gebhart/patrepeval huggingface dataset:
In-situ spectroscopies of mixed-metal nanosheet water oxidation catalysts made by pulsed laser ablation in liquids (2016)

Our ability to utilize sustainable resources will be crit. in meeting the ever-increasing global energy demand in&#13;\nan eco-friendly manner. The most reliable and available source of sustainable energy is the sun. The biggest&#13;\nchallenges to its practical utilization are its intermittency on earth and unequal local energy needs. As a&#13;\nconsequence, we must find a way to convert solar energy into storable, transportable fuels. We envision a solar&#13;\nwater splitting device that produces hydrogen fuel. Subsequent functionalization with carbon dioxide will&#13;\nproduce liq. fuels that are carbon neutral upon combustion. Water oxidn., the more demanding half-reaction in&#13;\nthe water splitting process, is a key component to such a working device. Earth-abundant, efficient, and robust&#13;\nwater oxidn. catalysts need to be rationally designed based on their catalytic mechanisms. We have employed&#13;\nnovel in-situ spectroelectrochem. techniques to identify short-lived catalytic intermediates under turnover&#13;\nconditions. We recently reported [NiFe]-LDH (layered double hydroxide) nanocatalyst materials that are highly&#13;\nactive for water oxidn. [Hunter, Blakemore, Deimund, Gray, Winkler, M.ovrddot.uller, J. Soc.2014, 136, 13118]&#13;\n. Our in-situ IR, Raman, and UV-visible spectroscopic data in non-aq. solvents suggest that the LDH framework&#13;\nmay support high-valent metal species. Strategic injection of substrate indicates that this transient species is&#13;\nquenched by water. Our isotope labeling expts. have shed light on the structure of catalytic intermediates.
Immunologic mapping of glycomes: implications for cancer diagnosis and therapy (2011)

Cancer associated glycoconjugates are important biomarkers, as exemplified by globo-H, CA125, CA15.3 and CA27.29. However, the exact chemical structures of many such biomarkers remain unknown because of technological limitations. In this article, we propose the "immunologic mapping" of cancer glycomes based on specific immune recognition of glycan structures, which can be hypothesized theoretically, produced chemically, and examined biologically by immuno-assays. Immunologic mapping of glycans not only provides a unique perspective on cancer glycomes, but also may lead to the invention of powerful reagents for diagnosis and therapy.
Economic impact of a novel naloxone autoinjector on third-party payers. (2015)

A deterministic model demonstrated that NAI acquisition costs can be offset through medical cost reductions with improved timely access to naloxone.
SERS Study of the Mechanism of Plasmon-Driven Hot Electron Transfer between Gold Nanoparticles and PCBM (2019)

Plasmonic nanostructures have been widely used in photochemical reactions to enhance reaction rates, decrease energy barriers, or change reaction pathways, but the detailed mechanisms of these plasmon-driven processes are not well understood. In this work, continuous-wave (CW) pump–probe surface-enhanced Raman spectroscopy (SERS) was used to systematically investigate the plasmon-driven hot electron transfer mechanism between gold nanoparticles and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). The Raman peak shift of the PCBM pentagonal pinch mode was used as an indicator of the electron transfer process, which is verified using electrochemical SERS (EC-SERS) and density functional theory (DFT) calculations. Using wavelength-scanned pump–probe SERS and DFT calculations, we found that hot electrons generated from both intraband and interband transitions can transfer from Au nanoparticles to PCBM through an indirect electron transfer mechanism. Photothermal effects do not play a significant role in the process, as demonstrated by an effective vibrational temperature calculated using the anti-Stokes/Stokes Raman intensity ratio. These experiments in combination with DFT calculations not only clarify the detailed reaction mechanism, but also provide more insight into rules for designing rational reaction pathways for plasmon-driven chemistry.
In Silico Characterization of African Swine Fever Virus Nucleoprotein p10 Interaction with DNA (2022)

