gebhart/patrepeval huggingface dataset:
SERS and Density Functional Theory Study of o-Dinitrobenzene on Cu Nanoparticles (2010)

Cu colloidal suspensions were prepared by wet chemistry methods: chemical reduction using trisodium citrate. Steadiness varied under conditions such as stirring rate, rate of addition of reducing agent, and temperature control. Sizes of nanoparticles prepared ranged from 2 to 20 nm. Morphology and sizes were characterized using high-resolution transmission electron microscopy. Enhanced Raman spectra of <i xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">o</i> -dinitrobenzene on prepared nanoparticles suspensions of Cu colloids were obtained with visible excitation at 488 and 514.5 nm. It was found that enhanced Raman signal intensities resulted from the interaction of the analytes with the metallic surface resonance plasmon of Cu nanoparticles excited at the laser frequency. The adsorption behavior of the analytes on the Cu nanoparticles was modeled with Gaussian 03 density functional theory software package. The simplified models used work reasonably well in describing some enhancement results for the Raman experiments on the noble metal colloidal suspensions.
Robust numerical modeling of currents radiating in non-birefringent anisotropic medium layers (2016)

We present and discuss numerical results from a recently proposed spectral-domain algorithm that solves modal degeneracy-based numerical instabilities present in the spectral-domain evaluation of electromagnetic (EM) fields radiated by current sources within planar Non-Birefringent Anisotropic Medium (NBAM) layers. Namely, the numerical instabilities arise from NBAM layers supporting degenerate EM field polarization states (eigenvectors) which share identical (albeit critically, non-defective) eigenvalues. The required modification to the computation chain is to analytically (i.e., prior to numerical evaluation) manipulate source-dependent spectral-domain expressions to eliminate the fictitious double-pole singularities arising from said modal degeneracies. Demonstrating the formulation's efficacy, we examine the distribution and computation error of EM fields radiated by Hertzian dipole antennas embedded within a grounded NBAM slab.
Nivolumab for Relapsed/Refractory Diffuse Large B-Cell Lymphoma in Patients Ineligible for or Having Failed Autologous Transplantation: A Single-Arm, Phase II Study (2019)

Nivolumab monotherapy is associated with a favorable safety profile but a low overall response rate among patients with DLBCL who are ineligible for auto-HCT or who experienced failure with auto-HCT. Genetic alterations of 9p24.1 are infrequent in DLBCL.
New Electron Acceptor with End-Extended Conjugation for High-Performance Polymer Solar Cells (2021)

To develop high-efficiency polymer solar cells (PSCs), the acceptors in a bulk heterojunction (BHJ) blend are supposed to possess complementary absorption bands in the near-infrared region and a suitable energy level to be well-matched with the donors. In this work, a new small molecular acceptor (SMA) named IDTT8-N based on an indacenodithienothiophene (IDTT) core was designed and synthesized. In comparison to the counterpart molecule IDTN with an indacenodithiophene (IDT) core, IDTT8-N with the extended π-conjugation length of an IDT core not only exhibits a red shift of ca. 35 nm in optical absorption but also has little change on its lowest unoccupied molecular orbital (LUMO) energy level. Therefore, PSCs based on PM6:IDTT8-N exhibit a superior short-circuit current density (Jsc) and high open-circuit voltage (Voc). Moreover, apart from the strong face-on molecular stacking, distinct end-group π–π stacking of IDTT8-N can be observed in the blends, facilitating the charge transport. Therefore, the optimized PM6:IDTT8-N-based devices exhibit dramatically high and balanced electron mobility (μe) and hole mobility (μh), whose magnitudes are over 10–3 cm2 V–1 s–1. Consequently, an extraordinary PCE of 14.1% with a relatively high Jsc of 20.98 mA cm–2 and a Voc of 0.94 V was recorded. To our knowledge, it is the new record among PSCs with a SMA based on 2-(3-oxocyclopentylidene)malononitrile (INCN) as end groups. These results indicate that extending the π-conjugation length of the fused ring core of a SMA is an efficient method to both enhance the absorption and the molecular interaction of the acceptor as well as the photovoltaic performance of PSCs.
NOX4 downregulation leads to senescence of human vascular smooth muscle cells (2016)

