gebhart/patrepeval huggingface dataset:
Synthesis of New Phosphino Amino Alcohol Ligands via Ortho-Alkyllithiation Reactions. Versatile Coordination Behavior toward Copper(I) and Palladium(II) (1998)

2-[Methyl(2-methylphenyl)amino]ethanol undergoes an ortho-alkyllithiation reaction with n-butyllithium to lead to a new mixed benzyllithium−lithium alkoxide. This organolithium species reacts with PPh2Cl, with selective P−C bond formation, to afford the ligand 2-[methyl(2-((diphenylphosphino)methyl)phenyl)amino]ethanol L1. The coordination of the ligand L1 to copper(I) leads to the complex [Cu(L1)2](BF4), whose structure has been determined by an X-ray diffraction study. In the solid state, one of the ligands acts as a monodentate phosphine while the other adopts a tridentate P,N,O coordination mode. A variable-temperature 31P NMR study demonstrated the existence of an equilibrium between the two modes in solution, with a coalescence temperature of ca. 0 °C, indicating a double-hemilabile behavior for the nitrogen and the oxygen functions. L1 reacts with [Pd(Me)(Cl)(COD)] to give a dinuclear complex in which the ligand appears to behave as a bridging anionic P,O ligand. Such a complex could serve as a model for a key intermediate in the proposed mechanism for the homogeneous catalysis of the methoxycarbonylation of propyne by certain palladium(II) complexes containing P,N ligands. L1 can undergo a second ortho-alkylmetalation reaction with n-butyllithium which, after addition of PPh2Cl, provides the new ligand 2-{methyl[2-(bis(diphenylphosphino)methyl)phenyl]amino}ethanol (L2) in high yield.
Electrically Engineered Band Gap in Two-Dimensional Ge, Sn, and Pb: A First-Principles and Tight-Binding Approach (2015)

First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of an external electric field in combination with spin-orbit coupling. Tight-binding calculations based on four orbitals per atom and an effective single orbital are presented to match with the results obtained from first-principles calculations. In particular, the electronic band structure and the band splitting are investigated with both models. Moreover, the simple $k\cdot p$ model is also considered in order to understand the band splitting in the presence of an external electric field and spin-orbit coupling. A large splitting is obtained, which is expected to be useful for spintronic devices. The fair agreement between the first-principle, $k\cdot p$ model, and tight-binding approaches leads to a table of parameters for future tight-binding studies on hexagonal 2-D nanostructures. By using the tight binding parameters, the transport properties of typical 0-D triangular quantum dots between two semi-infinite electrodes in the presence of spin-orbit coupling are addressed.
V-Scope extendable intubation stylet (2012)

The V-Scope extendable intubation stylet is designed to be used in conjunction with video laryngoscopy. It has both flexion and extension properties which facilitate tracheal intubation.
Resonant tunnel magnetoresistance in double-barrier magnetic tunnel junctions: A non-equilibrium Green's function study (2013)

The non-equilibrium Green's function technique is used to study the transport characteristics of double-barrier magnetic tunnel junctions. The exchange coupling strength of the electrodes is found to be crucial in deciding the magnetoresistance characteristics of these devices. At sufficiently large values of the magnetic coupling strength, the device is found to exhibit resonant tunnel magnetoresistance and its magnitude is found to be large. The existence of pure spin currents in these devices when there is antiferromagnetic coupling between the end electrodes is found to be the primary cause of resonant tunnel magnetoresistance. The influence of the band occupation of the electrodes and the many-body interaction present in the electrode regions on the spin current and magnetoresistance are also studied.
High density optical waveguide using hybrid spiral pattern (2023)

A hybrid spiral waveguide geometry is proposed that exhibits essentially zero curvature (i.e., infinite bend radius) at the center of the spiral (similar to a Fermat spiral), with the curvature then increasing in value as the spiral moves outward. Advantageously, as the spiral moves away from the center, the spacing between adjacent waveguides quickly approaches a constant value (similar to an Archimedean spiral). This hybrid spiral structure has been found to allow for a high density waveguide to be created with lower loss and requiring a smaller size than many conventional spiral configurations and finds use in optical delay lines, amplifiers and arrayed waveguide gratings.
Making slides in LTEX with Prosper (2004)