African swine fever virus (ASFV) is the etiological agent of a highly contagious, hemorrhagic infectious swine disease, with a tremendous sanitary and economic impact on a global scale. Currently, there are no globally available vaccines or treatments. The p10 protein, a structural nucleoprotein encoded by ASFV, has been previously described as capable of binding double-stranded DNA (dsDNA), which may have implications for viral replication. However, the molecular mechanism that governs this interaction is still unknown, mostly due to the lack of a structural model for this protein. In this work, we have generated an ab initio model of the p10 protein and performed extensive structural characterization, using molecular dynamics simulations to identify the motifs and residues regulating DNA recognition. The helix-turn-helix motif identified at the C-terminal region of the protein was shown to be crucial to the dsDNA-binding efficiency. As with other DNA-binding proteins, two distinct serine and lysine-rich regions found in the two helices were identified as key players in the binding to DNA, whose importance was later validated using experimental binding assays. Altogether, these findings may contribute to a better understanding of the p10 function in ASFV replication.
Importance of Electric-Field-Independent Mobilities in Thick-Film Organic Solar Cells (2022)

In organic solar cells (OSCs), a thick active layer usually yields a higher photocurrent with broader optical absorption than a thin active layer. In fact, a ∼300 nm thick active layer is more compatible with large-area processing methods and theoretically should be a better spot for efficiency optimization. However, the bottleneck of developing high-efficiency thick-film OSCs is the loss in fill factor (FF). The origin of the FF loss is not clearly understood, and there a direct method to identify photoactive materials for high-efficiency thick-film OSCs is lacking. Here, we demonstrate that the mobility field-dependent coefficient is an important parameter directly determining the FF loss in thick-film OSCs. Simulation results based on the drift-diffusion model reveal that a mobility field-dependent coefficient smaller than 10<sup>-3</sup> (V/cm)<sup>-1/2</sup> is required to maintain a good FF in thick-film devices. To confirm our simulation results, we studied the performance of two ternary bulk heterojunction (BHJ) blends, PTQ10:N3:PC<sub>71</sub>BM and PM6:N3:PC<sub>71</sub>BM. We found that the PTQ10 blend film has weaker field-dependent mobilities, giving rise to a more balanced electron-hole transport at low fields. While both the PM6 blend and PTQ10 blend yield good performance in thin-film devices (∼100 nm), only the PTQ10 blend can retain a FF = 74% with an active layer thickness of up to 300 nm. Combining the benefits of a higher <i>J</i><sub>SC</sub> in thick-film devices, we achieved a PCE of 16.8% in a 300 nm thick PTQ10:N3:PC<sub>71</sub>BM OSC. Such a high FF in the thick-film PTQ10 blend is also consistent with the observation of lower charge recombination from light-intensity-dependent measurements and lower energetic disorder observed in photothermal deflection spectroscopy.
Aerosol-Assisted Synthesis of Thiol-Functionalized Mesoporous Silica Spheres with Fe3O4 Nanoparticles (2010)

Thiol-functionalized mesoporous silica spheres having Fe3O4 nanoparticles are fabricated in one-pot by aerosol-assisted synthesis. A TEM image shows that Fe3O4 nanoparticles are successfully embedded within the mesoporous silica spheres. SEM images and SAXS profiles reveals that the encapsulating Fe3O4 nanoparticles do not affect the ordering of a mesoporous structure. The spherical morphologies are also well retained. The presence of cage-type mesopores with uniform size is confirmed by N2 adsorption-desorption isotherms and TEM observations. The spray-dried thiol-functionalized particles with Fe3O4 nanoparticles effectively adsorb mercury (II) ions due to their strong interaction to thiol groups embedded in the framework. The particles with the amount of Fe3O4 nanoparticles (3.5 wt%) show a saturated magnetization (over 1.0 emu/g). This magnetic property is useful for practical collection with magnet.
Supplementary Figure S5 from CYP27A1 Loss Dysregulates Cholesterol Homeostasis in Prostate Cancer (2023)

&lt;p&gt;CYP27A1/27HC axis inhibits growth of PC cells via depletion of cellular cholesterol&lt;/p&gt;
A physiologic role for testosterone in limiting estrogenic stimulation of the breast (2003)

These findings suggest that treatment with a balanced formulation including all ovarian hormones may prevent or reduce estrogenic cancer risk in the treatment of girls and women with ovarian failure.
Influence of Sildenafil on Micturition and Urethral Tone in Ovariectomized and Non-ovariectomized Mice (2011)

Irrespective of the hormonal status, sildenafil decreased leak point pressure by a nNOS-mediated mechanism.
Engineered 3D Microvascular Networks for the Study of Ultrasound-Microbubble-Mediated Drug Delivery (2018)