Senescence is a stress response characterized by an irreversible growth arrest and alterations in certain cell functions. It is believed that both double-strand DNA breaks (DSB) and increased ROS level are the main culprit of senescence. Excessive ROS production is also particularly important in the development of a number of cardiovascular disorders. In this context the involvement of professional ROS-producing enzymes, NADPH oxidases (NOX), was postulated. In contrary to the common knowledge, we have shown that not only increased ROS production but also diminished ROS level could be involved in the induction of senescence.Accordingly, our studies revealed that stress-induced premature senescence (SIPS) of vascular smooth muscle cells (VSMCs) induced by doxorubicin or H2O2, correlates with increased level of DSB and ROS. On the other hand, both SIPS and replicative senescence were accompanied by diminished expression of NOX4. Moreover, inhibition of NOX activity or decrease of NOX4 expression led to permanent growth arrest of VSMCs and secretion of interleukins and VEGF. Interestingly, cells undergoing senescence due to NOX4 depletion neither acquired DSB nor activated DNA damage response. Instead, transient induction of the p27, upregulation of HIF-1alpha, decreased expression of cyclin D1 and hypophosphorylated Rb was observed. Our results showed that lowering the level of ROS-producing enzyme - NOX4 oxidase below physiological level leads to cellular senescence of VSMCs which is correlated with secretion of pro-inflammatory cytokines. Thus the use of specific NOX4 inhibitors for pharmacotherapy of vascular diseases should be carefully considered.
Toward a Neurolexicology: A Method for Exploring the Organization of the Mental Lexicon by Analyzing Electrophysiological Signals (2012)

International audience
In vitro research on vitiligo: strategies, principles, methodological options and common pitfalls (2012)

Understanding the cellular and molecular mechanisms leading to melanocyte loss in vitiligo is a mandatory step in improving the overall management of vitiligo patients. Until now, the study of vitiligo was characterised by a fragmented approach, and it is very hard to share and compare the data obtained by the different teams. The scenario mirrors the pathogenic puzzle, but it delays a true productive focus on the disease. The in vitro research is based on different models, ranging from monolayer cell culture of epidermal and dermal cells or 3D reconstructed skin to histological data, gene expression, computer simulation profile. For each model, several different (biochemical, phenotypic, immunological) aspects have been considered, increasing the mass of data difficult to be merged. Our purpose was to provide a practical synopsis of consolidated and advanced possibilities in the study of vitiligo, showing how data have been poorly shared until now. Following a short overview of the background of the disease, the approaches, ranging from basic cell biology to molecular and 'omics' studies, are summarised. New fluorescent probes and techniques open new possibilities for functional studies. Next, intracellular and superficial markers of the melanocytes, the main involved cells, are listed. Moving the focus from the epidermal level to the systemic and subcellular ones, this review aims to propose innovative multidisciplinary options for the vitiligo understanding. This paper focuses on the major practical and theoretical questions to be solved. It may be the basis for a more coordinated and productive approach to the biological question.
A System Dynamics Model of the Modal Shift from Road to Rail: Containerization and Imposition of Taxes (2019)

Over the past decade, intermodal transport focused on reducing external cost, congestion, and carbon dioxide emissions, which have been caused by road transportation. Many policy measures for the modal shift from road to rail have been introduced to address these problems. This study aims at examining the impact of policy measures on promoting modal shift. In line with the previous research on modal shift, a system dynamics model, which can calculate both expected and real modal share, was developed. The proposed model was applied to the steel industry for steel rolled coils transport in South Korea. Under our analysis conditions, the modal shift by the containerization occurred more rapidly than taxations. The major contributions of this paper are as follows: (1) supporting the model to anticipate the modal shift from road to rail and (2) suggesting new insight to promote the modal shift using containerization.
Discovery of 2-[3,5-Dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor β Agonist in Clinical Trials for the Treatment of Dyslipidemia (2014)

The beneficial effects of thyroid hormone (TH) on lipid levels are primarily due to its action at the thyroid hormone receptor β (THR-β) in the liver, while adverse effects, including cardiac effects, are mediated by thyroid hormone receptor α (THR-α). A pyridazinone series has been identified that is significantly more THR-β selective than earlier analogues. Optimization of this series by the addition of a cyanoazauracil substituent improved both the potency and selectivity and led to MGL-3196 (53), which is 28-fold selective for THR-β over THR-α in a functional assay. Compound 53 showed outstanding safety in a rat heart model and was efficacious in a preclinical model at doses that showed no impact on the central thyroid axis. In reported studies in healthy volunteers, 53 exhibited an excellent safety profile and decreased LDL cholesterol (LDL-C) and triglycerides (TG) at once daily oral doses of 50 mg or higher given for 2 weeks.
Reducing transistor count in clocked standard cells with ambipolar double-gate FETs (2010)

