gebhart/patrepeval huggingface dataset:
On-Ball Doping of Fullerenes: The Electronic Structure ofC59N Dimers from Experiment and Theory (1997)

We present the first studies of the electronic structure of the heterofullerene $({\mathrm{C}}_{59}\mathrm{N}{)}_{2}$ using electron energy-loss spectroscopy in transmission, photoemission spectroscopy, and density functional theory calculations. Both the C 1s excitation spectra and valence band photoemission show negligible occupation of the C-derived lowest unoccupied electronic states and indicate localization of the excess electrons at the N atoms. The experimental results, together with the detailed analysis of our theoretical data, provide compelling evidence for the chemical picture of a triply coordinated N atom with a lone pair in each heterofullerene unit, and confirm the theoretically predicted ``6,6 closed'' structure for the dimer.
Synthesis of methylated phenylalanines via hydrogenolysis of corresponding 1,2,3,4‐tetrahydroisoquinoline‐3‐carboxylic acids (1994)

A new method of synthesizing ortho-methylated phenylalanines has been developed. Phenylalanines with at least one free ortho-position undergo a Pictet-Spengler cyclization with formaldehyde followed by hydrogenolytic splitting of the endocyclic benzylic C--N bond of 1,2,3,4-tetrahydroisoquinolines and afford corresponding ortho-methyl derivatives. Repeating this reaction sequence on the ortho-substituted phenylalanines yielded ortho,ortho-disubstituted derivatives, and para-substituted phenylalanines yielded ortho,para-disubstituted analogs. Our modified method of cyclization preserved the configuration at the chiral center: hydrogenolysis, on the other hand, led to racemization. Incorporation of the methylated phenylalanines into position 2 of oxytocin led to, in the case of the D-isomers, potent uterotonic inhibitors.
Synthesis and Human β-Adrenoceptor Activity of 1-(3,5-Diiodo-4- methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-ol Derivatives in Vitro (2000)

Trimetoquinol (1, TMQ) is a potent nonselective beta-adrenergic receptor (AR) agonist and a thromboxane A(2)/prostaglandin endoperoxide (TP) receptor antagonist, while 3',5'-diiodo-TMQ (2) exhibits beta(3)-AR selectivity. In search of selective beta(3)-AR agonists as potential drugs for the treatment of human obesity and type II diabetes mellitus, a series of 1-(3, 5-diiodo-4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-ols has been prepared and evaluated for their biological activities at human beta(1)-, beta(2)-, and beta(3)-ARs expressed in Chinese hamster ovary (CHO) cells. The compounds have been synthesized by the Bischler-Napieralski cyclization of corresponding amides followed by NaBH(4) reduction, and the halogens in the aromatic ring A were introduced by direct halogenation of protected compound 11. Whereas halogen substitution in ring A reduced either potency or intrinsic activity on beta(3)-AR, the non-halogen-substituted compounds 8 and 10 were potent, selective, nearly full agonists for beta(3)-AR.
Why Stop Now? Predicting Worker Engagement in Online Crowdsourcing (2013)

We present studies of the attention and time, or engagement, invested by crowd workers on tasks. Consideration of worker engagement is especially important in volunteer settings such as online citizen science. Using data from Galaxy Zoo, a prominent citizen science project, we design and construct statistical models that provide predictions about the forthcoming engagement of volunteers. We characterize the accuracy of predictions with respect to different sets of features that describe user behavior and study the sensitivity of predictions to variations in the amount of data and retraining. We design our model for guiding system actions in real-time settings, and discuss the prospect for harnessing predictive models of engagement to enhance user attention and effort on volunteer tasks.
Thermal gas-phase etching of titanium nitride (TiN) by thionyl chloride (SOCl2) (2020)

