gebhart/patrepeval huggingface dataset:
Noncovalent Se···O Conformational Locks for Constructing High‐Performing Optoelectronic Conjugated Polymers (2017)

Noncovalent conformational locks are broadly employed to construct highly planar π-conjugated semiconductors exhibiting substantial charge transport characteristics. However, current chalcogen-based conformational lock strategies for organic semiconductors are limited to S···X (X = O, N, halide) weak interactions. An easily accessible (minimal synthetic steps) and structurally planar selenophene-based building block, 1,2-diethoxy-1,2-bisselenylvinylene (DESVS), with novel Se···O noncovalent conformational locks is designed and synthesized. DESVS unique properties are supported by density functional theory computed electronic structures, single crystal structures, and experimental lattice cohesion metrics. Based on this building block, a new class of stable, structurally planar, and solution-processable conjugated polymers are synthesized and implemented in organic thin-film transistors (TFT) and organic photovoltaic (OPV) cells. DESVS-based polymers exhibit carrier mobilities in air as high as 1.49 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup> (p-type) and 0.65 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup> (n-type) in TFTs, and power conversion efficiency >5% in OPV cells.
Thin-film transistors based on p-type Cu2O thin films produced at room temperature (2010)

Copper oxide (Cu2O) thin films were used to produce bottom gate p-type transparent thin-film transistors (TFTs). Cu2O was deposited by reactive rf magnetron sputtering at room temperature and the films exhibit a polycrystalline structure with a strongest orientation along (111) plane. The TFTs exhibit improved electrical performance such as a field-effect mobility of 3.9 cm2/V s and an on/off ratio of 2×102.
PROBLEMS OF IMPLEMENTATION AND PRACTICAL USE OF CONTINUOUS MANAGEMENT AS A MAIN TOOL OF THE QUALITY MANAGEMENT IMPLEMENTATION IN EDUCATIONAL ORGANIZATIONS (2011)

Problems of implementation and further use of the quality management system and continuous management in educational organizations are explored in this paper.
&lt;title&gt;Nonlinear optical properties of multilayered structures and composites of C&lt;formula&gt;&lt;inf&gt;&lt;roman&gt;60&lt;/roman&gt;&lt;/inf&gt;&lt;/formula&gt; with electron donors&lt;/title&gt; (1996)

Second and third order nonlinear optical properties of C<SUB>60</SUB> based composites and multilayered structures with TPP and TPN are studied by transverse optical second and third harmonic generation, respectively. The results are compared with those obtained from pristine, photolyzed in vacuum and in oxygen atmosphere C<SUB>60</SUB> thin films. Second harmonic generation is observed from structures containing C<SUB>60</SUB> molecules. An enhancement of the quadratic susceptibility is observed from the multilayered structures. The third harmonic generation experiments show an enhancement of the cubic susceptibility from photolyzed C<SUB>60</SUB> thin films. No increase of (chi) <SUP>(3</SUP>) in the multilayered structures or composites is observed. A slightly larger response is obtained with the multilayered thin films as compared to the composite material.
Abstract 4473: PF-04691502, a potent and selective mTOR/PI3K dual inhibitor, demonstrates <i>in vitro</i> and <i>in vivo</i> antitumor activity in non-small cell lung carcinoma cells (2010)