This paper presents a set of circuit design approaches to achieve clocked standard logic cell functions with ambipolar double-gate devices such as the Double Gate Carbon Nanotube FET (DG-CNTFET). The cells presented in this work use the infield controllability of the device to reduce transistor count over conventional standard cells by only requiring n+1 transistors (where n is the fan-in), and achieve improved time delay by a factor of 2 for comparable power consumption.
The B′ Helix Determines Cytochrome P450nor Specificity for the Electron Donors NADH and NADPH (2002)

Nitric oxide reductase (Nor) cytochrome P450nor (P450nor) is unique because it is catalytically self-sufficient, receiving electrons directly from NADH or NADPH. However, little is known about the direct binding of NADH to cytochrome. Here, we report that oxidized pyridine nucleotides (NAD(+) and NADP(+)) and an analogue induce a spectral perturbation in bound heme when mixed with P450nor. The P450nor isoforms are classified according to electron donor specificity for NADH or NADPH. One type (Fnor, a P450nor of Fusarium oxysporum) utilizes only NADH. We found that NAD(+) induced a type I spectral change in Fnor, whereas NADP(+) induced a reverse type I spectral change, although the K(d) values for both were comparable. In contrast, NADP(+) as well as NAD(+) caused a type I spectral change in Tnor, a P450nor isozyme from Trichosporon cutaneum that utilizes both NADH and NADPH as electron donors. The B' helix region of Tnor ((73)SAGGKAAA(80)) contains some Ala and Gly residues, whereas the sequence is replaced at a few sites with more bulky amino acid residues in Fnor ((73)SASGKQAA(80)). A single mutation (S75G) significantly improved the NADPH- dependent Nor activity of Fnor, and the overall activity was accelerated via the NADPH-enhanced reduction step. These results showed that pyridine nucleotide cofactors can bind P450nor and that only a few residues in the B' helix region determine cofactor specificity. We further showed that a poor electron donor (NADPH) could also bind Fnor, but an appropriate configuration for electron transfer is blocked by steric hindrance mainly by Ser(75) against the 2'-phosphate moiety. The present results along with previous observations together revealed a novel motif for cofactor binding.
Fatal Propionic Acidemia in Mice Lacking Propionyl-CoA Carboxylase and Its Rescue by Postnatal, Liver-specific Supplementation via a Transgene (2001)

Propionic acidemia (PA) is an inborn error of metabolism caused by the genetic deficiency of propionyl-CoA carboxylase (PCC). By disrupting the alpha-subunit gene of PCC, we created a mouse model of PA (PCCA(-/-)), which died in 24-36 h after birth due to accelerated ketoacidosis. A postnatal, liver-specific PCC expression via a transgene in a far lower level than that in wild-type liver, allowed PCCA(-/-) mice to survive the newborn and early infant periods, preventing a lethal fit of ketoacidosis (SAP(+)PCCA(-/-) mice). Interestingly, SAP(+)PCCA(-/-) mice, in which the transgene expression increased after the late infant period, continued to grow normally while mice harboring a persistent low level of PCC died in the late infant period due to severe ketoacidosis, clearly suggesting the requirement of increased PCC supplementation in proportion to the animal growth. Based on these results, we propose a two-step strategy to achieve an efficient PA prevention in human patients: a partial PCC supplementation in the liver during the newborn and early infant periods, followed by a larger amount of supplementation in the late infant period.
Selective catalytic deuteration of phosphorus ligands using ruthenium nanoparticles: a new approach to gain information on ligand coordination (2015)

Phenyl rings in phenyl- or phenyl-alkylphosphines are selectively deuterated at the ortho position using Ru/PVP nanoparticles, while are fully reduced in the case of arylphosphine oxide derivatives and do not react in the case of arylphosphite. This different behavior provides information about the coordination mode of each ligand.
[Usefulness of transrectal ultrasonography in the diagnosis of anomalies of intersexual conditions]. (2003)

