mass can contribute to a greater rise of triglyceride level in blood serum. Triglycerides in blood plasma may serve as an additional indicator of higher cisplatin toxicity as a cardiotoxicity marker.
Direct identification of neoantigen-specific TCRs from tumor specimens by high-throughput single-cell sequencing (2021)

This single-cell approach provides an efficient process to isolate antigen-specific TCRs for research and clinical applications.
On the robustness of the TNO model for aerofoil self-noise prediction (2015)

For attached flow, aerofoil self-noise is dominated by the interaction of a turbulent boundary-layers with a sharp trailing-edge. This present paper presents the robustness of well know TNO model for the prediction of aerofoil self-noise predictions. This paper experimentally investigates the effect of aerofoil thickness on trailing edge self-noise. We show that trailing edge noise exhibits a complex dependence on thickness, where it is observed that, very roughly, the spectral shape shifts towards lower frequencies as thickness is increased. In this paper we attempt to capture this behaviour using the theoretical framework developed by Blake in which trailing-edge noise sources are formulated in terms of the boundary layer quantities. Important parameters in the solution to the Poisson equation are the wall-normal gradient of streamwise velocity, the length scale of the energycontaining turbulent eddies, the normal vertical Reynolds stress, as well as its spectral decomposition. These quantities are obtained from hot-wire measurements in the flow. The robustness of the widely used TNO-blake formulation for predicting aerofoil self-noise has been examined which arises due to uncertainty in the boundary layer profile measurements. Finally, classical flat plate theory is used to predict the far-field radiated noise using surface pressure spectrum predicted from the Blake’s model.
ChemInform Abstract: Simple and Conjugate Bifunctional Thiophosphonates: Synthesis and Potential as Anti‐Viral Agents (1993)

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.
Fabrication, assembly, and testing of rf mems capacitive switches using flexible printed circuit technology (2003)

A novel approach for cost effective fabrication, assembly, and packaging of radio-frequency microelectromechanical systems (RF MEMS) capacitive switches using flexible circuit processing techniques is reported. The key feature of this approach is the use of most commonly used flexible circuit film, Kapton-E polyimide film, as the movable switch membrane. The physical dimensions of these switches are in the mesoscale range. For example, electrode area and gap height of a capacitive shunt switch on coplanar waveguide are 2 /spl times/ 1 mm/sup 2/ and 43 /spl mu/m, respectively. Pull-down voltage is in the range of 90-100 V. In the ON state (up-position), the insertion loss is less than 0.3-0.4 dB up to 30 GHz. In OFF state (down-position), the isolation value is about 15 dB at 12 GHz and increases to 36 dB at 30 GHz. These switches are uniquely suitable for batch integration with printed circuits and antennas on laminate substrates.
Continuous Selective Hydrogenation of Refametinib Iodo-nitroaniline Key Intermediate DIM-NA over Raney Cobalt Catalyst at kg/day Scale with Online UV–Visible Conversion Control (2017)

The continuous selective hydrogenation of the iodo-nitroaromatic refametinib active pharmaceutical ingredient (API) intermediate (2,3-difluoro-5-methoxy-6-nitro-phenyl)-(2-fluoro-4-iodo-phenyl)-amine (DIM-NA) to the corresponding iodo-aniline 3,4-difluoro-N2-(2-fluoro-4-iodo-phenyl)-6-methoxy-benzene-1,2-diamine (DIM-DAB) was investigated using a conventional Raney cobalt catalyst in a cocurrent trickle-bed reactor. Suitable reaction conditions targeting full conversion and high selectivity, that is, low degrees of hydro-dehalogenation of the labile iodine substituent, were evaluated in investigations employing a short 4 mL screening reactor. The process was then transferred to a longer 40 mL reactor. Raney cobalt was found to be a highly selective catalyst, yielding only very small amounts of the desiodinated aniline desiodo-DIM-DAB or other side products. Productivities up to 144 g/h crude DIM-DAB were achieved operating the 40 mL reactor with a 0.2 M reactant solution in the presence of 3.4 equiv of H2 at 60 °C. Inlet pressure resulting from the flow rate increase was identified as a key parameter for successful throughput maximization. One kilogram of starting material was eventually converted to DIM-DAB in high yield and excellent quality within 8 h runtime. Online monitoring of the UV–vis absorption of the product stream allowed for conversion control and fast detection of process variations. Compared to the available DIM-NA batch reduction procedures, processing in continuous flow proves convincing by the safe implementation and reusability of the Raney type catalyst within a strongly intensified and highly selective process.
Multifunctional Alleles: A novel method for the generation of “All-In-One” null and conditional alleles (2019)