In this work, thermal based gas-phase etching of titanium nitride (TiN) is demonstrated using thionyl chloride (SOCl2) as a novel etchant. A single etchant is utilised in a pulsed fashion to etch TiN. This type of etching technique may also be considered as a chemical gas-phase or dry etching. The removed TiN amount was measured by various techniques like spectroscopic ellipsometry (SE), weighing balance and in some cases X-ray reflectometry (XRR). Additionally, the post-etch surfaces were analysed with X-ray photoelectron spectroscopy (XPS) and bright field transmission electron microscopy (BF-TEM). The surface roughness and morphology of before and after etching TiN films were measured using atomic force microscopy (AFM). The etch per cycle (EPC) was calculated and is plotted as a function of SOCl2 pulse time, purge time after SOCl2 exposure, number of etch cycles and etch temperature (Tetch). An increase in EPC with an increase in SOCl2 pulse time as well as etch temperature was observed. SOCl2 is able to etch TiN starting from 270 °C with an EPC of about 0.03 Å to almost 1.2 Å at 370 °C. Arrhenius plot determined the activation energy (Ea) of about 25 kcal/mol for TiN etching by SOCl2. In addition, the etch selectivity between different substrates such as silicon dioxide (SiO2), silicon nitride (Si3N4) and aluminum oxide (Al2O3) was investigated on blanket as well as 3D structures. Moreover, thermodynamic calculations were performed for various possible etch reactions. Titanium from TiN is proposed to be etched in the form of either titanium trichloride (TiCl3) or titanium tetrachloride (TiCl4). Nitrogen from TiN films may form volatile by-products such as diatomic nitrogen (N2), nitrous oxide (N2O) and nitrogen dioxide (NO2).
Single Molecule Force Spectroscopy of Salt-dependent Bacteriophage T7 Gene 2.5 Protein Binding to Single-stranded DNA (2006)

The gene 2.5 protein (gp2.5) encoded by bacteriophage T7 binds preferentially to single-stranded DNA. This property is essential for its role in DNA replication and recombination in the phage-infected cell. gp2.5 lowers the phage lambda DNA melting force as measured by single molecule force spectroscopy. T7 gp2.5-Delta26C, lacking 26 acidic C-terminal residues, also reduces the melting force but at considerably lower concentrations. The equilibrium binding constants of these proteins to single-stranded DNA (ssDNA) as a function of salt concentration have been determined, and we found for example that gp2.5 binds with an affinity of (3.5 +/- 0.6) x 10(5) m(-1) in a 50 mm Na(+) solution, whereas the truncated protein binds to ssDNA with a much higher affinity of (7.8 +/- 0.9) x 10(7) m(-1) under the same solution conditions. T7 gp2.5-Delta26C binding to single-stranded DNA also exhibits a stronger salt dependence than the full-length protein. The data are consistent with a model in which a dimeric gp2.5 must dissociate prior to binding to ssDNA, a dissociation that consists of a weak non-electrostatic and a strong electrostatic component.
DCLK1 is correlated with MET and ERK5 expression, and associated with prognosis in malignant pleural mesothelioma (2017)

Malignant pleural mesothelioma (MPM) is an aggressive cancer for which more effective treatments are needed. In this study, strong to moderate staining of MET and ERK5 was detected in 67.1 and 48% of the analyzed 73 human mesothelioma tumors, and significant correlation of MET and ERK5 expression was identified (P<0.05). We evaluated the doublecortin-like kinase 1 (DCLK1) expression in human mesothelioma tumors. Our results showed that 50.7% of the immunohistochemistry analyzed human mesothelioma tumors have strong to moderate staining of DCLK1, and its expression is significantly correlated with MET or ERK5 expression (P<0.05). Also, the upregulation of DCLK1 is correlated with poor prognosis in MPM patients (P=0.0235). To investigate whether DCLK1 is downstream of MET/ERK5 signaling in human mesothelioma, the effect of DCLK1 expression was analyzed after treatments with either the MET inhibitor XL184 or the ERK5 inhibitor XMD8-92 in human mesothelioma cell lines. Our results showed that the MET inhibitor XL184 reduced the expression of phospho‑ERK5 and DCLK1 expression in human mesothelioma cell lines. In addition, the ERK5 inhibitor XMD8-92 reduced the expression of phospho-ERK5 and DCLK1 expression in human mesothelioma cell lines. Furthermore, XML184 and XMD8-92 treatment impaired invasion and tumor sphere formation ability of H290 mesothelioma cells. These results suggest that DCLK1 is regulated by MET/ERK5 signaling in human mesothelioma, and the MET/ERK5/DCLK1 signaling cascade could be further developed into a promising therapeutic target against mesothelioma.
Nonclinical Characterization of Bexmarilimab, a Clever-1–Targeting Antibody for Supporting Immune Defense Against Cancers (2022)