The prosper class permits producing high quality slides; it is also easily extendable. This documentation is meant to be a user manual as well as a technical note describing how to create your own styles. 1 Using the class LTEX files using the prosper class may be eventually translated into two different formats: • the Adobe PostScript format for printing transparencies; • the Adobe Portable Document Format (PDF) for displaying slides on computers with Acrobat Reader in full-screen mode. When translated into PDF files, prosper slides benefit from additional possibilities such as transition effects between slides and incremental display of a slide with several animation effects. The currently supported transitions are: • Split: two lines sweep across the screen revealing the new slide; • Blinds: multiple lines, evenly distributed across the screen, appear and synchronously sweep in the same direction to reveal the new slide; • Box: a box sweeps from the center, revealing the new slide; • Wipe: a single line sweeps across the screen from one edge to the other, revealing the new slide; • Dissolve: the old page image dissolves to reveal the new slide; • Glitter: similar to Dissolve, except the effect sweeps across the image in a wide band moving from one side of the screen to the other; • Replace: the effect is simply to replace the old page with the new page. Figure 1 presents a bird’s-eye view of the structure of a LTEX file using the prosper class.
In Vivo Activation of Duocarmycin–Antibody Conjugates by Near-Infrared Light (2017)

Near-IR photocaging groups based on the heptamethine cyanine scaffold present the opportunity to visualize and then treat diseased tissue with potent bioactive molecules. Here we describe fundamental chemical studies that enable biological validation of this approach. Guided by rational design, including computational analysis, we characterize the impact of structural alterations on the cyanine uncaging reaction. A modest change to the ethylenediamine linker (<i>N</i>,<i>N</i>'-dimethyl to <i>N</i>,<i>N</i>'-diethyl) leads to a bathochromic shift in the absorbance maxima, while decreasing background hydrolysis. Building on these structure-function relationship studies, we prepare antibody conjugates that uncage a derivative of duocarmycin, a potent cytotoxic natural product. The optimal conjugate, CyEt-Pan-Duo, undergoes small molecule release with 780 nm light, exhibits activity in the picomolar range, and demonstrates excellent light-to-dark selectivity. Mouse xenograft studies illustrate that the construct can be imaged <i>in vivo</i> prior to uncaging with an external laser source. Significant reduction in tumor burden is observed following a single dose of conjugate and near-IR light. These studies define key chemical principles that enable the identification of cyanine-based photocages with enhanced properties for <i>in vivo</i> drug delivery.
Websphere version 6: web services handbook: development and deployment (2005)

Application Server V6.0 Rational Application Developer V6.0 Latest Web services technologies and standards Best practices and advanced techniques This IBM Redbook describes the concepts of Web services from various perspectives. It presents the major building blocks on which Web services rely. Here, well-defined standards and new concepts are presented and discussed. While these concepts are described as vendor independent, this book also presents the IBM view and illustrates with suitable demonstration applications how Web services can be implemented using the IBM product portfolio, especially IBM Application Server Version 6.0 and IBM Rational Application Developer for Software Version 6.0. This redbook is a rewrite of the redbook WebSphere Version 5.1 Application Developer 5.1.1 Web Services Handbook, SG24-6891-01. The new book covers the latest specifications in regard to Web services and Web services security. The new book uses the same weather forecast application as the base for all examples, but updated to Version 6 of the products. This book is structured into three parts: Part 1 presents the underlying concepts, architectures, and specifications for the use of Web services. Part 2 shows how Web services can be implemented and deployed using the latest IBM products. Here, we introduce the weather forecast application, which we use in many ways to demonstrate these concepts and features. Part 3 shows some advanced techniques, such as Web services security, interoperability, and the service integration bus.
Powder diffraction and pair distribution function analysis by using multilayer X-ray optics and Ag radiation (2009)