Localized and targeted drug delivery can be achieved by the combined action of ultrasound and microbubbles on the tumor microenvironment, likely through sonoporation and other therapeutic mechanisms that are not well understood. Here, we present a perfusable in vitro model with a realistic 3D geometry to study the interactions between microbubbles and the vascular endothelium in the presence of ultrasound. Specifically, a three-dimensional, endothelial-cell-seeded in vitro microvascular model was perfused with cell culture medium and microbubbles while being sonicated by a single-element 1 MHz focused transducer. This setup mimics the in vivo scenario in which ultrasound induces a therapeutic effect in the tumor vasculature in the presence of flow. Fluorescence and bright-field microscopy were employed to assess the microbubble-vessel interactions and the extent of drug delivery and cell death both in real time during treatment as well as after treatment. Propidium iodide was used as the model drug while calcein AM was used to evaluate cell viability. There were two acoustic parameter sets chosen for this work: (1) acoustic pressure: 1.4 MPa, pulse length: 500 cycles, duty cycle: 5% and (2) acoustic pressure: 0.4 MPa, pulse length: 1000 cycles, duty cycle: 20%. Enhanced drug delivery and cell death were observed in both cases while the higher pressure setting had a more pronounced effect. By introducing physiological flow to the in vitro microvascular model and examining the PECAM-1 expression of the endothelial cells within it, we demonstrated that our model is a good mimic of the in vivo vasculature and is therefore a viable platform to provide mechanistic insights into ultrasound-mediated drug delivery.
Atomic layer deposition of CaB2O4 films using bis(tris(pyrazolyl)borate)calcium as a highly thermally stable boron and calcium source (2010)

The atomic layer deposition of CaB2O4 was carried out using bis(tris(pyrazolyl)borate)calcium (CaTp2) and water as precursors. CaTp2 melts at 280 °C, undergoes solid state thermal decomposition at 385 °C, and sublimed on a preparative scale at 180 °C/0.05 Torr in about 3 hours with 99.7% recovery and 0.2% non-volatile residue. Self-limited ALD growth was established at 350 °C with CaTp2 and water pulse lengths of ≥2.0 and ≥0.3 s, respectively. An ALD window was observed from 300 to 375 °C, in which the growth rate was between 0.34 and 0.36 Å per cycle. The thin film compositions were assessed by elastic recoil detection analysis (ERDA) and X-ray photoelectron spectroscopy (XPS). The B/Ca ratios for CaB2O4 films deposited at 275, 325, 350, and 400 °C were 1.84(11), 1.85(11), 1.89(13), and 1.42(10), respectively, as determined by ERDA. Within the ALD window, hydrogen concentrations ranged from 0.22(2) to 0.35(4) atom% and the carbon and nitrogen concentrations were below the detection limits. XPS analyses on representative CaB2O4 thin films showed all expected ionizations. X-Ray diffraction experiments revealed that the as-deposited films were amorphous. The surface morphology was assessed by atomic force microscopy and scanning electron microscopy. The rms surface roughness of a typical 2 µm × 2 µm area for films deposited at 325 and 350 °C was 0.3 nm. Scanning electron micrographs of these films showed no cracks or pinholes.
Ca2+ Translocation across Sarcoplasmic Reticulum ATPase Randomizes the Two Transported Ions (1996)

Cytoplasmic Ca2+ dissociation is sequential, and the Ca2+ ions bound to the nonphosphorylated ATPase are commonly represented as superimposed on each other, so that the superficial Ca2+ is freely exchangeable from the cytoplasm, whereas the deeper Ca2+ is not. Under conditions where ADP-sensitive phosphoenzyme accumulates (leaky vesicles, 5 degrees C, pH 8, 300 mM K+), luminal Ca2+ dissociation is sequential as well, so that the representation of two superimposed Ca2+ ions still holds on the phosphoenzyme, with the superficial Ca2+ facing the lumen freely exchangeable and the deeper Ca2+ blocked by the superficial Ca2+. Under the same conditions, we have investigated whether a prebuilt Ca2+ order is maintained during membrane translocation. Starting from a prebuilt order on the cytoplasmic side, we showed that the Ca2+ ions cannot be identified after translocation to the luminal side. The same result was obtained starting from a prebuilt order on the luminal side and following the luminal to cytoplasmic translocation. We conclude that the two Ca2+ ions are mixed during ATP-induced phosphorylation as well as during ADP-induced dephosphorylation.
Duodenal‐jejunal bypass surgery induces hepatic lipidomic alterations associated with ameliorated hepatic steatosis in mice (2016)