Common lymphatic endothelial and vascular endothelial receptor-1 (Clever-1) is a multifunctional type-1 transmembrane protein that plays an important role in immunosuppression against tumors. Clever-1 is highly expressed in a subset of human tumor-associated macrophages and associated with poor survival. In mice, Clever-1 supports tumor growth and metastasis formation, and its deficiency or blockage induces T-cell-dependent killing of cancer cells. Therefore, targeting Clever-1 could lead to T-cell activation and restoration of immune response also in patients with cancer. This is studied in an on-going clinical trial [Macrophage Antibody To INhibit immune Suppression (MATINS); NCT03733990] in patients with advanced solid tumors where bexmarilimab, a humanized IgG4 antibody against human Clever-1, shows promising safety and efficacy. Here, we report the humanization and nonclinical characterization of physicochemical properties, biological potency, and safety profile of bexmarilimab. Bexmarilimab showed high affinity to Clever-1 on KG-1 cells and bound to Clever-1 on the surface of classical and intermediate monocytes derived from healthy human blood. Bexmarilimab inhibited the internalization of its natural ligand acetylated low-density lipoprotein into KG-1 cells and increased TNFα secretion from macrophages but did not impair phagocytic clearance. Bexmarilimab did not induce significant cytokine release in human whole-blood cultures, did not contain nonsafe immunogenic glycans, or show any significant binding to human Fcγ receptors or complement pathway component C1q. In vivo, bexmarilimab showed dose-dependent duration of monocyte Clever-1 receptor occupancy in cynomolgus monkeys but did not induce a cytokine storm up to a dose of 100 mg/kg. In conclusion, these data support the clinical development of bexmarilimab for the restoration of immune response in cancers.
ADAMTS-1 is involved in normal follicular development, ovulatory process and organization of the medullary vascular network in the ovary (2005)

To clarify the role of disintegrin-like and metalloproteinase with thrombospondin type I motifs-1 (ADAMTS-1) in ovarian function, we examined abnormalities in ovulatory processes, folliculogenesis and the vascular system of ADAMTS-1 null ovaries. First, when immature female mice were treated with pregnant mare serum gonadotropin (PMSG)/human chorionic gonadotropin (hCG), the number of ovulated oocytes was markedly decreased in ADAMTS-1 null mice in comparison to ADAMTS-1 (+/-) controls. The proportion of anovulated follicles to total mature follicles was significantly higher in ADAMTS-1 null females when compared with controls. The numbers of growing follicles at each stage were counted. The number of follicles at type 5b (late preantral) and later stages was markedly reduced in ADAMTS-1 null mice, irrespective of gonadotropin treatment (no gonadotropins, PMSG alone or PMSG/hCG). These data demonstrate that impairment of ovarian function to ovulate oocytes in ADAMTS-1 null mice occurs at two different levels: in the development of growing follicles and ovulatory processes. Furthermore, ADAMTS-1 null ovaries included a number of unusual atretic follicles that showed no sign of oocyte degeneration but lost the surrounding granulosa cell layers and were considered to be derived from type 4 or 5a follicles. These results suggest that ADAMTS-1 is important for follicular development beyond the type 4 and/or 5a and for maintaining normal granulosa cell layers in follicles. Finally, the number of large blood vessels in the medullar zone was significantly decreased in ADAMTS-1 null mice ovaries, suggesting that ADAMTS-1 is also involved in the organization of the medullary vascular network.
CD47 Enhances In Vivo Functionality of Artificial Antigen-Presenting Cells (2015)

Our data for the first time show that aAPC functionalized with CD47 maintain their stimulatory capacity in vitro and demonstrate enhanced in vivo efficiency. Thus, these next-generation aAPC(CD47+) have a unique potential to enhance the application of the aAPC technology for future immunotherapy approaches.
INVESTIGATION OF ACCELERATION PERFORMANCE FEELING ON A ROTARY ENGINE SPORTS CAR WITH DRIVING SIMULATOR. IN: HUMAN FACTORS IN DRIVING, SEATING AND VISION (2003)

