gebhart/patrepeval huggingface dataset:
O–H hydrogen bonding promotes H-atom transfer from α C–H bonds for C-alkylation of alcohols (2015)

The efficiency and selectivity of hydrogen atom transfer from organic molecules are often difficult to control in the presence of multiple potential hydrogen atom donors and acceptors. Here, we describe the mechanistic evaluation of a mode of catalytic activation that accomplishes the highly selective photoredox α-alkylation/lactonization of alcohols with methyl acrylate via a hydrogen atom transfer mechanism. Our studies indicate a particular role of tetra-n-butylammonium phosphate in enhancing the selectivity for α C-H bonds in alcohols in the presence of allylic, benzylic, α-C=O, and α-ether C-H bonds.
Vitamin D receptor deletion leads to increased hematopoietic stem and progenitor cells residing in the spleen (2010)

Bone components participate in the regulation of hematopoietic stem cells in the adult mammal. Vitamin D regulates bone mineralization and is associated with pleiotropic effects in many cell types, including putative roles in hematopoietic differentiation. We report that deletion of the vitamin D receptor (VDR) in hematopoietic cells did not result in cell autonomous perturbation of hematopoietic stem cell or progenitor function. However, deletion of VDR in the microenvironment resulted in a marked accumulation of hematopoietic stem cells in the spleen that could be reversed by calcium dietary supplementation. These data suggest that VDR participates in restricting splenic hematopoiesis through maintenance of bone calcium homeostasis and are consistent with the concept that calcium regulation through VDR is a central participant in localizing adult hematopoiesis preferentially to bone marrow.
Executive control and its relationship to aphasia therapy outcomes (2017)

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The effect of ringing combustion on the wall heat flux during HCCI operation (2016)

Homogeneous charge compression ignition (HCCI) engines are a promising alternative to spark- and compression-ignition engines, due to their high thermal efficiency and near-zero emissions of NOx and soot. However, the maximum achievable load is limited by the occurrence of a ringing combustion. The rapid release of energy leads to pressure waves in the combustion chamber that cause a knocking sound and possible engine damage. In this work, the effect of a ringing combustion on the heat transfer is investigated. The heat flux is measured in a CFR engine under both normal and ringing combustion. It is found that the heat transfer increases when ringing occurs. This can be attributed to the increased gas motion caused by the pressure waves.
CCDC 892139: Experimental Crystal Structure Determination (2013)

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Development of rehabilitation device for hemiplegic fingers by finger-expansion facilitation exercise with stretch reflex (2013)

This paper develops a motor function recovery exercise device to perform intensive repetition of facilitation exercise for motor functional recovery of the hemiplegic fingers. On the facilitation exercise, active finger expansion can be realized and facilitated by stretch reflex. When the figer is being flexed passively, a stimulation tapping is applied instantaneously on the finger for making strech reflex and active finger expansion. Then, resistance forces are applied on the expanding finger for maintaining the strech reflex. In this paper, novel parallel mechanisms, force sensing system with high sensitivity and resistance accompanying cooperation control method are proposed for sensing, controlling and realizing the passive finger flexion, stimulation tapping, stretch reflex, active finger expansion, resistance forces and repetition facilitation exercise. The effectivities and performances of the device are shown by some experiments.
Downlink Single-Snapshot Localization and Mapping with a Single-Antenna\n Receiver (2020)

5G mmWave MIMO systems enable accurate estimation of the user position and\nmapping of the radio environment using a single snapshot when both the base\nstation (BS) and user are equipped with large antenna arrays. However, massive\narrays are initially expected only at the BS side, likely leaving users with\none or very few antennas. In this paper, we propose a novel method for\nsingle-snapshot localization and mapping in the more challenging case of a user\nequipped with a single-antenna receiver. The joint maximum likelihood (ML)\nestimation problem is formulated and its solution formally derived. To avoid\nthe burden of a full-dimensional search over the space of the unknown\nparameters, we present a novel practical approach that exploits the sparsity of\nmmWave channels to compute an approximate joint ML estimate. A thorough\nanalysis, including the derivation of the Cram\\'er-Rao lower bounds, reveals\nthat accurate localization and mapping can be achieved also in a MISO setup\neven when the direct line-of-sight path between the BS and the user is severely\nattenuated.\n
Stereochemically controlled transformations related to pyrimidine nucleosides and their analogues. (1987)

