gebhart/patrepeval huggingface dataset:
In Situ FTIR Spectroscopic Studies of Adsorption of CO, SCN-, and Poly(o-phenylenediamine) on Electrodes of Nanometer Thin Films of Pt, Pd, and Rh:  Abnormal Infrared Effects (AIREs) (1999)

Pt, Pd, and Rh films of a few nanometers in thickness supported on glassy carbon (GC) and other substrates were prepared by electrochemical voltammetry. STM patterns illustrated that the prepared thin films are composed of crystallites of layer structure and exhibit a low surface roughness. Studies of in situ FTIR spectroscopy on chemisorption of CO and SCN- and formation of a polymer of o-phenylenediamine (POPD) on electrodes of nanometer thin films have been conducted to explore the abnormal infrared effects (AIREs), which consist of two main characteristics: (1) inversion of IR bands; (2) the enhancement of IR absorption of adsorbates. The results demonstrated that the AIREs depend mainly on the structure and the chemical nature of nanometer thin films. In all cases of chemisorption on thin films of platinum-group metals supported on GC or supported on polymer-covered GC, the direction of IR bands of adsorbates is inverted in comparison with the direction of IR bands of the same adsorbates on corresponding massive metal electrodes. The IR absorption of adsorbed CO species (COad) on nanometer thin films of Rh, Pt, and Pd supported on GC has been enhanced respectively by a factor of 11, 20, and 26. The fact that the IR absorption of adsorbed CO and SCN- has been enhanced but the IR absorption of POPD has not suggested that the IR absorption enhancement in AIREs is related to an effect of short-range domain of surface. The results in the present paper demonstrated also that the AIREs belong to a new phenomenon of IR reflection spectroscopy and relate to effects of material at the nanometer scale. The present study manifests remarkable advantages of AIREs for studying surface processes and may contribute considerably to fundamental studies of electrocatalysis and reflection spectroscopy.
Effect of electron correlations on spin polarized transport in Fe/MgO tunnel junctions (2010)

We developed a parametrization of transmission probability that reliably captures essential elements of the tunneling process in magnetic tunnel junctions. The electronic structure of Fe/MgO system is calculated within the quasiparticle self-consistent GW approximation and used to evaluate transmission probability across (001) Fe/MgO interface. The transmission has a peak at +0.12 V, in excellent agreement with recent differential conductance measurements for electrodes with antiparallel spin. These findings confirm that the observed current-voltage characteristics are intrinsic to well defined (001) Fe/MgO interfaces, in contrast to previous predictions based on the local spin-density approximation, and also that many-body effects are important to realistically describe electron transport across well defined metal-insulator interfaces.
Blocking Mouse MMP-9 Production in Tumor Cells and Mouse Cornea by Short Hairpin (sh) RNA Encoding Plasmids (2005)

In this study, we assessed the efficacy of the specific knockdown of matrix metalloprotein-9 (MMP-9) in vitro and in vivo using short hairpin RNA (shRNA) against MMP-9. Two plasmids were generated encoding shRNA (pshRNA) targeted against two distinct MMP-9 gene sequences. Transfection of these pshMMP-9s could be shown to specifically inhibit MMP-9 expression both in vivo and in vitro. The effect occurred in vitro both in cells that endogenously produce MMP-9 and in cells exogenously transfected with an MMP-9-encoding plasmid. Using an in vivo transfection approach, the pshMMP- 9 was also effective at inhibiting MMP-9 protein expression in the mouse cornea. pshMMP-9s were also tested against herpes simplex virus (HSV) in the cornea. Delivery of the pshMMP-9 stopped angiogenesis and decreased the severity of herpetic keratitis. However, interferon-alpha (IFN-alpha) and IFN- beta induced by pshRNA might also contribute to inhibition of herpetic simplex keratitis (HSK) in the cornea.
Boron Goes on the Attack (2007)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Data from Targeting the MYCN–PARP–DNA Damage Response Pathway in Neuroendocrine Prostate Cancer (2023)