This paper aims to clarify the influence of acceleration characteristics, acceleration pedal controllability and engine sound on the subjective evaluation of the acceleration performance feeling, and to compare the extent of these factor's influences on a rotary engine sports car with that of an in-line four-cylinder engine sedan. Subjective evaluation tests of Acceleration Performance Feeling with a driving simulator were conducted on a rotary engine sports car. Influencing factors were analyzed through the experimental design and the influences of acceleration, gas pedal controllability, engine sound and their interactions were quantified. Results show that that the interactions must be considered in addition to main effect of each factor to improve users' performance feeling evaluation, especially on a rotary engine sports car. Findings also indicate that influencing factors are different between a rotary engine sports car and an in-line four-cylinder engine sedan. For the evaluation of the operation mode of entering into a freeway, the tone of the engine sound and maximum engine torque have large influences on the in-line four-cylinder engine sedan and the electric throttle characteristic has a large influence on both car types.
Li15P4S16Cl3, a Lithium Chlorothiophosphate as a Solid-State Ionic Conductor (2019)

Tremendous efforts have been devoted to the design of solid Li<sup>+</sup> electrolytes and the development of all-solid-state batteries. Compared with conventional Li-ion batteries, which use flammable liquid organic electrolytes, all-solid-state batteries show significant advantages in safety. In this work, a novel lithium chlorothiophosphate compound, Li<sub>15</sub>P<sub>4</sub>S<sub>16</sub>Cl<sub>3</sub>, is discovered. The crystal structure and electrochemical properties are investigated. Li<sub>15</sub>P<sub>4</sub>S<sub>16</sub>Cl<sub>3</sub> can be synthesized as a pure phase via a facile solid-state reaction by heating a ball-milled mixture of Li<sub>2</sub>S, P<sub>2</sub>S<sub>5</sub>, and LiCl at 360 °C. The crystal structure of Li<sub>15</sub>P<sub>4</sub>S<sub>16</sub>Cl<sub>3</sub> was refined against neutron and synchrotron powder X-ray diffraction data, revealing that it crystallizes in the space group <i>I</i>4̅3<i>d</i>. The Li<sup>+</sup> transport in Li<sub>15</sub>P<sub>4</sub>S<sub>16</sub>Cl<sub>3</sub> was also investigated by multiple solid-state NMR methods, including variable-temperature NMR line-shape analysis, NMR relaxometry, and pulsed-field-gradient NMR. Li<sub>15</sub>P<sub>4</sub>S<sub>16</sub>Cl<sub>3</sub> shows good thermodynamic stability and can be synthesized at relatively low temperature. Although it exhibits a low ionic conductivity at room temperature, it can serve as a new motif crystal structure for the design and development of new solid-state electrolytes.
Oxide confinement: A revolution in VCSEL technology (2005)

In just three years since its first introduction,1,2 the oxide-confined VCSEL has come to dominate much of the semiconductor laser research effort.3-9
Computer simulation of the effect of changing abdominal thickness on the electrogastrogram (1998)

The effect of different abdominal thickness on cutaneous recordings of gastric electrical activity (GEA) known as electrogastrograms (EGG) have not been adequately studied. The stomach was represented as a truncated conoid in spherical system of coordinates. Gastric electrical field was modelled using previously described methodology. Electrical voltages were calculated in simulated standard cutaneous recordings. The effect of increased thickness of the abdominal layers was quantitatively examined. Changes of the thickness of the abdominal layers significantly affected signal-to-noise ratio of EGG. When the critical abdominal thickness of 7 cm was exceeded, EGGs were quantified as abnormal although the internal GEA was normal. Computer modelling indicated that changeable abdominal thickness caused by the abdominal layers separating the stomach from the recording electrodes significantly influence the EGG recordings even if the layers are homogeneous.
Analysis and Measurement of Three-Dimensional Torque and Forces for Slotless Permanent-Magnet Motors (2012)

Slotless windings, both skewed and rhombic, are widely used in industry. In addition to the drive torque, possibly undesirable transverse torques and forces are generated. An analytical derivation of the torque and force components in all three directions is detailed in this paper for the skewed and the rhombic windings. It is shown that, for some winding configurations, alternating transverse torque components are generated, which may compromise stable operation in applications where, for example, magnetic or gas bearings are involved. Finite-element method results, which enable the transverse torque for various winding geometries to be quantified, are also included. Finally, the theoretical results are verified by measurements.
Slide-tags: scalable, single-nucleus barcoding for multi-modal spatial genomics (2023)

