gebhart/patrepeval huggingface dataset:
Evidence for the Iron(III) Oxidation State in Bis(imino)pyridine Catalysts. A Density Functional Theory Study (2008)

We report a theoretical analysis based on density functional theory devoted to the study of the activated iron bis(imino)pyridine catalysts {[2,6-(2-C6H4(CH3))2-C5H3N]FenRx]n−x} (n = 2, 3; x = 1, 2; R = Me, Cl). The aim of this work is to obtain detailed information on the nature (oxidation state and spin multiplicity) of the iron active species, by studying the coordination and insertion of the first ethylene molecule with the 10 most reasonable activated species that can be formed out of {[2,6-(2-C6H4(CH3))2-C5H3N]FeCl2} after reaction with MAO. The relatively small exothermicity of the coordination reaction of ethylene, calculated for disubstituted species, allowed us to exclude them from further examination. The coordination and insertion reaction pathway for the two most reactive activated catalysts, i.e., monomethylated Fe(III) and Fe(II) species, were then evaluated on the B3LYP/Lacvp** potential energy surface (PES), taking into account all possible spin states and several coordination modes of the ethylene molecule. These reactions take place at the quintet PES for the Fe(II) and quartet PES for the Fe(III) species. For the latter, more favorable reaction and activation enthalpies for the insertion reaction were calculated: Fe(II), ΔH(298 K) = –14.1 kcal/mol and ΔH⧧(298 K) = +21.6 kcal/mol; Fe(III), ΔH(298 K) = −22.8 kcal/mol and ΔH⧧(298 K) = +10.0 kcal/mol. Assuming similar insertion barriers for the second insertion reaction, the β-hydrogen transfer termination reaction (ΔH⧧ = +11.9 kcal/mol) is favored over further chain growth for [FeIIMe]+, whereas for [FeIIIMe]2+ catalyst chain growth and termination reaction are clearly in competition (ΔH⧧ = +10.0 and +12.1 kcal/mol, respectively). On the basis of these results, we conclude that the most activated species has oxidation state III and is likely expected to produce oligomers in agreement with results from experimental studies.
Emerging Imaging Technologies for Parathyroid Gland Identification and Vascular Assessment in Thyroid Surgery (2023)

Emerging technologies hold promise to improve PG identification and preservation during thyroidectomy. Future research should address variables affecting the degree of fluorescence in NIRAF, standardization of signal quantification, definitions and standardization of parameters of indocyanine green injection that correlate with postoperative PG function, the financial effect of these emerging technologies on near-term and longer-term costs, the adoption learning curve and effect on surgical training, and long-term outcomes of key quality metrics in adequately powered randomized clinical trials evaluating PG preservation.
Synthetic polypeptide having a xylose import activity (2023)

This disclosure provides methods and compositions related to microbial gene expression. In one aspect, a synthetic polypeptide having a xylose import activity.
Synthesis and characterization of nanophase Group 6 metal (M) and metal carbide (M2C) powders by chemical reduction methods (1993)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis and characterization of nanophase Group 6 metal (M) and metal carbide (M2C) powders by chemical reduction methodsD. Zeng and M. J. Hampden-SmithCite this: Chem. Mater. 1993, 5, 5, 681–689Publication Date (Print):May 1, 1993Publication History Published online1 May 2002Published inissue 1 May 1993https://pubs.acs.org/doi/10.1021/cm00029a018https://doi.org/10.1021/cm00029a018research-articleACS PublicationsRequest reuse permissionsArticle Views445Altmetric-Citations59LEARN 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
Book Review (2006)

Oil: Politics, Poverty and the Planet. Toby Shelley. London: Zed Books, 2005. 220pp., tables, notes, index.
Diagnosis, Management, and Outcome of Aortitis at a Single Center (2017)

Takayasu arteritis was found to be more common than idiopathic inflammatory aortitis and giant cell arteritis among our 15 cases diagnosed with aortitis. All patients received medical therapy and 33% received interventional procedures, leading to 67% improvement of disease activity or related complications. This article also offers a comprehensive review of the diagnosis, management, and outcome of aortitis, supplementing the very limited literature on this disease.
A INTERSECÇÃO MÚSICA-PSICANÁLISE (2012)