&lt;div&gt;Abstract&lt;p&gt;&lt;b&gt;Purpose:&lt;/b&gt; We investigated MYCN-regulated molecular pathways in castration-resistant prostate cancer (CRPC) classified by morphologic criteria as adenocarcinoma or neuroendocrine to extend the molecular phenotype, establish driver pathways, and identify novel approaches to combination therapy for neuroendocrine prostate cancer (NEPC).&lt;/p&gt;&lt;p&gt;&lt;b&gt;Experimental Design and Results:&lt;/b&gt; Using comparative bioinformatics analyses of CRPC-Adeno and CRPC-Neuro RNA sequence data from public data sets and a panel of 28 PDX models, we identified a MYCN–PARP–DNA damage response (DDR) pathway that is enriched in CRPC with neuroendocrine differentiation (NED) and CRPC-Neuro. ChIP-PCR assay revealed that N-MYC transcriptionally activates PARP1, PARP2, BRCA1, RMI2, and TOPBP1 through binding to the promoters of these genes. MYCN or PARP1 gene knockdown significantly reduced the expression of MYCN–PARP–DDR pathway genes and NED markers, and inhibition with MYCNsi and/or PARPsi, BRCA1si, or RMI2si significantly suppressed malignant activities, including cell viability, colony formation, and cell migration, in C4-2b4 and NCI-H660 cells. Targeting this pathway with AURKA inhibitor PHA739358 and PARP inhibitor olaparib generated therapeutic effects similar to those of gene knockdown &lt;i&gt;in vitro&lt;/i&gt; and significantly suppressed tumor growth in both C4-2b4 and MDACC PDX144-13C subcutaneous models &lt;i&gt;in vivo&lt;/i&gt;.&lt;/p&gt;&lt;p&gt;&lt;b&gt;Conclusions:&lt;/b&gt; Our results identify a novel MYCN–PARP–DDR pathway that is driven by N-MYC in a subset of CRPC-Adeno and in NEPC. Targeting this pathway using &lt;i&gt;in vitro&lt;/i&gt; and &lt;i&gt;in vivo&lt;/i&gt; CRPC-Adeno and CRPC-Neuro models demonstrated a novel therapeutic strategy for NEPC. Further investigation of N-MYC–regulated DDR gene targets and the biological and clinical significance of MYCN–PARP–DDR signaling will more fully elucidate the importance of the MYCN–PARP–DDR signaling pathway in the development and maintenance of NEPC. &lt;i&gt;Clin Cancer Res; 24(3); 696–707. ©2017 AACR&lt;/i&gt;.&lt;/p&gt;&lt;/div&gt;
A Clinical‐Scale Microfluidic Respiratory Assist Device with 3D Branching Vascular Networks (2023)

Recent global events such as COVID-19 pandemic amid rising rates of chronic lung diseases highlight the need for safer, simpler, and more available treatments for respiratory failure, with increasing interest in extracorporeal membrane oxygenation (ECMO). A key factor limiting use of this technology is the complexity of the blood circuit, resulting in clotting and bleeding and necessitating treatment in specialized care centers. Microfluidic oxygenators represent a promising potential solution, but have not reached the scale or performance required for comparison with conventional hollow fiber membrane oxygenators (HFMOs). Here the development and demonstration of the first microfluidic respiratory assist device at a clinical scale is reported, demonstrating efficient oxygen transfer at blood flow rates of 750 mL min⁻<sup>1</sup> , the highest ever reported for a microfluidic device. The central innovation of this technology is a fully 3D branching network of blood channels mimicking key features of the physiological microcirculation by avoiding anomalous blood flows that lead to thrombus formation and blood damage in conventional oxygenators. Low, stable blood pressure drop, low hemolysis, and consistent oxygen transfer, in 24-hour pilot large animal experiments are demonstrated - a key step toward translation of this technology to the clinic for treatment of a range of lung diseases.
Solar UV Geometric Conversion Factors: Horizontal Plane to Cylinder Model† (2010)