Multilayer X-ray optics are used on diffractometers mostly for Cu, Co or Cr Ka radiation. For these wavelengths the Q-range in reciprocal space is limited to approximately 8 -1 which is not enough for some applications. This can be overcome by use of harder X-rays like Ag radiation. Advantages of this higher photon energy are the higher penetration depth and the increased number of detectable reflections in the reciprocal space up to 20 -1 . It is also possible to use capillaries with larger inner diameters without having problems with sample absorption. We will show powder diffraction results measured with parallel beam geometry ( TMA -Twin Mirror Arrangement) as well as with focusing geometry. By using high quality X-ray multilayer mirrors it is possible to resolve even very close reflections within a certain angular range as we will show for a LaB 6 capillary powder sample. The diffraction pattern also shows a vastly increased number of reflections The large Q-range also allows to determine the pair distribution function even for amorphous and nanocrystalline samples.
Etching of high k/metal gates in high density plasmas (2005)

International audience
Déposition des cellules pulpaires humaines et des multicouches de polyelectrolites (MPEs) par spray pour la fonctionnalisation des biomatériaux. (2012)

National audience
Specialization of tuna: A numerical study on the function of caudal keels (2020)

Tunas are known for their extraordinary swimming performance, which is accomplished through various specializations. The caudal keels, a pair of lateral keel-like structures along the caudal peduncle, are a remarkable specialization in tunas and have convergently arisen in other fast-swimming marine animals. In the present study, the hydrodynamic function of caudal keels in tuna was numerically investigated. A three-dimensional model of yellowfin tuna with caudal keels was constructed based on previous morphological and anatomical studies. Vortical structures and pressure distributions are analyzed to determine the mechanisms of thunniform propulsion. A leading-edge vortex and a trailing-edge vortex are attached to the caudal fin and enhance the thrust. By comparing models of tuna with and without caudal keels, it is demonstrated that caudal keels generate streamwise vortices that result in negative pressure and reduce the transverse force amplitude. Moreover, the orientations of the streamwise vortices induced by caudal keels are opposite to those on the pressure side of the caudal fin. Therefore, caudal keels reduce the negative effects of the streamwise vortices adjacent to the caudal fin and thereby enhance the thrust on the caudal fin. A systematic study of the effects of variations in the Strouhal number (St), the Reynolds number (Re), and the cross-sectional shape of the body on the swimming of tuna is also presented. The effects of caudal keels are magnified as Re and St increase, whereas the cross-sectional shape has no major influence on the caudal keel mechanism.
A Temperature Model For Ultrasonic Measurement of Titanium Welds (1995)

Ultrasonic techniques can be used to detect and locate the edge of a molten weld pool. However, to determine the size of the weld pool correctly from transit time of echoes (ultrasonic data) returned from the pool, a correction due to the temperature gradients must be included. No such data for titanium has been reported so far. This data is a must to allow real-time control and monitoring of the weld quality. The present paper investigates how the measured ultrasonic data was affected by temperature. 80th plain sheets and weld on plate of 2.3 mm titanium alloy sheet (Ti-6AI-4V) were used in this study. An attempt was then made to provide a methodology to determine the necessary correction when computing the weld pool diameter. It has been shown that the traveling time of the ultrasonic shear wave changes positively and the wave velocity changes inversely with temperature. Moreover, the weld pool diameter as ultrasonically measured was found to be smaller than the actual due to changes in the microstructure in the heat-affected-zone. A compensation value has been determined and applied so as to estimate the real pool diameter. To extend this methodology to a real-time application, a fast-enough data acquisition system is suggested to compute the pool size simultaneously and instantaneously. Also, using the Lagrange interpolation method, a polynomial with power of 3 has been obtained for the ultrasonic response on this titanium alloy at elevated temperatures. However, this non-linearity has no adverse impact on the result given in this paper.
Bombesin Analogue-Mediated Delivery Preferentially Enhances the Cytotoxicity of a Mitochondria-Disrupting Peptide in Tumor Cells (2013)