From in-depth analysis of hepatic lipid composition, specific lipid intermediates were identified that are preferentially changed following DJB surgery. These changes were most likely due to DJB-induced weight loss, and only further studies will be able to distinguish weight loss-dependent from weight loss-independent changes.
Chiral Lithiothiophenes as Non‐Transferable Ligands in Organocuprate Conjugate Addition Reactions. (2004)

Abstract For Abstract see ChemInform Abstract in Full Text.
S-band Amplifier Using Highly Nonlinear Fibers (2022)

This paper introduces an S-band amplification method with high power efficiency utilizing highly nonlinear fibers. To improve its performance, techniques to increase nonlinearity and SBS threshold of the highly nonlinear fibers are also discussed.
Inhibitor Haemophilia A - Cases with Reduced Haemostatic Response to Wildtype rFVIIa Who Achieved a Normal Clotting Profile with a Novel Potent Analogue of rFVIIa. (2005)

Abstract Development of inhibitory antibodies to coagulation factor VIII represents a serious complication in patients with congenital or acquired haemophilia A. Recombinant factor VIIa (rFVIIa, NovoSeven®, Novo Nordisk, Bagsvaerd, Denmark) has proven efficacious in management of bleeding episodes in patients with inhibitors. Recently, a novel analogue of rFVIIa (NN1731, Novo Nordisk) has been developed. NN1731 has increased potency to generate factor Xa on the surface of activated platelets. We have developed a thrombelastographic (TEG) whole blood (WB) coagulation model, employing activation with minimal amounts of tissue factor. This global clotting assay reflects the clinical severity of haemophilia A and can be used to ex vivo assess the haemostatic capacity of rFVIIa and NN1731. Adopting the TEG model, we report on two cases where ex vivo addition of rFVIIa only induced minor improvements of the WB coagulation profile. However, ex vivo addition of NN1731 revealed a normalization of the WB coagulation signature. The first case was a 74 years old female with acquired haemophilia A (APTT=51 sec, FVIII:C = 0.08 IU/mL, Inhibitor = 3.6 BU/mL. The second case was a patient with congenital haemophilia A and inhibitors (APTT=101 sec, FVIII:C&amp;lt;0.01 IU/mL, Inhibitor=9 BU/mL). In both cases, the WB thrombelastographic analysis demonstrated a severely compromised haemostatic capacity. Ex vivo dose titration studies with rFVIIa induced minor improvements only of the suppressed WB clot formation profile. However, ex vivo addition of NN1731 at 2 μg/mL normalized the coagulation signature. The observations that the analogue NN1731 normalized the haemostatic WB clotting profiles in cases where rFVIIa induced minor changes stimulates further pre-clinical investigations.
Allergen immunotherapy for allergic asthma: A systematic review and meta‐analysis (2017)

AIT can achieve substantial reductions in short-term symptom and medication scores in allergic asthma. It was however associated with a modest increased risk of systemic and local AEs. More data are needed in relation to secondary outcomes, longer-term effectiveness and cost-effectiveness.
Recurrent BRAF mutations in Langerhans cell histiocytosis (2010)

Langerhans cell histiocytosis (LCH) has a broad spectrum of clinical behaviors; some cases are self-limited, whereas others involve multiple organs and cause significant mortality. Although Langerhans cells in LCH are clonal, their benign morphology and their lack (to date) of reported recurrent genomic abnormalities have suggested that LCH may not be a neoplasm. Here, using 2 orthogonal technologies for detecting cancer-associated mutations in formalin-fixed, paraffin-embedded material, we identified the oncogenic BRAF V600E mutation in 35 of 61 archived specimens (57%). TP53 and MET mutations were also observed in one sample each. BRAF V600E tended to appear in younger patients but was not associated with disease site or stage. Langerhans cells stained for phospho-mitogen-activated protein kinase kinase (phospho-MEK) and phospho-extracellular signal-regulated kinase (phospho-ERK) regardless of mutation status. High prevalence, recurrent BRAF mutations in LCH indicate that it is a neoplastic disease that may respond to RAF pathway inhibitors.
Purification and characterization of a human T-lymphocyte-derived glial growth-promoting factor. (1985)