The engineering of conditional alleles has evolved from simple floxing of regions of genes to more elaborate methods. Previously, we developed Conditional by Inversion (COIN), an allele design that utilizes an exon-splitting intron and an invertible genetrap-like module (COIN module) to create null alleles upon Cre-mediated inversion. Here we build upon COINs by generating a new Multifunctional Allele (MFA), that utilizes a single gene-targeting step and three site-specific recombination systems, to generate four allelic states: 1. The initial MFA (generated upon targeting) functions as a null with reporter (plus drug selection cassette) allele, wherein the gene of interest is inactivated by both inversion of a critical region of its coding sequence and simultaneous insertion of a reporter gene. MFAs can also be used as 'reverse-conditional' alleles as they are functionally wild type when they are converted to COIN alleles. 2. Null with reporter (minus drug selection cassette), wherein the selection cassette, the inverted critical region, and the COIN module are removed. 3. COIN-based conditional-null via removal of the selection cassette and reporter and simultaneous re-inversion of the critical region of the target. 4. Inverted COIN allele, wherein the COIN allele in turn is reconverted to a null allele by taking advantage of the COIN module's gene trap while simultaneously deleting the critical region.
Evaluation of World Reference Base for Soil Resources and FAO Soil Map of the World using nationwide grid soil data from Denmark (1999)

Abstract. Soil classification is a tool for stratifying and generalizing information on soil resources but most systems are tailored to handle only slightly disturbed soil. We tested the applicability of the legend of the FAO‐Unesco Soil Map of the World and the new World Reference Base for Soil Resources by classifying at the highest order 831 profiles from a nationwide 7 km grid survey in Denmark, where soils are developed in Quaternary glacial and marine sediments and intensively farmed. Comparison of the variability of pH and % clay +% silt of the master horizons (A, E, B, and C) within and between the major well‐drained soil groupings shows that liming, fertilizing and ploughing have produced significantly deeper A‐horizons with higher pH, lower % humus and C:N ratios on the two‐thirds of the country that is cultivated. ‘Anthropogenic’ mollic and umbric horizons are a common result but the liming causes a random final classification of these surface horizons and, hence, random allocation of the soils in both systems. It separates cultivated soils and their undisturbed equivalents, and results in considerable within‐group variation in soil texture. Grouping of cultivated and undisturbed soils, on the other hand, results in wide within‐horizon pH ranges for most groups, again compromising the advantage of making useful general statements on the basis of classification. We propose that anthropogenic mollic and umbric horizons should be allowed in any soil group and that ‘anthric properties’ should be used to distinguish between profoundly changed cultivated soils and largely undisturbed soils, hereby constructing a two‐tier system within each highest‐order soil group. We classified the soils according to this proposal. The results show generally narrower ranges for both pH and % clay +% silt. We evaluated the within‐group homogeneity by multivariate analysis of variance of pH, % clay +% silt, % clay, % humus, C:N ratio, exchangeable cations, and CEC. The results (Wilks's Lamda) show a higher degree of group compactness compared to the original FAO and World Reference Base systems.
Mesures de la composition corporelle et de la densité minérale osseuse par une méthode d'absorptiométrie X multi-énergie (2003)

La technique d'absorptiometrie X bi-energie (DXA) est preferentiellement utilisee pour quantifier la densite minerale osseuse et ainsi diagnostiquer la decalcification osseuse (osteropose). Recemment, cette technique a ete adaptee a la quantification de la composition corporelle (pourcentage de graisse des patients). Or, des artefacts de mesure existent et engendrent une fraction de diagnostics errones. Le but de notre these est d'ameliorer ces mesures de densite minerale osseuse et de composition corporelle, aussi bien au niveau de la reproductibilite que de l'exactitude. Nous avons donc optimise les conditions d'acquisition afin d'ameliorer la reproductibilite des mesures et avons propose une methode afin de corriger les erreurs d'exactitudes sur les mesures de la densite minerale osseuse. Des resultats experimentaux encourageants ont ete obtenus sur des fantomes synthetiques et sur des pieces biologiques.
Sparse Clustered Bayesian-Inspired $T_{1}-T_{2}$ Inversion From Borehole NMR Measurements (2017)

This paper is interested in joint T <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1</sub> - T <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> inversion from borehole nuclear magnetic resonance (NMR) measurements when a limited number of wait times (WTs) are used. Unlike a straightforward representation of the multi-WT NMR measurements over an overcomplete kernel matrix and using a sparsity-aware inversion method, the paper proposes to exploit the two-dimensional sparsity in the T <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1</sub> - T <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> domain and the smoothness (i.e., the local cluster feature) simultaneously by using a sparse clustered signal representation. To enable a fully automated workflow for borehole NMR logging operations, a sparse clustered Bayesian-inspired algorithm is developed to exploit the sparsity in the solution space while learning the noise statistics. It in turn mitigates a cumbersome issue of selecting regularization parameters in deterministic sparsity-aware methods and reduces the human intervention. Several enhancements are discussed to reduce the computational complexity and improve the robustness at low signal-to-noise ratios. The proposed algorithm has been tested on synthetic datasets and lab samples and the results confirm its effectiveness.
Determination of the Evolution of Heterogeneous Single Metal Atoms and Nanoclusters under Reaction Conditions: Which Are the Working Catalytic Sites? (2019)