Artigo que interroga o clamoroso silêncio dos principais nomes da História da Psicanálise sobre a Música e estabelece os princípios da Intersecção Música-Psicanálise, assim como o que se pode esperar de uma orientação lacaniana nesta matéria.
Potentiometric in Situ Monitoring of Anions in the Synthesis of Copper and Silver Nanoparticles Using the Polyol Process (2015)

Potentiometric sensors, such as polymeric membrane, ion-selective electrodes (ISEs), have been used in the past to monitor a variety of chemical processes. However, the use of these sensors has traditionally been limited to aqueous solutions and moderate temperatures. Here we present an ISE with a high-capacity ion-exchange sensing membrane for measurements of nitrate and nitrite in the organic solvent propylene glycol at 150 °C. It is capable of continuously measuring under these conditions for over 180 h. We demonstrate the usefulness of this sensor by in situ monitoring of anion concentrations during the synthesis of copper and silver nanoparticles in propylene glycol using the polyol method. Ion chromatography and a colorimetric method were used to independently confirm anion concentrations measured in situ. In doing so, it was shown that in this reaction the co-ion nitrate is reduced to nitrite.
Utility of spatially-resolved atmospheric pressure surface sampling and ionization techniques as alternatives to mass spectrometric imaging (MSI) in drug metabolism (2011)

Tissue distribution studies of drug molecules play an essential role in the pharmaceutical industry and are commonly undertaken using quantitative whole body autoradiography (QWBA) methods. The growing need for complementary methods to address some scientific gaps around radiography methods has led to increased use of mass spectrometric imaging (MSI) technology over the last 5 to 10 years. More recently, the development of novel mass spectrometric techniques for ambient surface sampling has redefined what can be regarded as "fit-for-purpose" for MSI in a drug metabolism and disposition arena. Together with a review of these novel alternatives, this paper details the use of two liquid microjunction (LMJ)-based mass spectrometric surface sampling technologies. These approaches are used to provide qualitative determination of parent drug in rat liver tissue slices using liquid extraction surface analysis (LESA) and to assess the performance of a LMJ surface sampling probe (LMJ-SSP) interface for quantitative assessment of parent drug in brain, liver and muscle tissue slices. An assessment of the utility of these spatially-resolved sampling methods is given, showing interdependence between mass spectrometric and QWBA methods, in particular there emerges a reason to question typical MSI workflows for drug metabolism; suggesting the expedient use of profile or region analysis may be more appropriate, rather than generating time-intensive molecular images of the entire tissue section.
Supplementary Figure 1 from Vulnerabilities of <i>PTEN</i>–<i>TP53</i>-Deficient Prostate Cancers to Compound PARP–PI3K Inhibition (2023)

&lt;p&gt;PDF - 546K, Olaparib induces a differing response in vitro depending on the genetic background.&lt;/p&gt;
038 Validation of the Priapism Profile Impact Questionnaire (2016)

The priapism impact profile (PIP) questionnaire is the first validated instrument to assess adverse health impact in men with priapism across 3 domains: quality of life (QoL), sexual function (SF) and physical wellness (PW). Higher scores indicate greater dissatisfaction within each domain. Our objective was to perform a cross-sectional validation of the questionnaire in a sample of Jamaican men with Sickle Cell Disease (SCD). Cross-sectional validation of the questionnaire was carried out in a sample of men attending the Sickle Cell Unit, University of West Indies, Kingston, Jamaica from May 1-August 3, 2015. Male patients with active priapism (most recent priapism episode within past year) or remitted priapism (most recent priapism episode > 1 year) were included. All participants were required to complete the 12-item PIP questionnaire and rate each question for importance and clarity. The International Index of Erectile Function (IIEF), Sexual Health Inventory for Men (SHIM) and sexual activity log were also completed by all participants.
PAT Application in the Expedited Development of a Three-Step, One-Stage Synthesis of the Dipeptide Intermediate of HCV Protease Inhibitor Faldaprevir (2013)