Antigen- or lectin-stimulated T lymphocytes and human T-cell leukemia virus (HTLV)-infected cell lines secrete lymphokines that can influence the growth and function of a variety of cell types. We recently demonstrated that supernatants from the HTLV-II-infected Mo-T-cell line stimulate the proliferation of rat brain oligodendrocytes and astrocytes. We have now purified a glial growth-promoting factor (GGPF) from these supernatants. Purification from serum-free conditioned medium was accomplished by sequential concentration, ammonium sulfate precipitation, lentillectin affinity chromatography, gel filtration, and reversed-phase high-performance liquid chromatography. GGPF is assayed by its ability to stimulate DNA synthesis in oligodendrocytes, as measured by [3H]thymidine uptake. The purified GGPF has an apparent Mr of 30,000 when analyzed by sodium dodecyl sulfate/polyacrylamide gel electrophoresis under nonreducing conditions. Under reducing conditions, however, GGPF appears as a single band of Mr 18,000. Both reduced and unreduced forms have biological activity, suggesting that GGPF exists in both a functional monomeric and dimeric form. Purified GGPF appears to be a biochemically and functionally distinct lymphokine.
Author Correction: Increased diversity with reduced “diversity evenness” of tumor infiltrating T-cells for the successful cancer immunotherapy (2023)

This Article contains an error in the Results section, under subheading 'Successful immunomodulatory therapies induce the enrichment of selected T-cell clones in the tumor' , "Diversity Evenness 50 (DE 50 ) was calculated as the ratio of how many clonotypes amongst the most frequent were necessary to account for 50% of the total read counts divided by the total number of read counts present." should read: "Diversity Evenness 50 (DE 50 ) was calculated as the ratio of how many clonotypes amongst the most frequent were necessary to account for 50% of the total read counts divided by the total number of clonotypes present."
Codebook Based Two-Time Scale Resource Allocation Design for IRS-Assisted eMBB-URLLC Systems (2022)

This paper investigates the resource allocation algorithm design for wireless systems assisted by large intelligent reflecting surfaces (IRSs) with coexisting enhanced mobile broadband (eMBB) and ultra reliable low-latency communication (URLLC) users. We consider a two-time scale resource allocation scheme, whereby the base station’s precoders are optimized in each mini-slot to adapt to newly arriving URLLC traffic, whereas the IRS phase shifts are reconfigured only in each time slot to avoid excessive base station-IRS signaling. To facilitate efficient resource allocation design for large IRSs, we employ a codebook-based optimization framework, where the IRS is divided into several tiles and the phase-shift elements of each tile are selected from a pre-defined codebook. The resource allocation algorithm design is formulated as an optimization problem for the maximization of the average sum data rate of the eMBB users over a time slot while guaranteeing the quality-of-service (QoS) of each URLLC user in each mini-slot. An iterative algorithm based on alternating optimization (AO) is proposed to find a high-quality suboptimal solution. As a case study, the proposed algorithm is applied in an industrial indoor environment modelled via the Quadriga channel simulator. Our simulation results show that the proposed algorithm design enables the coexistence of eMBB and URLLC users and yields large performance gains compared to three baseline schemes. Furthermore, our simulation results reveal that the proposed two-time scale resource allocation design incurs only a small performance loss compared to the case when the IRSs are optimized in each mini-slot.
ChemInform Abstract: Cyclic Metal(IV) Amides. (1991)

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.
Peptidomimetic HIV protease inhibitors: phosphate prodrugs with improved biological activities (1993)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPeptidomimetic HIV protease inhibitors: phosphate prodrugs with improved biological activitiesKong Teck Chong, Mary J. Ruwart, Roger R. Hinshaw, Karen F. Wilkinson, Bob D. Rush, Mark F. Yancey, Joseph W. Strohbach, and Suvit ThaisrivongsCite this: J. Med. Chem. 1993, 36, 17, 2575–2577Publication Date (Print):August 1, 1993Publication History Published online1 May 2002Published inissue 1 August 1993https://pubs.acs.org/doi/10.1021/jm00069a018https://doi.org/10.1021/jm00069a018research-articleACS PublicationsRequest reuse permissionsArticle Views285Altmetric-Citations29LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts