gebhart/patrepeval huggingface dataset:
Hydrogenation and Dehydrogenation Iron Pincer Catalysts Capable of Metal–Ligand Cooperation by Aromatization/Dearomatization (2015)

The substitution of expensive and potentially toxic noble-metal catalysts by cheap, abundant, environmentally benign, and less toxic metals is highly desirable and in line with green chemistry guidelines. We have recently discovered a new type of metal-ligand cooperation, which is based on the reversible dearomatization/aromatization of different heteroaromatic ligand cores caused by deprotonation/protonation of the ligand. More specifically, we have studied complexes of various transition metals (Ru, Fe, Co, Rh, Ir, Ni, Pd, Pt, and Re) bearing pyridine- and bipyridine-based PNP and PNN pincer ligands, which have slightly acidic methylene protons. In addition, we have discovered long-range metal-ligand cooperation in acridine-based pincer ligands, where the cooperation takes place at the electrophilic C-9 position of the acridine moiety leading to dearomatization of its middle ring. This type of metal-ligand cooperation was used for the activation of chemical bonds, including H-H, C-H (sp(2) and sp(3)), O-H, N-H, and B-H bonds. This unusual reactivity likely takes place in various catalytic hydrogenation, dehydrogenation, and related reactions. In this Account, we summarize our studies on novel bifunctional iron PNP and PNN pincer complexes, which were designed on the basis of their ruthenium congeners. Iron PNP pincer complexes serve as efficient (pre)catalysts for hydrogenation and dehydrogenation reactions under remarkably mild conditions. Their catalytic applications include atom-efficient and industrially important hydrogenation reactions of ketones, aldehydes, and esters to the corresponding alcohols. Moreover, they catalyze the hydrogenation of carbon dioxide to sodium formate in the presence of sodium hydroxide, the selective decomposition of formic acid to carbon dioxide and hydrogen, and the E-selective semihydrogenation of alkynes to give E-alkenes. These catalysts feature, compared to other iron-based catalysts, very high catalytic activities which in some cases can even exceed those of state-of-the-art noble-metal catalysts. For the iron PNP systems, we describe the synthesis of the pyridine- and acridine-based PNP iron complexes and their performances and limitations in catalytic reactions, and we present studies on their reactivity with relevance to their catalytic mechanisms. In the case of the bipyridine-based PNN system, we summarize the synthesis of new complexes and describe studies on the noninnocence of the methylene position, which can be reversibly deprotonated, as well as on the noninnocence of the bipyridine unit. Overall, this Account underlines that the combination of cheap and abundant iron with ligands that are capable of metal-ligand cooperation can result in the development of novel, versatile, and efficient catalysts for atom-efficient catalytic reactions.
Mass spectrometry in clinical glycomics: The path from biomarker identification to clinical implementation (2020)

Over the past decades, the genome and proteome have been widely explored for biomarker discovery and personalized medicine. However, there is still a large need for improved diagnostics and stratification strategies for a wide range of diseases. Post-translational modification of proteins by glycosylation affects protein structure and function, and glycosylation has been implicated in many prevalent human diseases. Numerous proteins for which the plasma levels are nowadays evaluated in clinical practice are glycoproteins. While the glycosylation of these proteins often changes with disease, their glycosylation status is largely ignored in the clinical setting. Hence, the implementation of glycomic markers in the clinic is still in its infancy. This is for a large part caused by the high complexity of protein glycosylation itself and of the analytical techniques required for their robust quantification. Mass spectrometry-based workflows are particularly suitable for the quantification of glycans and glycoproteins, but still require advances for their transformation from a biomedical research setting to a clinical laboratory. In this review, we describe why and how glycomics is expected to find its role in clinical tests and the status of current mass spectrometry-based methods for clinical glycomics.
Solubility and micronization of griseofulvin in supercritical CHF3 (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSolubility and micronization of griseofulvin in supercritical CHF3E. Reverchon, G. Della Porta, R. Taddeo, P. Pallado, and A. StassiCite this: Ind. Eng. Chem. Res. 1995, 34, 11, 4087–4091Publication Date (Print):November 1, 1995Publication History Published online1 May 2002Published inissue 1 November 1995https://doi.org/10.1021/ie00038a051RIGHTS & PERMISSIONSArticle Views294Altmetric-Citations85LEARN 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 InReddit PDF (2 MB) Get e-Alerts Get e-Alerts
Mutual diffusion coefficients and ionic transport coefficients lij of magnesium chloride-water at 25.degree.C (1984)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMutual diffusion coefficients and ionic transport coefficients lij of magnesium chloride-water at 25.degree.CDonald G. Miller, Joseph A. Rard, Lee B. Eppstein, and John G. AlbrightCite this: J. Phys. Chem. 1984, 88, 23, 5739–5748Publication Date (Print):November 1, 1984Publication History Published online1 May 2002Published inissue 1 November 1984https://pubs.acs.org/doi/10.1021/j150667a056https://doi.org/10.1021/j150667a056research-articleACS PublicationsRequest reuse permissionsArticle Views687Altmetric-Citations61LEARN 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 optionsSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Inhibition of lipolysis during acute GH exposure increases insulin sensitivity in previously untreated GH-deficient adults (2003)