Abstract The phosphatidylinositol 3-kinase (PI3K)/AKT/mammalian target of rapamycin (mTOR) pathway plays a critical role in the regulation of cell growth, proliferation and survival in cancer. In non-small cell lung carcinomas cells (NSCLCs), the PI3K/AKT/mTOR pathway is frequently activated through either the amplification/mutation of PIK3CA (which encodes the p110α subunit of PI3K), or the functional loss of phosphatase and tensin homolog deleted on chromosome 10 (PTEN). In addition, the PI3K/AKT/mTOR pathway plays a critical role downstream of epidermal growth factor receptor (EGFR) in a defined NSCLC population; in particular, those harboring the EGFR mutations. Dual inhibition of PI3K and mTOR therefore represents a high therapeutic value for NSCLC patients. PF-04691502 is a dual-specificity inhibitor of PI3K and mTOR which shows potent and selective activity in biochemical, cell, and animal studies. In this study, we show PF-04691502 inhibits phosphorylation of AKT (at both S473 and T308) and S6 ribosomal protein (S6RP) in a variety of NSCLC lines harboring a PIK3CA mutation or EGFR mutation, subsequently resulting in anti-proliferative activity in the NSCLC lines. Furthermore, we demonstrate that PF-04691502 is capable of inducing tumor growth inhibition in four NSCLC xenograft models including an Erlotinib resistant line, NCI-H1975. In these murine xenograft models, decreased phosphorylation of AKT, p70S6K, and S6RP was observed in treated tumors in a manner consistent with the drug levels achieved. Therefore, PF-04691502 exhibits potent inhibition in the PI3K/mTOR axis and leads to both in vitro and in vivo anti-tumor activity in NSCLCs. Moreover, our data suggests that PF-04691502 may have clinical benefit to NSCLC patients including those found to be resistant to Erlotinib treatment. Citation Format: {Authors}. {Abstract title} [abstract]. In: Proceedings of the 101st Annual Meeting of the American Association for Cancer Research; 2010 Apr 17-21; Washington, DC. Philadelphia (PA): AACR; Cancer Res 2010;70(8 Suppl):Abstract nr 4473.
Synthesis of niobium substituted cobalt-nickel nano-ferrite (Co<sub>0.5</sub>Ni<sub>0.5</sub>Nb<sub>x</sub>Fe<sub>2-x</sub>O<sub>4</sub> (x ≤ 0.1) by hydrothermal approach show strong anti-colon cancer activities (2020)

The combination of two or more nanoparticles found to be effective strategy to synthesize nanocomposites for better drug delivery and treatment. In the present study, we have combined cobalt (Co), nickel (Ni), niobium (Nb), and iron oxide (Fe2O4) and prepared niobium substituted cobalt-nickel nano-ferrite nanocomposites (Co0.5Ni0.5NbxFe2-xO4 (x ≤ 0.1) by using hydrothermal approach. We have characterized the structure and morphology of nanocomposites by using XRD, EDX, TEM and SEM methodologies. We have examined the impact of nanocomposites (Co0.5Ni0.5NbxFe2-xO4 (x ≤ 0.1) on cancerous cells (human colorectal carcinoma cells, HCT-116) by using MTT assay. We have also checked the impact of nanocomposites on normal and non-cancerous cells (human embryonic kidney cells, HEK-293) to confirm the specificity of their actions. Post- 48 h treatment of Co0.5Ni0.5NbxFe2-xO4 (x ≤ 0.1) led to dose-dependent inhibition of cancer cells growth and proliferation. However, no cytotoxic effect was observed on the normal cells (HEK-293). In addition, DAPI stained nuclear DNA staining analysis demonstrates that the Co0.5Ni0.5NbxFe2-xO4 (x ≤ 0.1) treatment also caused nuclear DNA disintegration which is the marker for programmed cell death. These results demonstrate that synthesized nanocomposites Co0.5Ni0.5NbxFe2-xO4 (x ≤ 0.1) selectively target the colon cancer cells and induce cancer cell death.Communicated by Ramaswamy H. Sarma
Iridium‐Catalyzed Reductive Coupling of Grignard Reagents and Tertiary Amides (2020)

Abstract This article describes the procedure for iridium‐catalyzed reductive coupling of grignard reagents and tertiary amides. It presents some of the important points to be considered, the conditions that need to be maintained, characterization data, and the reagents required, as well as the techniques used and the equipment setup that are vital to carrying out the process. The article also describes the hazards associated with N,Ndimethylbenzamide, carbonylchlorobis(triphenylphosphine)iridium (I), dichloromethane, 1,1,3,3‐tetramethyldisiloxane, ethylmagnesium bromide (3.0 M in diethyl ether), diethyl ether, hydrochloric acid in dioxane (4.0 M), ethyl acetate, and methanol. The mild, yet highly active and chemoselective catalytic system formed from Vaska's complex and 1,1,3,3‐tetramethyldisiloxane allows reductive coupling of Grignard reagents to amides in an efficient fashion. This reaction offers a new strategy for the efficient and scalable synthesis of tertiary a‐branched amines including application in late‐stage functionalization.
Network Risk and Forecasting Power in Phase-Flipping Dynamical Networks (2014)