The diastereoisomeric differentiations and anomerizations of 5,6-dihydrothymidine and its anhydro derivatives were studied. In particular, the oxetane ring opening of (5S)-1-(3,5-anhydro-2-deoxy-beta-D-threopentofuranosyl)-5,6-dihydr othymine under acid catalysed conditions substantiated a number of the configurational modifications at the sugar moiety. The 1,3-dipolar cycloaddition to the pyrimidine C(5), C(6)-double bond was intramolecularly facilitated by the activation of 1-(3-azido-2-hydroxypropyl)uracil. (E)- and (Z)-1-Prop-enyl- and properly functionalized 1-propyl-uracil derivatives were also prepared and used for the synthesis of the tetrahydro-oxazolo[3,2-c]pyrimidine-5,6-(4H, 6H)dione and 9,3'-cyclo-3-propyl (or prop-1-enyl)-8-azaxanthine derivatives.
Commercial size multicrytalline silicon solar cell with ion implant emitter (2013)

This paper reports on the preliminary results of the first manufacturable ion implanted multicrystalline silicon solar cells with mean efficiency of 16.60%. The best efficiency of 16.83% is demonstrated, which is the highest reported ion implanted 243.4 cm2 multicrystalline silicon solar cell with Al back surface field. A dose of 2.8E15 atom.cm2 at 15-keV was used and annealed at implant anneal similar to the mono crystalline solar cell counterparts. The open circuit voltage of ~621 mV and the measured internal quantum efficiency (IQE) were similar to multicrystalline cells using POCl3 emitter. This results is very promising and confirms that the bulk lifetime does not degrade during the implant anneal.
EEG Abnormalities in Children with a First Unprovoked Seizure (1994)

We examined EEG findings from an ongoing study of 347 children with a first unprovoked seizure. EEGs were available in 321 (93%), and 135 (42%) had an abnormal EEG. EEG abnormalities included focal spikes (n = 77), generalized spike and wave discharges (n = 28), slowing (n = 43), and nonspecific abnormalities (n = 7). Abnormal EEGs were more common in children with remote symptomatic seizures (60%) than in those with idiopathic seizures (38%) (p < 0.003), more common in partial seizures (56%) than in generalized seizures (35%) (p < 0.001), and more common in children age > 3 years (52%) than in younger children (12%) (p < 0.001). Records including both awake and sleep tracings were available in 148 (46%) cases. For 122 (38%) only awake tracings and for 51 (16%) only sleep tracings were available. Fifty-nine (40%) of the 148 patients with both an awake and asleep tracing had abnormal EEGs. Of 50 such EEGs with epileptiform abnormalities, 15 (30%) demonstrated the abnormality either only while awake (n = 8) or only while asleep (n = 7). Of 17 patients with EEG slowing, 8 showed slowing only in the awake tracing and 9 showed slowing in both the awake and asleep tracing. Children with even a single unprovoked seizure have a high incidence of EEG abnormalities. Obtaining a combined awake and sleep EEG significantly increases the yield of EEG abnormalities. In children with an idiopathic first seizure, EEG abnormalities are associated with an increased risk of seizure recurrence.
A Structural Model for the Ligand Binding of Pneumococcal Serotype 3 Capsular Polysaccharide-Specific Protective Antibodies (2021)