A concise scalable synthesis of a chiral dipeptide acid, key substructure of the HCV protease inhibitor faldaprevir, has been developed. A green process with an E-factor of 9.2 was achieved utilizing process analytical technology (PAT) to allow effective processing of multiple-steps in a one-stage operation. Mixed anhydride/oxazolone formation, peptide coupling, saponification, and then crystallization of the desired dipeptide acid were completed within 10 h. MultiMaxIR was used to detect the formation and consumption rates of key intermediates and to provide initial safety data which was subsequently confirmed by more comprehensive process safety testing. Further kinetic analysis was performed to determine the range of operability space to ensure conditions for a robust process.
Distribution of ankle—brachial index and the risk factors of peripheral artery disease in a multi-ethnic Asian population (2011)

Peripheral artery disease (PAD) is a manifestation of systemic atherosclerosis and is associated with increased cardiovascular morbidity and mortality. We describe the prevalence and risk factors of PAD in a multi-ethnic Asian population (Chinese, Malays and Indians) in Singapore. The Singapore Prospective Study Program recruited 4132 individuals between 2004 and 2006 in which the ankle-brachial index (ABI) was measured using the Smartdop™ 20EX bi-directional blood flow detector. PAD was defined as ≤ 0.9 and a high ABI > 1.4, with ABI 1.11-1.20 as reference. The mean age (SD) of individuals in the study was 49.9 (11.8) years, with 51.8% females. PAD was present in 4.3% of the population and a high ABI (> 1.4) was rare. Malays and Indians had a higher risk (especially in females). Compared to those with an ABI between 1.11 and 1.20, those with PAD were more likely to be of Malay and Indian ethnicity, female sex, with higher systolic blood pressure and pulse pressure, with increased prevalence of diabetes mellitus, hypertension, albuminuria and renal impairment, and with a past history of stroke. In conclusion, in this large multi-ethnic Asian population, we document the distribution and risk factor associations for PAD. PAD shows an ethnic distribution similar to that of coronary artery disease in Singapore, with differences in sex distribution. Apart from traditional vascular risk factors, pulse pressure, renal impairment and a past history of stroke are important determinants of PAD.
Effect of Celecoxib vs Placebo as Adjuvant Therapy on Disease-Free Survival Among Patients With Breast Cancer (2021)

ClinicalTrials.gov Identifier: NCT02429427 and isrctn.org Identifier: ISRCTN48254013.
Nuclear accumulation of KPNA2 impacts radioresistance through positive regulation of the PLSCR1‐STAT1 loop in lung adenocarcinoma (2021)

Lung adenocarcinoma (ADC) is the predominant histological type of lung cancer, and radiotherapy is one of the current therapeutic strategies for lung cancer treatment. Unfortunately, biological complexity and cancer heterogeneity contribute to radioresistance development. Karyopherin α2 (KPNA2) is a member of the importin α family that mediates the nucleocytoplasmic transport of cargo proteins. KPNA2 overexpression is observed across cancer tissues of diverse origins. However, the role of KPNA2 in lung cancer radioresistance is unclear. Herein, we demonstrated that high expression of KPNA2 is positively correlated with radioresistance and cancer stem cell (CSC) properties in lung ADC cells. Radioresistant cells exhibited nuclear accumulation of KPNA2 and its cargos (OCT4 and c-MYC). Additionally, KPNA2 knockdown regulated CSC-related gene expression in radioresistant cells. Next-generation sequencing and bioinformatic analysis revealed that STAT1 activation and nuclear phospholipid scramblase 1 (PLSCR1) are involved in KPNA2-mediated radioresistance. Endogenous PLSCR1 interacting with KPNA2 and PLSCR1 knockdown suppressed the radioresistance induced by KPNA2 expression. Both STAT1 and PLSCR1 were found to be positively correlated with dysregulated KPNA2 in radioresistant cells and ADC tissues. We further demonstrated a potential positive feedback loop between PLSCR1 and STAT1 in radioresistant cells, and this PLSCR1-STAT1 loop modulates CSC characteristics. In addition, AKT1 knockdown attenuated the nuclear accumulation of KPNA2 in radioresistant lung cancer cells. Our results collectively support a mechanistic understanding of a novel role for KPNA2 in promoting radioresistance in lung ADC cells.
Histological evaluation of mechanical epithelial separation in epithelial laser in situ keratomileusis (2009)