In order to model volatile real-world network behavior, we analyze phase-flipping dynamical scale-free network in which nodes and links fail and recover. We investigate how stochasticity in a parameter governing the recovery process affects phase-flipping dynamics, and find the probability that no more than q% of nodes and links fail. We derive higher moments of the fractions of active nodes and active links, $f_n(t)$ and $f_{\ell}(t)$, and define two estimators to quantify the level of risk in a network. We find hysteresis in the correlations of $f_n(t)$ due to failures at the node level, and derive conditional probabilities for phase-flipping in networks. We apply our model to economic and traffic networks.
Using new technology for systems documentation (1981)

Recent conferences on future technology have lead to dreaming of the “perfect” on-line documentation system for the paperless office. This panel discussion on Using the New Technology will present specifications for one such “perfect” system. The audience will be invited to consider what changes and improvements they would make. The object of this exercise will be to encourage someone to build and market such a system. Similar systems already exist but they are less than “perfect”.
O4–07–02: Longitudinal multi‐tracer positron emission tomography studies of astrocytosis, fibrillar amlyloid deposition and cerebral glucose metabolism during development of early‐onset familial Alzheimer's disease (2013)

It is important to map the time course of the earliest pathological changes in Alzheimer's disease (AD) brain which will enable earliest prevention treatment options. We employ a multi-tracer positron emission tomography (PET) approach to explore brain regional characteristics and interrelationship between astrocyte activation (astrocytosis), fibrillar beta amyloid burden, and cerebral glucose metabolism in presymptomatic and symptomatic stages of early-onset familial AD (eoFAD). 11C-PIB, 11C-d-depenyl (DED) and 18F-FDG PET scans were performed in 23 eoFAD members harbouring four different AD mutations . Twenty-three MCI and AD patients underwent for comparison similar studies. The eoFAD family members were recruited blindly to their mutation status The distance to expected onset varied from 27 -3 years for presymptomatic carriers and +1–4 years for symptomatic carriers. All participants underwent neuropsychological examination, APOE genotyping and magnet resonance imaging (MRI). A principle component analysis (PCA) model was created for eoFAD presymptomatic carriers, non-carriers, symptomatic carriers, MCI PIB+, MCI PIB-, AD. PIB, DED slope and FDG-PET measures from 24 brain regions resulted in a total of 72 variables in final analysis. When extrapolating the PET data in relationship to the distance to expected age of disease onset, a simple regression yielded significance for all tracers. Regional brain analysis showed DED slope values in presymptomatic carriers with the earliest pathological increase in 11C-DED binding 25 years before expected disease onset and with decreasing levels the closer the mutation carriers came to their expected age of onset. High regional PIB retention was observed in mutation carriers 15 years before expected age of onset while FDG uptake showed decrease about 5 years later. Follow-up studies in 11 presymtomatic eo-FAD members 2–3 year later has so far showed in mutation carriers a decrease in FDG uptake, high DED binding and increasing PIB retention in comparison to non mutation carriers with more unchanged values. Astrocytosis appears to be an early phenomena in eoFAD pathology preceding by years the deposition of fibrillar amyloid. Furthermore, it shows a more dynamic time course in comparison to relative stable plateau levels of fibrillar amyloid during disease progression which might have implication for future drug intervention.
Long-term Outcomes of Radiation Therapy for Prostate Cancer in Elderly Patients Aged ≥75 Years (2022)

IMRT and VMAT are effective treatment options for elderly patients with prostate cancer and in a good general condition.
Gas-phase ultraviolet photoelectron spectroscopic study of the 3,7-diphenyl- and 3,7-bis(dimethylamino)-1,5-dithia-2,4,6,8-tetrazocines (1987)

The HeI and HeII photoelectron spectra of 3,7-diphenyl-and 3,7-bis(dimethylamino)-1,5-dithia-2,4,6,8-tetrazocines are reported. Experimental results are in qualitative agreement with previously reported STO-3G and STO-3G + 5D calculations. An analysis of the spectral features confirms the predicted difference in the nature of the HOMO for the two compounds.
Synergistic Stain Removal Achieved by Controlling the Fractions of Light and Thermo Responsive Components in the Dual-Responsive Copolymer Immobilized on Cotton Fabrics by Cross-Linker (2021)

Enhanced synergistic stain removal is realized by tailoring the comonomer fractions of a light- and thermo-dual responsive copolymer, which is immobilized on cotton fabrics by a cross-linker. The copolymer poly(acrylamide azobenzene-<i>co</i>-ethylene glycol methacrylate-<i>co</i>-triethylene glycol methyl ether methacrylate), denoted P(AAAB<sub>1</sub>-<i>co</i>-EGMA<sub>2</sub>-<i>co</i>-MEO<sub>3</sub>MA<sub>17</sub>), is prepared by the ATRP polymerization method. The present molar ratio for these monomers is 1:2:17. Because of the existence of the light-responsive AAAB unit, the transition temperature of its aqueous solution under UV radiation is shifted to 39 °C, which is 2 °C higher than that in ambient conditions. This increase is caused by the trans-cis isomerization from the azobenzene groups, indicating an increased hydrophilicity of P(AAAB<sub>1</sub>-<i>co</i>-EGMA<sub>2</sub>-<i>co</i>-MEO<sub>3</sub>MA<sub>17</sub>) under UV radiation. After being immobilized onto cotton fabrics by a cross-linker, they are also dual-responsive. The equilibrium swelling ratio (ESR) of the cotton fabrics is further increased after UV radiation. Compared to our former investigation, the reduction of the AAAB molar fraction from 0.1 to 0.05 causes an increase of the ESR value by 10%. Moreover, the stain removal efficiency of the cotton fabrics immobilized with P(AAAB<sub>1</sub>-<i>co</i>-EGMA<sub>2</sub>-<i>co</i>-MEO<sub>3</sub>MA<sub>17</sub>) by cross-linker is also significantly improved under UV radiation. The hydrophilicity of the copolymer mainly from the MEO<sub>3</sub>MA units is crucial to the cleaning capability. Additionally lowering the attachment between stain and the copolymer coating on the cotton fabrics by trans-cis isomerization in those AAAB units also favors the cleaning. Hence, the stain removal is strongly improved by optimizing the fraction of light- versus thermo-responsive components in the copolymer, which can profoundly reduce the consumption of chemical detergents and energy during laundry.
DISTINCTIVE STRUCTURE-REACTIVITY SEQUENCES IN THE TYPE I AND TYPE II CYCLOADDITIONS OF CYCLOPROPYL-SUBSTITUTED ETHYLENE WITH TETRACYANOETHYLENE (1980)

Abstract Structure-reactivity sequences of two cycloadditions, distinctive in pattern, between cyclopropylethylene and tetracyanoethylene were totally different. In the type I, a bulky group at C2 decreased the rate of the reaction, whereas, in the type II, bulky alkyls at C2 enhanced the reactivity. The results accommodate to a proposed scheme involving an electron transfer step.
ChemInform Abstract: GNIDIDIONE, A NEW FURANOSESQUITERPENE FROM GNIDIA LATIFOLIA (1977)

Abstract Das neue Sesquiterpen besitzt die Struktur (I).
Tandem Reduction−Chloroallylboration of Esters:  Asymmetric Synthesis of Lamoxirene, the Spermatozoid Releasing and Attracting Pheromone of the Laminariales (Phaeophyceae) (2000)