Most solar UV measurements are relative to the horizontal plane. However, problems arise when one uses those UV measurements to perform risk or benefit assessments because they do not yield the actual doses people get while they are outdoors. To better estimate the UV doses people actually get while outdoors, scientists need geometric conversion factors (GCF) that change horizontal plane irradiances to average irradiances on the human body. Here we describe a simple geometric method that changes unweighted, erythemally weighted and previtamin D(3)-weighted UV irradiances on the horizontal plane to full cylinder and semicylinder irradiances. Scientists can use the full cylinder model to represent the complete human body, while they can use the semicylinder model to represent the face, shoulders, tops of hands and feet. We present daily, monthly and seasonally calculated averages of the GCF for these cylinder models every 5 degrees from 20 to 70 degrees N so that scientists can now get realistic UV doses for people who are outdoors doing a variety of different activities. The GCF show that people actually get less than half their annual erythemally weighted, and consequently half their previtamin D(3)-weighted, UV doses relative to the horizontal plane. Thus, scientists can now perform realistic UV risk and benefit assessments.
Lagrangian analysis of intermittent sound sources in the flow-field of a bluff-body stabilized combustor (2019)

Experiments were performed in a partially premixed bluff-body stabilized combustor in the regimes of combustion noise, intermittency, and thermoacoustic instability. Simultaneous measurements of unsteady pressure fluctuations and flow-field using time-resolved two-component particle image velocimetry reveal dominant dynamics at 141.9 Hz which is responsible for thermoacoustic instability. In the intermittent regime that presages thermoacoustic instability, there are two distinct frequencies: a low-frequency component at 30.7 Hz dominant in the velocity spectra (hydrodynamic mode) and a higher frequency component at 176.4 Hz dominant in the pressure spectra (acoustic mode). Examining the phase relationship between the two modes in the intermittent regime using a variant of the Dynamic Mode Decomposition (DMD) confirms that the appearance of bursts of periodic pressure oscillations coincide with the time instants when the hydrodynamic and the acoustic modes are phase synchronized. To identify the flow structure dynamics observed only during sound production, we compute ridges in the fields of backward-time finite time Lyapunov exponents. The roll up of shear layers from the dump plane and the leading edge of the bluff body and subsequent impingement on combustor walls are identified as the dominant features of the flow during thermoacoustic instability as well as during the bursting stage of intermittency. We show convincingly that these identified dynamics correspond to the acoustic mode using DMD filtered flow fields comprising only of the acoustic mode.
One-step purification and characterization of alginate lyase from a clinical Pseudomonas aeruginosa with destructive activity on bacterial biofilm. (2017)

In this study an alginate lyase with many characteristics suitable in medicine such as thermal stability, effective on poly M alginate, and bacterial biofilm destructive was introduced and purified.
Exercise is positively related to adolescents' relationships and academics. (2001)

Eighty-nine high school seniors were administered a questionnaire that gathered information on their exercise habits (ranging from rarely to daily), relationships with parents and peers, depressive tendencies, sports involvement, drug use, and academic performance. Students with a high level of exercise had better relationships with their parents (including greater intimacy and more frequent touching), were less depressed, spent more time involved in sports, used drugs less frequently, and had higher grade point averages than did students with a low level of exercise.
In situ Nanobeam Electron Diffraction of Bulk Metallic Glasses (2018)

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Surface impedance boundary conditions near corners and edges: rigorous consideration (2001)

The two-dimensional problem of the magnetic field distribution inside and outside an imperfectly conducting, 90-degree edge is solved using the perturbation technique. The well-known solution of the problem for a perfectly conducting edge is used as an initial approximation. The surface impedance near the edge is represented in the form of asymptotic expansions in the small parameter proportional to the ratio of the skin depth and characteristic size of the conductor surface. An analytical solution for the electric field in the conductor near the edge is obtained. The solution behavior is investigated and the approximate boundary conditions relating the tangential components of the electric and magnetic fields on the conductor surface near the edge are proposed in a form suitable for numerical implementation.
Identification of Maltase Glucoamylase as a Biomarker of Acute Kidney Injury in Patients with Cirrhosis (2019)