Epithelial flaps created with an epikeratome were mechanically separated partly within the lamina fibroreticularis and partly within the lamina lucida. Stromal beds had relatively smooth surfaces with no obvious trauma to Bowman layer.
Human circulating AC133+ stem cells restore dystrophin expression and ameliorate function in dystrophic skeletal muscle (2004)

Duchenne muscular dystrophy (DMD) is a common X-linked disease characterized by widespread muscle damage that invariably leads to paralysis and death. There is currently no therapy for this disease. Here we report that a subpopulation of circulating cells expressing AC133, a well-characterized marker of hematopoietic stem cells, also expresses early myogenic markers. Freshly isolated, circulating AC133 + cells were induced to undergo myogenesis when cocultured with myogenic cells or exposed to Wnt-producing cells in vitro and when delivered in vivo through the arterial circulation or directly into the muscles of transgenic scid/mdx mice (which allow survival of human cells). Injected cells also localized under the basal lamina of host muscle fibers and expressed satellite cell markers such as M-cadherin and MYF5. Furthermore, functional tests of injected muscles revealed a substantial recovery of force after treatment. As these cells can be isolated from the blood, manipulated in vitro, and delivered through the circulation, they represent a possible tool for future cell therapy applications in DMD disease or other muscular dystrophies.
Improving Burst Error Tolerance of LDPC-Centric Coding Systems in Read Channel (2009)

<para xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> We report on the use of low-density parity check (LDPC)-centric error correction coding (ECC) for magnetic recording read channel in the presence of significant burst errors. Since an LDPC code by itself is severely vulnerable to burst errors due to its soft-decision probability-based decoding, we focus on LDPC-centric concatenated coding in which LDPC code is used as inner code. To improve the burst error tolerance, we propose a hybrid LDPC-centric concatenated coding strategy in which one inner LDPC codeword is replaced by another codeword with much stronger burst error correction capability. This special inner codeword reveals the burst error location information, which can be leveraged by the inner LDPC code decoding to largely improve the overall robustness to burst errors. Using a hybrid BCH-LDPC/RS concatenated coding system as a test vehicle, we demonstrate a significant performance advantage over its RS-only and LDPC-only counterparts in the presence of three different types of burst errors. </para>
Free Convection Effects on the Developing Laminar Flow in Vertical Concentric Annuli (1980)

Coupled energy and momentum boundary layer equations have been numerically solved for the problem of combined forced-free laminar convection in the entrance region of vertical concentric annuli. Both upflow and downflow of a fluid with Pr = 0.7 are considered under the thermal conditions of one wall being isothermal and the other adiabatic. Results for the development of velocity profiles, axial distance at which the axial velocity gradient normal to the wall vanishes, pressure drop, and heat transfer characteristics are presented at various values of the parameter Gr/Re ranged from −700 to 1500.
Extracellular phospholipase activity is a virulence factor for Cryptococcus neoformans (2001)

The human pathogenic fungus Cryptococcus neoformans secretes a phospholipase enzyme that demonstrates phospholipase B (PLB), lysophospholipase hydrolase and lysophospholipase transacylase activities. This enzyme has been postulated to be a cryptococcal virulence factor. We cloned a phospholipase-encoding gene (PLB1) from C. neoformans and constructed plb1 mutants using targeted gene disruption. All three enzyme activities were markedly reduced in the mutants compared with the wild-type parent. The plb1 strains did not have any defects in the known cryptococcal virulence phenotypes of growth at 37 degrees C, capsule formation, laccase activity and urease activity. The plb1 strains were reconstituted using the wild-type locus and this resulted in restoration of all extracellular PLB activities. In vivo testing demonstrated that the plb1 strain was significantly less virulent than the control strains in both the mouse inhalational model and the rabbit meningitis model. We also found that the plb1 strain exhibited a growth defect in a macrophage-like cell line. These data demonstrate that secretory phospholipase is a virulence factor for C. neoformans.
Abstract 5390: QBI-139, a human RNase variant in a phase I trial, works in combination (2010)