Capsular polysaccharides (CPSs) are major virulence factors that decorate the surfaces of many human bacterial pathogens. In their pure form or as glycoconjugate vaccines, CPSs are extensively used in vaccines deployed in clinical practice worldwide. However, our understanding of the structural requirements for interactions between CPSs and antibodies is limited. A longstanding model based on comprehensive observations of antibody repertoires binding to CPSs is that antibodies expressing heavy chain variable gene family 3 (VH3) predominate in these binding interactions in humans and VH3 homologs in mice. Toward understanding this highly conserved interaction, we generated a panel of mouse monoclonal antibodies (MAb) against Streptococcus pneumoniae serotype 3 CPS, determined an X-ray crystal structure of a protective MAb in complex with a hexasaccharide derived from enzymatic hydrolysis of the polysaccharide, and elucidated the structural requirements for this binding interaction. The crystal structure revealed a binding pocket containing aromatic side chains, suggesting the importance of hydrophobicity in the interaction. Through mutational analysis, we determined the amino acids that are critical in carbohydrate binding. Through elucidating the structural and functional properties of a panel of murine MAbs, we offer an explanation for the predominant use of the human VH3 gene family in antibodies against CPSs with implications in knowledge-based vaccine design. <b>IMPORTANCE</b> Infectious diseases caused by pathogenic bacteria are a major threat to human health. Capsular polysaccharides (CPSs) of many pathogenic bacteria have been used as the main components of glycoconjugate vaccines against bacterial diseases in clinical practice worldwide, with various degrees of success. Immunization with a glycoconjugate vaccine elicits T cell help for B cells that produce IgG antibodies to the CPS. Thus, it is important to develop an in-depth understanding of the interactions of carbohydrate epitopes with the antibodies. Structural characterization of the ligand binding of polysaccharide-specific antibodies laid out in this study may have fundamental biological implications for our comprehension of how the humoral immune system recognizes polysaccharide antigens, and in future knowledge-based vaccine design.
Deep-Ultraviolet Resonance Raman Excitation Profiles of NH<sub>4</sub>NO<sub>3</sub>, PETN, TNT, HMX, and RDX (2012)

We measured the dispersion of the absolute-differential Raman crosssections of ammonium nitrate (NH 4 NO 3 ), pentaerythritol tetranitrate (PETN), trinitrotoluene (TNT), nitroamine (HMX), and cyclotrimethylene-trinitramine (RDX) in acetonitrile and water solutions between 204 and 257 nm. The ultraviolet (UV) resonance Raman/differential Raman cross-sections of NH 4 NO 3 , PETN, TNT, HMX, and RDX dramatically increase as the excitation wavelength decreases deep into the UV to 204 nm. NH 4 NO 3 , PETN, and RDX are best resonance-enhanced by the 204 nm excitation used here, while the optimum excitation wavelength for TNT and HMX is ~230 nm. The excitation profile of TNT roughly follows its absorption band shape. The excitation profiles for the different Raman bands of each explosive molecule differ, indicating that multiple-excitation wavelength spectra are not redundant and can offer additional information on the species present. We see no evidence of any nonlinear spectral response or sample degradation at the fluences and spectral accumulation times used here. However, we previously observed such phenomena at longer spectral accumulation times and higher fluences. These results are promising for the development of standoff deep-UV Raman methods for explosive molecule determinations.
Nuclear accumulation of plasmid DNA can be enhanced by non-selective gating of the nuclear pore (2007)

One of the major obstacles in non-viral gene transfer is the nuclear membrane. Attempts to improve the transport of DNA to the nucleus through the use of nuclear localization signals or importin-beta have achieved limited success. It has been proposed that the nuclear pore complexes (NPCs) through which nucleocytoplasmic transport occurs are filled with a hydrophobic phase through which hydrophobic importins can dissolve. Therefore, considering the hydrophobic nature of the NPC channel, we evaluated whether a non-selective gating of nuclear pores by trans-cyclohexane-1,2-diol (TCHD), an amphipathic alcohol that reversibly collapses the permeability barrier of the NPCs, could be obtained and used as an alternative method to facilitate nuclear entry of plasmid DNA. Our data demonstrate for the first time that TCHD makes the nucleus permeable for both high molecular weight dextrans and plasmid DNA (pDNA) at non-toxic concentrations. Furthermore, in line with these observations, TCHD enhanced the transfection efficacy of both naked DNA and lipoplexes. In conclusion, based on the proposed structure of NPCs we succeeded to temporarily open the NPCs for macromolecules as large as pDNAs and demonstrated that this can significantly enhance non-viral gene delivery.
Tables S1-S7 from The Mutation-Associated Neoantigen Functional Expansion of Specific T Cells (MANAFEST) Assay: A Sensitive Platform for Monitoring Antitumor Immunity (2023)