Patients with cirrhosis and AKI have upregulation of renal brush border disaccharidase, MGAM, in urinary exosomes which may differentiate the type of kidney injury in cirrhosis; however, the clinical significance of this requires further validation.
Figure S4 from Characterizing Macrophage Diversity in Metastasis-Bearing Lungs Reveals a Lipid-Associated Macrophage Subset (2023)

&lt;p&gt;Figure S4 shows metastasis data following clodronate administration and characterization of lipid-loaded BMDMs.&lt;/p&gt;
Molecular signalling mechanisms controlling growth and function of cardiac fibroblasts (1995)

Cardiac fibroblasts appear to be important in producing and maintaining the extracellular matrix (ECM) of the heart. The abnormal proliferation of cardiac fibroblasts and deposition of the ECM protein, collagen, associated with hypertension and myocardial infarction, may adversely affect the performance of the heart. Several groups of factors affect collagen gene expression and/or growth of cardiac fibroblasts. Angiotensin II, aldosterone and endothelins play a central role in the remodeling of the ECM in hypertension, and decrease collagenase activity and/or increase collagen synthesis in cultured cells. Regulatory peptides that are generally elevated at sites of injury, such as TGF-beta 1 and PDGF, increase collagen synthesis and/or stimulate mitogenesis. Mechanical stretch enhances collagen expression and cell proliferation, responses which could in part be due to integrin activation. Cytokines may stimulate or inhibit cell growth, the latter through prostaglandin formation. Angiotensin II is a principal determinant in vivo of cardiac fibroplasia and synthesis of the ECM proteins, collagen and fibronectin. Cardiac fibroblasts possess G-protein-coupled AT1 receptors for angiotensin II that couple to activation of multiple signalling pathways, including: phospholipase C-beta, with the subsequent release of Ca2+ from intracellular stores and activation of protein kinase C, mitogen-activated protein kinases, tyrosine kinases, phospholipase D, phosphatidic acid formation, and the STAT family of transcription factors. Cardiac fibroblasts respond to angiotensin II with hyperplastic/hypertrophic growth, and increased expression of collagen, fibronectin, and integrins. The mechanisms by which the AT1 receptor activates multiple signalling pathways are not known, although the receptor might interact at some level with both integrins and cytokine receptors. Different signalling pathways of the AT1 receptor may subserve different cellular responses, such as mitogenesis, ECM synthesis, or an inflammatory/stress response. Crosstalk among the signalling pathways of the AT1 receptor, and those of G-protein, cytokine, and growth-factor receptors, may determine the ultimate response of the cell.
Towards a quantification of disorder in materials: Distinguishing equilibrium and glassy sphere packings (2000)

This paper examines the prospects for quantifying disorder in simple molecular or colloidal systems. As a central element in this task, scalar measures for describing both translational and bond-orientational order are introduced. These measures are subsequently used to characterize the structures that result from a series of molecular-dynamics simulations of the hard-sphere system. The simulation results can be illustrated by a two-parameter ordering phase diagram, which indicates the relative placement of the equilibrium phases in order-parameter space. Moreover, the diagram serves as a useful tool for understanding the effect of history on disorder in nonequilibrium structures. Our investigation provides fresh insights into the types of ordering that can occur in equilibrium and glassy systems, including quantitative evidence that, at least in the case of hard spheres, contradicts the notion that glasses are simply solids with the "frozen in" structure of an equilibrium liquid. Furthermore, examination of the order exhibited by the glassy structures suggests, to our knowledge, a new perspective on the old problem of random close packing.
Anionic Polymerizations and Copolymerizations of Methacrylates-Reactivity of Monomer and Tacticity of Polymer (1975)

Abstract The anionic polymerizations and copolymerizations of methacrylates were investigated. The studies were focused on the stereoregularity of the polymers and the relative reactivity of the monomers in relation to the stereospecificity of polymerization.
Ultra-Low Amounts of Palladium (0.005-0.05 Wt% Pd) Supported on Titania: Remarkable Low-Temperature Activity for NO Reduction with CO and Structure-Function Property Relationships in Methane Oxidation (2020)