Tumor-homing peptides that recognize specific markers on tumor cells have shown potential as drug carriers for targeted cancer therapy. Bombesin receptors are frequently overexpressed or ectopically expressed in a wide range of human tumors. Bombesin and its analogues have been widely used as drug carriers for tumor imaging and tumor therapy. However, the cargos used in previous studies, including radioactive and chemotherapeutic agents, are usually small molecules. Mitochondrial-disrupting peptides depolarize the mitochondria and trigger apoptosis after entering tumor cells. We are interested in whether the bombesin analogue, Bn(6-14), which contains a bombesin receptor-binding motif, can specifically deliver the mitochondria-disrupting peptide, B28, to tumor cells. To this end, we created a chimeric peptide, B28Bn(6-14), by conjugating B28 to Bn(6-14) at its N-terminus. The cytotoxicity of B28Bn(6-14) in tumor cells was much stronger than unconjugated B28. The IC50 values of B28Bn(6-14) in tumor cells (1.7-3.5 µM) were approximately 10 times lower than B28. However, conjugation of B28 to Bn(2-7), which lacks the bombesin receptor-binding motif, did not increase its cytotoxicity. In addition, the IC50 values of B28Bn(6-14) in tumor cells (1.7-3.5 µM) was 3-10 times lower than in normal cells (10.8-16.8 µM). We found that selective binding of B28Bn(6-14) to tumor cells is Bn(6-14)-dependent. Upon entering the tumor cell, B28Bn(6-14) accumulated in the mitochondria and triggered caspase-dependent apoptosis. Intratumoral and intraperitoneal administration of B28Bn(6-14) substantially suppressed the growth of DU145 tumor xenografts in mice. These results demonstrate that Bn(6-14) is able to deliver the mitochondria-disrupting peptide to tumor cells, and B28Bn(6-14) should be further developed as novel anti-cancer agent.
Reactant-Induced Photoactivation of a Gold-Catalyzed Csp2-Csp Cross-Coupling Leading to Indoles (2021)

A novel access to 2,3-disubstituted indoles from o-alkynyl aniline and iodoalkyne derivatives via a gold-catalyzed sequence under visible-light irradiation and in the absence of an exogenous photocatalyst was uncovered. A wide scope of the process was observed. Of note, 2-iodo-ynamides that have never been used in any organometallic cross-coupling reaction could be used as electrophiles. The resulting N-alkynyl indoles lend themselves to post-functionalization affording valuable scaffolds, notably benzo[a]carbazoles. Mechanistic studies converged on the fact that a potassium sulfonyl amide generates emissive aggregates in the reaction medium. Static quenching of these aggregates by a vinylgold(I) intermediate yields to an excited state of the latter, which can react with an electrophile via oxidative addition and reductive elimination to forge the key C-C bond. This reactant-induced photoactivation of an organogold intermediate opens rich perspectives in the field of cross-coupling reactions.
BRAF Mutations and the Utility of RAF and MEK Inhibitors in Primary Brain Tumors (2019)

BRAF mutations have been identified as targetable, oncogenic mutations in many cancers. Given the paucity of treatments for primary brain tumors and the poor prognosis associated with high-grade gliomas, BRAF mutations in glioma are of considerable interest. In this review, we present the spectrum of BRAF mutations and fusion alterations present in each class of primary brain tumor based on publicly available databases and publications. We also summarize clinical experience with RAF and MEK inhibitors in patients with primary brain tumors and describe ongoing clinical trials of RAF inhibitors in glioma. Sensitivity to RAF and MEK inhibitors varies among BRAF mutations and between tumor types as only class I BRAF V600 mutations are sensitive to clinically available RAF inhibitors. While class II and III BRAF mutations are found in primary brain tumors, further research is necessary to determine their sensitivity to third-generation RAF inhibitors and/or MEK inhibitors. We recommend that the neuro-oncologist consider using these drugs primarily in the setting of a clinical trial for patients with BRAF-altered glioma in order to advance our knowledge of their efficacy in this patient population.
Polygenic prediction of PTSD trajectories in 9/11 responders (2020)

Psychiatric PRSs prospectively predicted WTC-related PTSD lifetime diagnosis, average symptom severity, and 18-year trajectory in responders to 9/11 disaster. Jointly, PRSs were more predictive of subsequent PTSD than the exposure severity. In the future, PRSs may help identify at-risk responders who might benefit from targeted prevention approaches.
Blood lymphocyte subpopulations in extrinsic and intrinsic asthmatics. (1987)