&lt;p&gt;Supplementary Tables containing information pertaining to the viral epitopes evaluated, expanded clonotypes, clonotypes detected in pentamer-sorted populations, and the MANAs evaluated in patient JH124&lt;/p&gt;
Low Rates of Reporting Race, Ethnicity, and Socioeconomic Status in Studies Published in Top Orthopaedic Journals (2022)

Failure to report key demographics makes it difficult for practitioners to determine whether study results apply to their patient populations. In addition, when orthopaedic interventions are evaluated without accounting for potential disparities by demographics, clinicians may incorrectly assume that the overall benefits and risks reported in studies apply equally to all patients.
Auroramycin: A Potent Antibiotic from <i>Streptomyces roseosporus</i> by CRISPR‐Cas9 Activation (2018)

Silent biosynthetic gene clusters represent a potentially rich source of new bioactive compounds. We report the discovery, characterization, and biosynthesis of a novel doubly glycosylated 24-membered polyene macrolactam from a silent biosynthetic gene cluster in Streptomyces roseosporus by using the CRISPR-Cas9 gene cluster activation strategy. Structural characterization of this polyketide, named auroramycin, revealed a rare isobutyrylmalonyl extender unit and a unique pair of amino sugars. Relative and absolute stereochemistry were determined by using a combination of spectroscopic analyses, chemical derivatization, and computational analysis. The activated gene cluster for auroramycin production was also verified by transcriptional analyses and gene deletions. Finally, auroramycin exhibited potent anti-methicillin-resistant Staphylococcus aureus (anti-MRSA) activity towards clinical drug-resistant isolates.
Organo-arsenic Molecular Layers on Silicon for High-Density Doping (2015)

This article describes for the first time the controlled monolayer doping (MLD) of bulk and nanostructured crystalline silicon with As at concentrations approaching 2 × 10(20) atoms cm(-3). Characterization of doped structures after the MLD process confirmed that they remained defect- and damage-free, with no indication of increased roughness or a change in morphology. Electrical characterization of the doped substrates and nanowire test structures allowed determination of resistivity, sheet resistance, and active doping levels. Extremely high As-doped Si substrates and nanowire devices could be obtained and controlled using specific capping and annealing steps. Significantly, the As-doped nanowires exhibited resistances several orders of magnitude lower than the predoped materials.
Geometry classification by means of scattering matrix decomposition for ultra-wideband radar (2013)

In this paper a quasi mono-static, quad-polarized imaging system for short-range UWB-Radar is presented. The Pauli scattering matrix decomposition is applied onto the gathered Radar data to break down the polarimetric backscattering signature into a sum of elementary scattering contributions. Subsequently a simple but innovative single bounce ↔ double bounce dominance criterion is applied which successfully classifies image segments according to occurring scattering mechanisms. Novel wideband antennas with high polarization purity and equal phase centres in both polarizations are introduced. Experimental Validation is carried out with a pair of these antennas and an M-sequence Radar device.
Challenge Determining a Combustion System Concept for Downsized SI-engines - Comparison and Evaluation of Several Options for a Boosted 2-cylinder SI-engine (2013)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;To meet future CO₂ emissions limits and satisfy the bounds set by exhaust gas legislation reducing the engine displacement while maintaining the power output ("Downsizing") becomes of more and more importance in the SI engine development process. The total number of cylinders per engine has to be reduced to keep the thermodynamic disadvantages of a small combustion chamber layout as small as possible. Doing so new challenges arise concerning the mechanical design, the design of the combustion system concept as well as strategies maintaining a satisfying transient torque behavior. To address these challenges a turbocharged 2-cylinder SI engine was designed for research purposes by Weber Motor GmbH and Robert Bosch GmbH. The design process was described in detail in last year's paper SAE 2012-01-0832.&lt;/div&gt;&lt;div class="htmlview paragraph"&gt;Since the engine design is very modular it allows for several different engine layouts which can be examined and evaluated. This paper shows a comparison between three major combustion system concepts: - Gasoline Direct Injection, - Advanced Gasoline Port-fuel Injection, and - Compressed Natural Gas Port-fuel Injection.&lt;/div&gt;&lt;div class="htmlview paragraph"&gt;As a first step the engine behavior was examined using different turbochargers on the test bed to find the best match for a 2-cylinder engine application, especially with respect to low-end torque and transient behavior. Subsequently the 2-cylinder engine was equipped with three different combustion system concepts and tested on the engine test bed using the standard measurement equipment including high and low pressure indication. The concepts will be evaluated on the basis of their low-end torque and transient performance. Therefore a measurement method and a key performance index were defined. Additionally the influence of the combustion system concept choice on fuel consumption and CO₂ emissions will be evaluated using drive cycle simulations. For each concept the advantages and challenges will be highlighted and discussed.&lt;/div&gt;&lt;/div&gt;
A novel synthesis of nezukone via the rearrangement of a bicyclic isomer: evidence for the intermediacy of heptafulvenes (1985)