Identification of active sites in heterogeneous metal catalysts is critical for understanding the reaction mechanism at the molecular level and for designing more efficient catalysts. Because of their structural flexibility, subnanometric metal catalysts, including single atoms and clusters with a few atoms, can exhibit dynamic structural evolution when interacting with substrate molecules, making it difficult to determine the catalytically active sites. In this work, Pt catalysts containing selected types of Pt entities (from single atoms to clusters and nanoparticles) have been prepared, and their evolution has been followed, while they were reacting in a variety of heterogeneous catalytic reactions, including selective hydrogenation reactions, CO oxidation, dehydrogenation of propane, and photocatalytic H<sub>2</sub> evolution reaction. By in situ X-ray absorption spectroscopy, in situ IR spectroscopy, and high-resolution electron microscopy techniques, we will show that some characterization techniques carried out in an inadequate way can introduce confusion on the interpretation of coordination environment of highly dispersed Pt species. Finally, the combination of catalytic reactivity and in situ characterization techniques shows that, depending on the catalyst-reactant interaction and metal-support interaction, singly dispersed metal atoms can rapidly evolve into metal clusters or nanoparticles, being the working active sites for those abovementioned heterogeneous reactions.
(Invited) Low Temperature Thermoelectric Power Factor from Completely Organic Thin Films Enabled By Carbon Nanostructures (2017)

In an effort to create a paintable/printable thermoelectric material, comprised exclusively of organic components, polyaniline (PANi), graphene, and double-walled carbon nanotubes (DWNT) were alternately deposited from aqueous solutions using the layer-by-layer assembly technique. Graphene and DWNT are stabilized with an intrinsically conductive polymer, poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS). A 1 µm thick film, composed of 80 PANi/graphene-PEDOT:PSS/PANi/DWNT-PEDOT:PSS quadlayers (QL) exhibits electrical conductivity ( σ ) of 1.88 X 10 5 S/m and a Seebeck coefficient ( S ) of 120 µV/K, producing a thermoelectric power factor ( S 2 ∙ σ ) of 2710 µW/(m∙K 2 ). This is the highest value ever reported for a completely organic material measured at room temperature. Furthermore, this performance matches or exceeds that of commercial bismuth telluride. These outstanding properties are attributed to the highly ordered structure in the multilayer assembly. The thermoelectric power output increased with the number of cycles deposited, yielding 8.5 nW at 80 QL for ΔT = 5.6 K. A simple thermoelectric generator was prepared with selectively-patterned, fabric-based system. The electric voltage generated by each TE device increased in a linear relationship with both ΔT and the number of TE legs, producing ~ 5 mV with just five legs and a ΔT of 9.5 K. This unique TE coating system is water-based and uses only organic components. For the first time, there is a real opportunity to harness waste heat from unconventional sources, such as body heat to power devices in an environmentally-benign way. Figure 1
A Fully Integrated Split-Electrode SSHC Rectifier for Piezoelectric Energy Harvesting (2019)

In order to efficiently extract power from piezoelectric vibration energy harvesters, various active rectifiers have been proposed in the past decade, which include synchronized switch harvesting on inductor (SSHI), synchronous electric charge extraction (SECE), and so on. Although reported active rectifiers show good performance improvements compared to full-bridge rectifiers (FBRs), large off-chip inductors are typically required and the system volume is inevitably increased as a result, counter to the requirement for system miniaturization. In this paper, a fully integrated split-electrode synchronized switch harvesting on capacitors (SSHC) rectifier is proposed, which achieves significant performance enhancement without employing any off-chip components. The proposed circuit is designed and fabricated in a 0.18-μm CMOS process and it is co-integrated with a custom microelectromechanical systems (MEMS) piezoelectric transducer with its electrode layer equally split into four regions. The measured results show that the proposed rectifier can provide up to 8.2× and 5.2× boost, using on-chip and off-chip diodes, respectively, in harvested power compared to an FBR under low excitation levels and the peak rectified output power achieves 186 μW.
Black-Box Model-Based Active Damping of Driveline Oscillations (2021)

This paper presents a driveline active damping strategy for electric vehicles. We first propose a black-box identification of the main oscillation modes of a transmission of a 4 Wheel Driven electric vehicle. We identify the models in a variety of conditions. We then design the active damping control using ${\mathcal{H}_\infty }$ considerations on the identified models. Extensive experimental validation shows that the active damping reduces of 24% the longitudinal jerk during sharp acceleration maneuvers without negatively affecting the longitudinal acceleration. Furthermore, we test the controller under a variety of condition to assess its robustness with respect to transmission load variations, friction changes and velocity.
Perturbative modeling of irregularities in microstructure optical fibers (2004)

Geometrical irregularities can severely restrict use of some microstructure fibers. A systematic perturbative method is demonstrated against full calculations, and allows efficient loss and effective-index estimates for large statistical samples of geometrical irregularities.
Novel Acid Amplifier Generating Disulfonimide as Superacid (2017)

Disulfonimide acid amplifier which produces superacid was newly designed and synthesized. This compound exhibited high acid generation efficiency and thermal stability on a polymer film. Further, this compound enhanced the sensitivity in the positive chemically amplified photoresist system.