Blood leukocyte numbers and proportions of T lymphocyte subsets were studied in extrinsic asthmatics (EA), intrinsic asthmatics (IA), IA systemically treated with corticosteroids (IA + C), and in age-matched control subjects. The EA and IA showed an increased number of eosinophils. During corticosteroid therapy of IA, the eosinophil number remained elevated, whereas there was a slight decrease in the number of circulating lymphocytes. The proportion of T cells of the suppressor/cytotoxic phenotype carrying the Leu-2a antigen was significantly lower in the IA than in all other groups. In the IA + C group, the proportions of Leu-3a/3b and Leu-2a positive T lymphocytes returned to normal, although the patients still exhibited asthmatic symptoms. These findings suggest that cellular immunologic factors might be involved in the pathogenesis of intrinsic asthma.
Evaluation of clinical assessments of social abilities for use in autism clinical trials by the autism biomarkers consortium for clinical trials (2023)

Clinical trials in autism spectrum disorder (ASD) often rely on clinician rating scales and parent surveys to measure autism-related features and social behaviors. To aid in the selection of these assessments for future clinical trials, the Autism Biomarkers Consortium for Clinical Trials (ABC-CT) directly compared eight common instruments with respect to acquisition rates, sensitivity to group differences, equivalence across demographic sub-groups, convergent validity, and stability over a 6-week period. The sample included 280 children diagnosed with ASD (65 girls) and 119 neurotypical children (36 girls) aged from 6 to 11 years. Full scale IQ for ASD ranged from 60 to 150 and for neurotypical ranged from 86 to 150. Instruments measured clinician global assessment and autism-related behaviors, social communication abilities, adaptive function, and social withdrawal behavior. For each instrument, we examined only the scales that measured social or communication functioning. Data acquisition rates were at least 97.5% at T1 and 95.7% at T2. All scales distinguished diagnostic groups. Some scales significantly differed by participant and/or family demographic characteristics. Within the ASD group, most clinical instruments exhibited weak (≥ |0.1|) to moderate (≥ |0.4|) intercorrelations. Short-term stability was moderate (ICC: 0.5-0.75) to excellent (ICC: >0.9) within the ASD group. Variations in the degree of stability may inform viability for different contexts of use, such as identifying clinical subgroups for trials versus serving as a modifiable clinical outcome. All instruments were evaluated in terms of their advantages and potential concerns for use in clinical trials.
A Simple Near-Capacity Concatenation Scheme Over MISO Channels (2009)

This paper proposes a capacity-approaching, yet simple scheme over a multiple-input single-output (MISO) wireless fading channel, which is very common in the downlink of a cellular system. The proposed scheme is based on a concatenation of a mixture of short memory-length convolutional codes or repe
Selective depletion of stored calcium by thapsigargin blocks rotavirus maturation but not the cytopathic effect (1995)

Rotavirus matures inside the endoplasmic reticulum (ER), a site of intracellular calcium storage. Total cell Ca2+ depletion has been shown to impair virus maturation, arresting this process at the membrane-enveloped intermediate form following its budding into the ER. On the other hand, rotavirus infection leads to an increase in the internal Ca2+ concentration ([Ca2+]i) and sequestered Ca2+ pools. We have used thapsigargin, an inhibitor of the Ca(2+)-ATPase of the ER, to release stored Ca2+ and to study its role in rotavirus morphogenesis and cytopathic effect. Thapsigargin (0.1 to 1 microM) released stored Ca2+ from MA-104 cells, as measured by chlorotetracycline fluorescence. The concentration of cytoplasmic Ca2+, measured with fura2, increased in infected cells whether treated or not with thapsigargin. Infectivity was decreased dose dependently by thapsigargin (3 log units at 0.25 to 1 microM). In infected cells treated with thapsigargin, glycosylation of VP7 and NS28 was inhibited. Electron microscopy of infected cells treated with thapsigargin showed normal synthesis of viroplasm. However, only membrane-enveloped, not double-shelled, particles could be observed within the ER. The conformation of VP7 in infected cells treated with thapsigargin appeared to be altered, as suggested by decreased immunofluorescence reactivity with monoclonal antibodies to highly conformation-dependent VP7 epitopes. The progression of cell death in infected cells, as measured by penetration of ethidium bromide, was not affected by thapsigargin. These results indicate that rotavirus maturation depends on a high sequestered [Ca2+], specifically in the ER. Cell death is the result of the accumulation of a viral product and is not related to the production of infective particles. This viral product(s) may be responsible for the increase in [Ca2+]i, which in turn leads to cell death.