The asymmetric synthesis of all four stereoisomers of lamoxirene (cis-2-cyclohepta-2,5-dienyl-3-vinyloxirane), the spermatozoid-releasing and -attracting pheromone of the Laminariales (Phaeophyceae), is reported. Chiral ethyl cyclohepta-2,5-diene carboxylates, prepared by a divinylcyclopropane Cope rearrangement, were effectively alkylated by means of a novel tandem DIBAL-H reduction/asymmetric alpha-chloroallylboration using (Z)-gamma-chloroallyldiisopinocampheylboranes. The ensuing syn-alpha-chlorohydrins were transformed into the corresponding vinyloxiranes with DBU, providing all four isomers of the pheromone in good chemical and excellent optical yield (90-97% ee). Spermatozoid-release assays were conducted with the sympatrically growing species L. digitata, L. hyperborea, and L. saccharina and established (1'S,2R,3S)-1c as the most active isomer in all cases.
Influence of the Film Thickness and Morphology on the Colorimetric Properties of Spray-Coated Electrochromic Disubstituted 3,4-Propylenedioxythiophene Polymers (2009)

Variation of the colorimetric properties as a function of the film thickness and morphology has been investigated for two spray-coated electrochromic disubstituted 3,4-propylenedioxythiophene polymers. Changes in the luminance, hue, and saturation have been tracked using CIE 1931 Lxy chromaticity coordinates, with CIELAB 1976 color space coordinates, L*, a*, and b*, being used to quantify the colors. For (precycled) neutral PProDOT-(Hx)(2) films, with an increase in the thickness, L* is seen to decrease, with a* and b* coordinates moving in positive and negative directions, respectively, with quantification of the pink/purple (magenta) color as the summation of red and blue. For all thicknesses, L* is comparable, pre- and postcycling, with a* decreasing (less red) and b* becoming more negative (more blue) and the film now appearing as purple in the neutral state. Color coordinates for the reverse (reduction) direction exhibited hysteresis in comparison with the initial oxidation, with the specific choice of perceived color values depending not only on the film thickness but also on both the potential applied and from which direction the potential is changed. Neutral PProDOT-(2-MeBu)(2) films appear blue/purple to the eye both as-deposited and after potential cycling to the transparent oxidized state. For the neutral, colored state, with an increase in the thickness, L* is seen to decrease, with a* and b* coordinates moving in positive and negative directions, respectively. For PProDOT-(2-MeBu)(2) films, the a* coordinates are lower positive values and the b* coordinates are higher negative values, thus quantifying the high dominance of the blue color in the blue/purple films compared to the pink/purple PProDOT-(Hx)(2) films. As for the PProDOT-(Hx)(2) films, the tracks of the color coordinates show that the specific choice of perceived color values depends on the film thickness. Unlike the PProDOT-(Hx)(2) films, hysteresis is absent in the oxidation/reduction track of the x-y coordinates for the PProDOT-(2-MeBu)(2) films, although slight hysteresis is present in the luminance. Characterization of the film morphologies through atomic force microscopy reveals a much rougher, higher surface area morphology for the PProDOT-(2-MeBu)(2) films versus the PProDOT-(Hx)(2) films. The branched repeat unit in the PProDOT-(2-MeBu)(2) films provides a structure that allows ions to ingress/egress more effectively, thus removing hysteresis from the optical response.
Electronic Skins for Robotics and Wearables (2020)

Human skin is a large-area, multi-point, multi-modal stretchable sensor that has inspired the development of electronic skin for robots, enabling them to simultaneously detect pressure and thermal distributions. By improving its conformability, the application of electronic skin has expanded from robots to the human body such that an ultrathin semiconductor membrane can be directly laminated onto skin. Such intimate and conformal integration of electronics with human skin, namely, smart skin, enables the continuous monitoring of health conditions. In this paper, we report the recent progress of stretchable thin-film sensors that are developed by our team for application to robotics and wearables.
SYNTHESIS AND BIOLOGICAL EVALUATION OF CIS-COMBRETASTATIN ANALOGS AND THEIR NOVEL 1,2,3-TRIAZOLE DERIVATIVES (2005)