Recent technological innovations have enabled the high-throughput quantification of gene expression and epigenetic regulation within individual cells, transforming our understanding of how complex tissues are constructed. Missing from these measurements, however, is the ability to routinely and easily spatially localise these profiled cells. We developed a strategy, Slide-tags, in which single nuclei within an intact tissue section are 'tagged' with spatial barcode oligonucleotides derived from DNA-barcoded beads with known positions. These tagged nuclei can then be used as input into a wide variety of single-nucleus profiling assays. Application of Slide-tags to the mouse hippocampus positioned nuclei at less than 10 micron spatial resolution, and delivered whole-transcriptome data that was indistinguishable in quality from ordinary snRNA-seq. To demonstrate that Slide-tags can be applied to a wide variety of human tissues, we performed the assay on brain, tonsil, and melanoma. We revealed cell-type-specific spatially varying gene expression across cortical layers and spatially contextualised receptor-ligand interactions driving B-cell maturation in lymphoid tissue. A major benefit of Slide-tags is that it is easily adaptable to virtually any single-cell measurement technology. As proof of principle, we performed multiomic measurements of open chromatin, RNA, and T-cell receptor sequences in the same cells from metastatic melanoma. We identified spatially distinct tumour subpopulations to be differentially infiltrated by an expanded T-cell clone and undergoing cell state transition driven by spatially clustered accessible transcription factor motifs. Slide-tags offers a universal platform for importing the compendium of established single-cell measurements into the spatial genomics repertoire.
ResearchArticle Annealing Kinetic Model Using Fast and Slow Metastable Defects for Hydrogenated-Amorphous-Silicon-Based Solar Cells (2007)

Received 1 February 2007; Accepted 17 April 2007Recommended by Armin G. AberleThe two-component kinetic model employing “fast” and “slow” metastable defects for the annealing behaviors in pin-typehydrogenated-amorphous-silicon- (a-Si:H-) based solar cells is simulated using a normalized ﬁll factor. Reported annealing dataon pin-type a-Si:H-based solar cells are revisited and ﬁtted using the model to conﬁrm its validity. It is veriﬁed that the two-component model is suitable for ﬁtting the various experimental phenomena. In addition, the activation energy for annealingof the solar cells depends on the deﬁnition of the recovery time. From the thermally activated and high electric ﬁeld annealingbehaviors, the plausible microscopic mechanism on the defect removal process is discussed.Copyright © 2007 Seung Yeop Myong.ThisisanopenaccessarticledistributedundertheCreativeCommonsAttributionLicense,which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
ChemInform Abstract: A Second Generation Photochemically Activatable Dynemicin Analogue: A Concise Synthesis and DNA Cleavage Studies. (1995)

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.
Swell and Destroy: A Metal–Organic Framework-Containing Polymer Sponge That Immobilizes and Catalytically Degrades Nerve Agents (2020)

Organophosphorus chemical warfare agents function as potent neurotoxins. Whilst the destruction of nerve agents is most readily achieved by hydrolysis, their storage and transport are hazardous and lethal in milligram doses, with any spillage resulting in fatalities. Furthermore, current decontamination and remediation measures are limited by a need for stoichiometric reagents, solvents, and buffered solutions, complicating the process for the treatment of bulk contaminants. Herein, we report a composite polymer material capable of rendering bulk VX unusable by immobilization within a porous polymer until a metal-organic framework (MOF) catalyst fully hydrolyzes the neurotoxin. This is an all-in-one capability that minimizes the use of multiple reagents, facilitated by a porous high internal phase emulsion-based polystyrene monolith housing an active zirconia MOF catalyst (MOF-808); the porous polymer absorbs and immobilizes the liquid agents, while the MOF enables hydrolysis. The dichotomous hierarchy of porous materials facilitates the containment and rapid hydrolysis of VX (>80% degradation in 8 h) in the presence of excess H<sub>2</sub>O. This composite can further enable the hydrolysis of neat VX with reliance on ambient humidity (>95% in 11 days). Potentially, 4.5 kg of the composite can absorb, immobilize, and degrade the contents of a standard chemical drum/barrel (208 L, 55 gal) of the chemical warfare agent (CWA). We believe that this composite is the first example of what will be the go-to approach for CWA immobilization and degradation in the future. Furthermore, we believe that this demonstration of a catalytically reusable absorbent sponge provides a signpost for the development of similar materials where immobilization of a substrate in a catalytically active environment is desirable.