The study of acute administration of GH to previously untreated GHD patients provides compelling evidence that (i) GH-induced insulin resistance is mainly due to induction of lipolysis by GH; and (ii) inhibition of lipolysis can prevent the deterioration of insulin sensitivity. The question remains whether GH replacement therapy should, at least at the beginning of therapy, be combined with means to prevent an excessive stimulation of lipolysis by GH.
Highlights from this issue (2017)

The authors highlight the formation of cataracts with posterior capsular compromise-after neodymium-yttrium-aluminum-garnet (Nd:YAG) laser vitreolysis for symptomatic vitreous floaters-a potentially serious and undesirable complication of the procedure.
Glucose Sensors and the Alternate Site Testing-Like Phenomenon: Relationship Between Rapid Blood Glucose Changes and Glucose Sensor Signals (2003)

In the last few years blood glucose meters have been developed allowing glucose measurements in capillary blood samples collected at sites other than the fingertips. The main reason for establishing this so-called alternate site testing (AST) was to sample blood from locations with reduced pain perception. It is well known that capillary blood glucose is closely correlated to systemic (i.e., arterial) glucose levels and that under steady-state conditions, glucose values measured in blood samples collected from alternate sites are virtually identical to those collected from the fingertip. However, during rapid changes in blood glucose levels, glucose concentrations in capillary blood samples from the fingertips can differ considerably in both domains (time and concentration) from those determined in capillary blood from alternate sites (i.e., the so-called AST phenomenon). Such differences can have serious clinical consequences (e.g., risky delays in hypoglycemia detection). There is evidence that all skin sites exhibiting a reduced blood flow (in comparison with the fingertip) within the superficial skin layers are prone to this AST phenomenon. Nearly all glucose sensors having been developed so far or being currently under development measure glucose levels at alternate sites and also in another compartment [e.g., interstitial fluid (ISF)] than blood. So, in principle they might be prone to an AST-like phenomenon (i.e., rapid changes in systemic blood glucose levels may also result in delayed ISF glucose readings). Our knowledge about the impact of an AST-like phenomenon on the performance of glucose monitoring systems is presently very limited. Glucose kinetics in the different compartments during dynamic systemic blood glucose changes have not been fully elucidated yet. If an AST-like phenomenon plays a role with glucose sensors should therefore be studied. Depending on the measurement technology used for the individual type of glucose monitoring system probably this phenomenon has a variable impact on the results obtained.
Quantitative Evaluation of the Cell Cycle-Related Retinoblastoma Protein and Localization of Thy-1 Differentiation Protein and Macrophages during Follicular Development and Atresia, and in Human Corpora Lutea1 (1995)