Article SYNTHESIS AND BIOLOGICAL EVALUATION OF CIS-COMBRETASTATIN ANALOGS AND THEIR NOVEL 1,2,3-TRIAZOLE DERIVATIVES was published on April 1, 2005 in the journal Heterocyclic Communications (volume 11, issue 2).
Structural definition of a pan-sarbecovirus neutralizing epitope on the spike S2 subunit (2022)

Three betacoronaviruses have crossed the species barrier and established human-to-human transmission causing significant morbidity and mortality in the past 20 years. The most current and widespread of these is SARS-CoV-2. The identification of CoVs with zoonotic potential in animal reservoirs suggests that additional outbreaks could occur. Monoclonal antibodies targeting conserved neutralizing epitopes on diverse CoVs can form the basis for prophylaxis and therapeutic treatments and enable the design of vaccines aimed at providing pan-CoV protection. We previously identified a neutralizing monoclonal antibody, CV3-25 that binds to the SARS-CoV-2 spike, neutralizes the SARS-CoV-2 Beta variant comparably to the ancestral Wuhan Hu-1 strain, cross neutralizes SARS-CoV-1 and binds to recombinant proteins derived from the spike-ectodomains of HCoV-OC43 and HCoV-HKU1. Here, we show that the neutralizing activity of CV3-25 is maintained against the Alpha, Delta, Gamma and Omicron variants of concern as well as a SARS-CoV-like bat coronavirus with zoonotic potential by binding to a conserved linear peptide in the stem-helix region. Negative stain electron microscopy and a 1.74 Å crystal structure of a CV3-25/peptide complex demonstrates that CV3-25 binds to the base of the stem helix at the HR2 boundary to an epitope that is distinct from other stem-helix directed neutralizing mAbs.
Insulinoma cell calcium-sensing receptor influences insulin secretion in a case with concurrent familial hypocalciuric hypercalcemia and malignant metastatic insulinoma. (2008)

These results suggest that the CaSR gene is involved in ASVS-induced insulin secretion.
Harmonically mode-locked VECSELs for multi-GHz pulse train generation (2007)

We report on optically-pumped vertical-external-cavity surface-emitting lasers passively mode-locked with a semiconductor saturable-absorber mirror. The potential of harmonic mode-locking in producing pulse trains at multigigahertz repetition rates has been explored. The results present first systematic study of multiple pulse formation in passively mode-locked VECSELs.
Excitation power dependence of Eu3+ photoluminescence in barium borate glass (2018)

Eu3+-doped barium borate glasses are analysed for their optical and excitation power dependent luminescence properties. The glasses, doped with different concentrations of the lanthanide ion Eu3+, provide photoluminescence quantum efficiencies higher than 80% and, show a bright luminescence in the red spectral range, making them attractive for lighting applications.
Nucleotide polymorphism within the seven housekeeping genes used for MLST&lt;b&gt;.&lt;/b&gt; (2015)

&lt;p&gt;N = number of STs or samples subjected for analysis. Sites = length of sequences after alignments. Net Sites = length of sequences subjected for analysis (the gaps or missing data are rejected from analysis). S = polymorphic sites. Hap = haplotypes. Hd = haplotypic diversity. π = nucleotide diversity. θ = average number of nucleotide differences per site. Ka/Ks&lt;b&gt; = &lt;/b&gt;ratio of the number of non-synonymous substitutions per non-synonymous site (Ka) to the number of synonymous substitutions per synonymous site (Ks).&lt;/p&gt;&lt;p&gt;Nucleotide polymorphism within the seven housekeeping genes used for MLST&lt;b&gt;.&lt;/b&gt;&lt;/p&gt;
Supplementary Figure from Molecular Profile Changes in Patients with Castrate-Resistant Prostate Cancer Pre- and Post-Abiraterone/Prednisone Treatment (2023)

Supplementary Figure from Molecular Profile Changes in Patients with Castrate-Resistant Prostate Cancer Pre- and Post-Abiraterone/Prednisone Treatment