Abstract The EVade™ Ribonucleases (RNases) are a new class of anti-cancer drugs that target the RNA in cancer cells. These EVade™ RNases are variants of native mammalian RNases that have been converted to anti-cancer agents by diminishing their binding to their natural inhibitor protein. One of these EVade™ RNases, called QBI-139, has advanced to human clinical trials. QBI-139 shares 95% sequence identity with the wild type human RNase 1. QBI-139 has shown tumor growth inhibition against a variety of cancers, including: colon, non-small cell lung, ovarian, pancreatic and prostate cancers. QBI-139 is currently in a Phase I clinical trial in patients with solid tumors. A frog RNase called Ranpirnase (Alfacell) that shares only 20% sequence identity with human RNase 1 has been in clinical trials and responses have been seen in esophageal, non-small cell lung and breast cancers as well as unresectable mesothelioma. The next stage of clinical development of QBI-139 will require selection of a specific indication as well as an existing treatment regimen to be used in combination with QBI-139. The Phase I trial may provide insights about sensitive tumor types. However, mouse models of cancer will be used to select the combinations for development. QBI-139 has shown efficacy against non-small cell lung cancer (A549 cell line) in xenograft models. Cisplatin is a standard of care treatment for non-small cell lung cancer in patients. The ability of QBI-139 and cisplatin to work together to cause tumor growth inhibition was determined in a non-small cell lung cancer xenograft model (A549 cell line). Cisplatin (3 mg/kg) and QBI-139 (15 mg/kg) were used as controls. The combination of cisplatin and QBI-139 (3 and 15 mg/kg, respectively) was also tested. Cisplatin treatment resulted in tumor growth inhibition (TGI) of 60% while QBI-139 caused 76% TGI. The combination of the two drugs resulted in a TGI of 96%, strongly supporting the use of QBI-139 in combination with cisplatin for the treatment of lung cancer. Even the combination of the two drugs exhibited minimal impact on the health of the animals. EVade™ Ribonucleases are novel agents that provide a new way to target the RNA in cancer cells and are an innovative new tool for oncologists. QBI-139 has a variety of benefits, including: a novel mechanism of action with clinical support, broad in vivo anti-tumor activity alone and in combination with standard of care therapies and a strong tolerability profile. 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 5390.
Deficiency In Serum Ionized Magnesium But Not Total Magnesium In Patients With Migraines. Possible Role Of Ica 2+ /IMg 2+ Ratio (1993)

It has been suggested that magnesium (Mg) may play a role in the pathogenesis of headaches. Serum and intracellular measurements of Mg in headache patients have produced inconsistent results. The recent development of an ion-selective electrode for Mg2+ allowed precise measurement of serum ionized magnesium (IMg2+) in patients with various headache syndromes. Low serum IMg2+ and a high ICa2+/IMg2+ ratio were found in 42% of patients having an attack of migraine, but only in 23% of patients with a severe continuous headache. Total serum Mg was normal in both groups of patients. However, in patients with low serum IMg2+ total serum Mg was lower than in patients with normal serum IMg2+. These results are compatible with the serotonin and vascular concepts of migraine pathogenesis. Low IMg2+ and a high ICa2+/IMg2+ would result in cerebral vasospasm and reduced blood flow in the brain. The activity of serotonin receptors can also be affected by changes in IMg2+ levels. The finding of a difference in IMg2+ levels in two different headache types suggests a possible novel classification of headaches and that migraine patients with a low serum IMg2+ or a high ICa2+/IMg2+ ratio may benefit from Mg supplementation.