M. G. Banwell, G. L. Gravatt and C. E. F. Rickard, J. Chem. Soc., Chem. Commun., 1985, 514 DOI: 10.1039/C39850000514
On cooperative encoding with partially known non-causal interference (2009)

We consider a three-terminal Gaussian relay channel corrupted by a Gaussian interference. We assume that the interference is non-causally known to only some, i.e, not to all, the terminals. We examine two different scenarios: 1) both the source and the relay, but not the destination, know the interference and collaborate to cancel out its effect and 2) only the source knows the interference. The first scenario exhibits some symmetry and we refer to it as “informed source and relay”. The second scenario exhibits some asymmetry and we refer to it as “informed source only”. For the Gaussian relay channel with informed source and relay, we derive a lower bound on channel capacity, based on the source and the relay both employing standard dirty paper coding (DPC) and the relay using the decode-and-forward scheme. We also show that this lower bound meets with the cut-set bound, and thus gives capacity, if the channel is degraded. For the Gaussian relay channel with informed source only, we derive a lower bound on channel capacity. This lower bound is based on a generalized DPC that consists in a combination of partial cancellation of the known interference and standard DPC. In the asymmetric scenario, the performance characterizations reveal that, by opposition to Costa's initial DPC, it may be beneficial that the informed source uses a part of its power to (partially) cancel the effect of this interference so that the uninformed relay benefits from this cancellation.
Types de risque médical et leur traitement avec des méthodes de TAL (2016)

L'objectif de ce travail est d'étudier le risque médical et la manière dont il est traité avec les méthodes de TAL. Le domaine médical est en effet intimement lié avec le risque. D'une part, la médecine a la vocation de traiter les patients qui présentent des risques multiples de développer des maladies. Toutes les étapes de prise en charge sont entachées d'un degré plus ou moins important d'incertitude : incertitude diagnostique, incertitude de la réaction individuelle au traitement, incertitude de l'évo-lution, etc. D'autre part, le processus de soins médicaux peut également générer le risque chez les patients. Nous proposons une classification de risques médicaux. Nous analysons aussi plus en détail certains types de risques, en particulier ceux qui sont traités avec des méthodes de TAL.
Nondenaturing polyacrylamide gel electrophoresis to study the dissociation of the p53·MDM2/X complex by potentially anticancer compounds (2015)

A new analytical method to study the dissociation of the complexes between the oncosuppressor p53 and its negative modulators murine double-minute protein 2 (MDM2) or MDMX, is proposed. This technique is reliable to determine the dissociative power exerted by small molecules on the complex taking advantage of the appearance of migrating MDM2 or MDMX in a native polyacrylamide gel, when inhibitors are added to the complex mixture. Therefore, we propose this new approach to easily screen library of compounds, with potential pharmacological anticancer activity.