Ovarian follicular development is dependent on growth and differentiation of the oocyte, as well as the granulosa and theca cell layers. The majority of primary follicles in the adult human ovary are not growing, and most antral follicles undergo atresia. The mechanisms regulating follicular growth and differentiation are poorly understood. Expression of key regulatory proteins in cells of certain follicles may be involved. We have studied the distribution of retinoblastoma protein (pRb), a key cell cycle regulator, in human follicles and CL by quantitative immunohistochemistry. Recent studies suggest that high nuclear concentrations of pRb are associated with the arrest of cell proliferation and the beginning of differentiation; during advanced differentiation of cells pRb is markedly depleted or absent. We also studied follicular distribution of Thy-1 differentiation protein, a morpho-regulatory molecule associated with cell differentiation, and the presence of macrophages. Macrophages have been shown to stimulate steroidogenesis in granulosa cells in vitro, and they are required for release of Thy-1 differentiation protein from vascular pericytes among granulosa cells in vivo. Our results indicate that oocytes in resting follicles exhibit pRb in the nucleoli. During initiation of follicular growth, the pRb expression first extends over the oocyte nuclei and then diminishes from both nuclei and nucleoli in preantral follicles. When the oocytes reach maximum size in small antral follicles, the pRb expression is reestablished in oocyte nucleoli. In differentiating granulosa and theca cell layers of preantral and small antral follicles, pRb expression is high, but it is low in growing large antral follicles. During CL development and regression, pRb expression in the nuclei of granulosa lutein cells first increases and then decreases. Follicular development is accompanied by the presence of Thy-1 differentiation protein and macrophages under the follicular basement membrane. In growing large antral follicles, during the mid-follicular phase, larger macrophages exhibit physical contacts with granulosa cells through the follicular basement membrane, and, during the late follicular phase, small dendritic macrophages can be detected among granulosa cells, but not within the follicular antrum. Large antral follicles undergoing atresia exhibit strong pRb expression in granulosa cells. This is accompanied by a lack of Thy-1 differentiation protein among granulosa cells and the occurrence of large phagocytic macrophages in the follicular antrum. This is the first report of pRb expression in the human ovary.(ABSTRACT TRUNCATED AT 400 WORDS)
Is leg-to-leg BIA valid for predicting minimum weight in wrestlers? (2005)

Large individual variation was seen, and, by definition, the precision was poor when estimating MW for individuals. In practical terms, the prediction error may span multiple weight classes, thus making leg-to-leg BIA unacceptable for prediction of MW in this sample under the conditions of the study.
Monotile integrators (2023)

In a recent paper, an aperiodic tesselation of the plane with a monotile was published. The monotile was sometimes called an "einstein" - one stone. Very soon, the question came up how an optical element shaped this way would behave in illumination optics.
Voltage reference using mutual compensation of mobility and threshold voltage temperature effects (2002)

Mutual compensation of mobility and threshold voltage temperature variations results in a temperature stable bias point of a n-MOS transistor. This effect is used in the proposed voltage reference circuit. The circuit includes an operational amplifier that provides biasing of a diode-connected MOS transistor to the mentioned above point of temperature compensation. Then the voltage at this point is used as the reference voltage setting the operational amplifier output voltage used for the transistor bias.
The Competencies Required by Professional Hospice Palliative Care Spiritual Care Providers (2010)

The Canadian Hospice Palliative Care Association (2002) identifies spiritual care of the dying and their families as a core service for Hospice Palliative Care programs. Yet, until the Spiritual Care Development Initiative of the Canadian Pallium Project, there was no published literature indicating systematic profiling of occupationally relevant core competencies or competency-based training programs specific to this specialized field of practice. This article describes a Canadian Community of Practice process to develop an occupational analysis-based competency profile for the Professional Hospice Palliative Care Spiritual Care Provider utilizing a modified Developing a Curriculum (DACUM) methodology. Competency profiles are important contributions to the development of curricula to train care providers who are recognized by other professions and by institutions as possessing the requisite theoretical and clinical expertise, particularly in academic tertiary care settings.
Kinetic and thermodynamic characterization of the RNA-cleaving 8-17 deoxyribozyme (2004)