&lt;p&gt;Atomically dispersed Pd +2 cations with ultra-dilute loading of palladium (0.005-0.05 wt%) were anchored on anatase titania and characterized with FTIR, microscopy and catalytic tests. CO infrared adsorption produces a sharp, narrow mono-carbonyl Pd(II)-CO band at ~2,130 cm&lt;sup&gt;-1&lt;/sup&gt; indicating formation of highly uniform and stable Pd+2 ions on anatase titania. The 0.05 wt% Pd/TiO&lt;sub&gt;2&lt;/sub&gt; sample was evaluated for methane combustion under dry and wet (industrially relevant) conditions in the presence and absence of carbon monoxide. Notably, we find the isolated palladium atoms respond dynamically upon oxygen concentration modulation (switching-on and switching off). When oxygen is removed from the wet methane stream, palladium ions are reduced to metallic state by methane and catalyze methane steam reforming instead of complete methane oxidation. Re-admission of oxygen restores Pd&lt;sup&gt;+2&lt;/sup&gt; cations and switches off methane steam reforming activity. Moreover, 0.05 wt% Pd/TiO&lt;sub&gt;2&lt;/sub&gt; is a competent CO oxidation catalyst in the presence of water steam with 90% CO conversion and TOF ~ 4,000 hr&lt;sup&gt;-1&lt;/sup&gt; at 260 ⁰C. &lt;/p&gt;&lt;p&gt;More importantly, we find that diluting 0.05 wt% Pd/titania sample with titania to ultra-low 0.005 wt% palladium loading produces a remarkably active material for nitric oxide reduction with carbon monoxide under industrially relevant conditions with &gt;90% conversion of nitric oxide at 180 ⁰C (~460 ppm NO and 150 L/g*hr flow rate in the presence of &gt;2% water steam) and TOF ~6,000 hr&lt;sup&gt;-1&lt;/sup&gt;. Pd thus outperforms state-of-the-art rhodium containing catalysts with (15-20 times higher rhodium loading; rhodium is ~ 3 times more expensive than palladium). Furthermore, palladium catalysts are more selective towards nitrogen and produce significantly less ammonia relative to the more traditional rhodium catalysts due to lower Pd amount nd lower water-gas-shift activity. Our study is the first example of utilizing ultra-low (0.05 wt% and less) noble metal (Pd) amounts to produce heterogeneous catalysts with extraordinary activity for nitric oxide reduction. This opens up a pathway to study other Pd, Pt and Rh containing materials with ultra-low loadings of expensive noble metals dispersed on titania or titania-coated oxides for industrially relevant nitric oxide abatement.&lt;/p&gt;
Nine-Step Enantioselective Total Synthesis of (+)-Minfiensine (2009)

An enantioselective total synthesis of the Strychnos alkaloid (+)-minfiensine has been accomplished. Prominent features of this synthesis include (i) a new enantioselective organocatalytic Diels-Alder/amine cyclization sequence to build the central tetracyclic pyrroloindoline framework in four steps from commercial materials and (ii) a 6-exo-dig radical cyclization to forge the final piperidinyl ring system. This total synthesis of (+)-minfiensine was completed in nine chemical steps and 21% overall yield.
Degradation Of C3 By Streptococcus Pneumoniae (1994)

After growth to exponential phase in Todd-Hewitt broth, clinical and laboratory isolates of Streptococcus pneumoniae serotypes 3, 4, and 14 readily degraded first the beta and then the alpha chains of purified human C3 in the absence of serum or other complement proteins, as assessed by SDS-PAGE. With exponentially growing pneumococci, degradation of native C3 was detectable within 30 min; methylamine-treated C3 and preformed C3b were degraded with equal avidity. Pneumococcal C3-degrading activity was cell associated, abolished by heat killing, and independent of the presence of the polysaccharide capsule. After degradation, 44% of C3 molecules contained a disrupted thiolester bond. Pneumococci treated with 100 micrograms of mutanolysin released 94% of C3-degrading activity from the pneumococcal surface into the supernatant. These studies demonstrate that clinical and laboratory isolates of virulent pneumococci degrade and inactivate soluble C3.