Ecography is an easily available technique and provides both through and detailed information of the genital structures going through the pelvic floor, a zone which is otherwise difficult to explore. It was done under sedation for the patient's age and idiosyncrasy. The experience has just started but we are sure that in the future it will replace the genitograma.
Field effect transistor based on a bi-crystal grain boundary Josephson junction (1993)

The authors have developed a planar field effect device consisting of an artificial grain boundary junction in an Y/sub 1/Ba/sub 2/Cu/sub 3/O/sub x/ (YBCO) microbridge which was covered by a 300-nm amorphous SrTiO/sub 3/ layer and a 4- mu m-wide gate electrode. The layers were grown on Y-ZrO/sub 2/ bicrystal. The current transport through the weak link, connecting the superconducting drain and source electrodes, was regulated by the voltage of the insulated gate. Devices with different misorientation angles, theta , between the two halves of the bicrystal were studied. For 45 degrees nonsymmetric tilt grain boundaries, the authors observed a strong (more than 50%) enhancement of the supercurrent at positive gate voltage and almost no change, or a slight decrease, at negative voltage. A theoretical model of the device is discussed. At positive gate voltages of 0.5 V and 8 V about 40% and 70% enchancement of the device critical current, respectively, was obtained.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Stroke survivors’ perceptions of the factors that influence engagement in activity outside dedicated therapy sessions in a rehabilitation unit: A qualitative study (2022)

At the individual level, stroke survivors perceived that their ability to be active outside of dedicated therapy sessions was influenced by their impairments, including mood, and their attitude towards and preference for activity. At the ward level, stroke survivors perceived that their ability to be active was influenced by ward set-up, rules and staff expectations. Visitors were perceived to be important facilitators of activity outside of therapy sessions.
Biosynthesis of 24,25-epoxycholesterol from squalene 2,3;22,23-dioxide. (1981)

[3H]Squalene 2,3(S);22(S),23-dioxide was prepared by incubation of [3H]mevalonate with S10 rat liver homogenate in the presence of 4,4,10 beta-trimethyl-trans-decal-3 beta-ol, a specific inhibitor of oxidosqualene cyclase (EC 5.4.99.7). Aerobic incubation of [3H]squalene 2,3(S);22(S),23-dioxide with S10 rat liver homogenate affords 24(S),25-epoxycholesterol with an efficiency comparable to that of the formation of cholesterol from squalene 2,3(S)-oxide. The product 24(S),25-epoxy-[3H]cholesterol was identified by reduction to 25-hydroxyl[3H]cholesterol and by benzoylation to 24(S),-25-epoxy[3H]cholesterol benzoate. Both the 25-hydroxy[3H]cholesterol and 24 (S),25-epoxy[3H]cholesterol benzoate were isotopically diluted and recrystallized to constant specific activity. Incubation of either [3H]squalene 2,3(S);22(S),23-dioxide or 24(S),25-epoxy[3H]cholesterol with S10 rat liver homogenate failed to produce any detectable 25-hydroxy[3H]cholesterol.
Nuclear spin isomers of guest molecules in H 2 @C 60 , H 2 O@C 60 and other endofullerenes (2013)

Spectroscopic studies of recently synthesized endofullerenes, in which H₂, H₂O and other atoms and small molecules are trapped in cages of carbon atoms, have shown that although the trapped molecules interact relatively weakly with the internal environment they are nevertheless susceptible to appropriately applied external perturbations. These properties have been exploited to isolate and study samples of H₂ in C₆₀ and other fullerenes that are highly enriched in the para spin isomer. Several strategies for spin-isomer enrichment, potential extensions to other endofullerenes and possible applications of these materials are discussed.
Synthesis of Various Phosphodiesters and Phosphomonoesters with Ribonuclease N1 (1976)

1. 3'-Guanylyl-ethanol, 3'-guanylyl-propanol, and 3'-guanylyl-alpha-glycerol were synthesized by ribonuclease N1 [EC 3.1.4.8] using guanosine 2',3'-cyclic phosphate as a phosphate donor and various alcohols as phosphate acceptors. The yields of these phosphodiesters were 15%, 13.5%, 38.2%, respectively, with respect to phosphate donor under the optimum conditions. No phosphodiester was synthesized when 2-propanol was used as a phosphate acceptor. Thus, primary alcoholic hydroxyl groups may be regarded as the preferred phosphate acceptor. 2. 3'-Guanylyl-glucose and 3'-guanylyl-ribose were synthesized using glucose and ribose as phosphate acceptors. Under the optimum conditions, the yields of guanylyl-glucose amounted to 52.0%, while that of guanylyl-ribose was much lower. The guanylyl-glucose can be regarded as 3'-guanylyl-6-glucopyranose, based on the results of periodate oxidation. 3. Neither hydroxyamino acids (serine and threonine) nor N-acetylserinamide could be phosphorylated under the conditions used for the above phosphorylations. 4. 3'-Guanylyl-glycerol obtained as above was hydrolyzed by snake venon phosphodiesterase to produce glycerol 3-phosphate. The latter consisted of L-glycerol 3-phosphate (ca 17%) and the D-isomer (ca. 83%). Ribonuclease N1 thus catalyzes an asymmetric synthesis.
An open-source platform for optical coherence tomography monte carlo simulation (2021)

We present here an open-source platform capable of simulating Optical Coherence Tomography (OCT) images to be used by the community. Such a simulator can have a variety of applications such as the training of neural networks. Our first-generation Monte Carlo simulator quantifies detected photons path length. The code achieves reasonable runtime by exploiting a bias scattering scheme. The results are then interpreted to produce an OCT A-line. A Github platform was implemented with necessary documentation (e.g. readme file and instructions guide) to allow a variety of application and geometry as well as community-based improvements over time.
Data from Preclinical Development and First-in-Human Imaging of the Integrin α<sub>v</sub>β<sub>6</sub> with [<sup>18</sup>F]α<sub>v</sub>β<sub>6</sub>-Binding Peptide in Metastatic Carcinoma (2023)

&lt;div&gt;AbstractPurpose:&lt;p&gt;The study was undertaken to develop and evaluate the potential of an integrin α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-binding peptide (α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-BP) for noninvasive imaging of a diverse range of malignancies with PET.&lt;/p&gt;Experimental Design:&lt;p&gt;The peptide α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-BP was prepared on solid phase and radiolabeled with 4-[&lt;sup&gt;18&lt;/sup&gt;F]fluorobenzoic acid. &lt;i&gt;In vitro&lt;/i&gt; testing included ELISA, serum stability, and cell binding studies using paired α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-expressing and α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-null cell lines. &lt;i&gt;In vivo&lt;/i&gt; evaluation (PET/CT, biodistribution, and autoradiography) was performed in a mouse model bearing the same paired α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-expressing and α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-null cell xenografts. A first-in-human PET/CT imaging study was performed in patients with metastatic lung, colon, breast, or pancreatic cancer.&lt;/p&gt;Results:&lt;p&gt;[&lt;sup&gt;18&lt;/sup&gt;F]α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-BP displayed excellent affinity and selectivity for the integrin α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt; &lt;i&gt;in vitro&lt;/i&gt; [IC&lt;sub&gt;50&lt;/sub&gt;(α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;) = 1.2 nmol/L &lt;i&gt;vs&lt;/i&gt; IC&lt;sub&gt;50&lt;/sub&gt;(α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;3&lt;/sub&gt;) &gt;10 μmol/L] in addition to rapid target-specific cell binding and internalization (72.5% ± 0.9% binding and 52.5% ± 1.8%, respectively). Favorable tumor affinity and selectivity were retained in the mouse model and excretion of unbound [&lt;sup&gt;18&lt;/sup&gt;F]α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-BP was rapid, primarily via the kidneys. In patients, [&lt;sup&gt;18&lt;/sup&gt;F]α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-BP was well tolerated without noticeable adverse side effects. PET images showed significant uptake of [&lt;sup&gt;18&lt;/sup&gt;F]α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-BP in both the primary lesion and metastases, including metastasis to brain, bone, liver, and lung.&lt;/p&gt;Conclusions:&lt;p&gt;The clinical impact of [&lt;sup&gt;18&lt;/sup&gt;F]α&lt;sub&gt;v&lt;/sub&gt;β&lt;sub&gt;6&lt;/sub&gt;-BP PET imaging demonstrated in this first-in-human study is immediate for a broad spectrum of malignancies.&lt;/p&gt;&lt;/div&gt;