The 8-17 deoxyribozyme is a small DNA catalyst of significant applicative interest. We have analyzed the kinetic features of a well behaved 8-17 construct and determined the influence of several reaction conditions on such features, providing a basis for further exploration of the deoxyribozyme mechanism. The 8-17 bound its substrate with a rate constant approximately 10-fold lower than those typical for the annealing of short complementary oligonucleotides. The observed free energy of substrate binding indicates that an energetic penalty near to +7 kcal/mol is attributable to the deoxyribozyme core. Substrate cleavage required divalent metal ion cofactors, and the dependence of activity on the concentration of Mg2+, Ca2+ or Mn2+ suggests the occurrence of a single, low-specificity binding site for activating ions. The efficiency of activation correlated with the Lewis acidity of the ion cofactor, compatible with a metal-assisted deprotonation of the reactive 2'-hydroxyl group. However, alternative roles of the metal ions cannot be excluded, because those ions that are stronger Lewis acids are also capable of forming stronger interactions with ligands such as the phosphate oxygens. The apparent enthalpy of activation for the 8-17 reaction was close to the values observed for hydroxide-catalyzed and hammerhead ribozyme-catalyzed RNA cleavage.
Globina e plasma bovinos, como substitutos de gordura em patê de presunto: efeito da incorporação e características sensoriais (2009)

Neste trabalho, foi estudado o efeito da incorporacao de globina (GL), de plasma (PL) e da associacao da globina com plasma (GP) bovinos, como substitutos de gordura sobre a qualidade do pate de presunto. Para isto, foram realizadas a determinacao da composicao quimica, a analise sensorial (cor, sabor, aroma e consistencia) e a avaliacao instrumental da textura (dureza, adesividade, elasticidade, coesividade e gomosidade). Os resultados obtidos indicaram uma elevacao do teor de umidade e de proteina das amostras com substituicao de gordura, enquanto que o teor de gordura, reduzido de 25 a 35%, levou a obtencao de produtos light. O aroma e a consistencia nao foram afetados, mas observou-se uma intensificacao de sabor e da coesividade, alem de uma reducao da cor, da dureza e da gomosidade, para algumas amostras.

PALAVRAS-CHAVE: Globina bovina; plasma bovino; substitutos de gordura; pate de presunto.
Clearwell Systems at TREC 2009 Legal Interactive (2009)

The TREC Legal Track 2009 features an Interactive Task that is designed to replicate real-world challenges in producing a collection of responsive documents from a large collection of documents. The task required us to produce responsive documents from any of the seven topics, which are production requests. Clearwell Systems incorporated novel methods for producing a responsive collection using a combination of automated sampling, evaluation of the samples, and using the samples as input into a blind relevance feedback engine. The algorithms applied use an automatic correlation covariance matrix for automatic evaluation of the samples and, using the correlation coefficient, determine whether the process of blind feedback converges to a highly correlated set of responsive documents. The number of iterations of sampling, the K-value for blind feedback, along with the final convergence threshold are monitored. The F-measure results of this are compared across the three different Interactive Topics that Clearwell participated in, for discussions. 1.
Modeling the impact of climate change on agriculture in the United States (2023)

We divide our chapter into three major sections: 1) an overview of the recent past and predicted near future changes in climate at the national and regional scale in the U.S., and the impacts of this on crop-based agriculture, in particular the direct effect on soil, water, and major cash crops; 2) a case study that uses a crop and soil biogeochemical process-based model (SALUS; Basso et al. 2006, Basso &amp; Ritchie 2015) to investigate potential responses of corn yield to continued trends in temperature and precipitation for the near future using adapted cultivar, and; 3) a summary of some of the incentives and payment mechanisms related to carbon markets, especially those that focus on agricultural product supply chains.
A multiwell plate-based system for toxicity screening under multiple static or cycling oxygen environments (2021)

Tumor tissue contains a continuous distribution of static and dynamically changing oxygen environments with levels ranging from physiologically normal oxygen down to anoxia. However, in vitro studies are often performed under oxygen levels that are far higher than those found in vivo. A number of devices are available to alter the oxygen environment in cell culture, including designs from our laboratory. However, in our devices and most other designs, changing the media in order to feed or dose cells remains a disruptive factor in maintaining a consistent hypoxic environment. This report presents a novel 96-well plate design that recirculates the local oxygen environment to shield cells during media changes and facilitates toxicity studies of cells cultured under varying oxygen levels. The principle behind the design is presented and the response of human pancreatic cancer PANC-1 cells treated with tirapazamine and doxorubicin under eight different static or cycling oxygen levels was measured. As expected, tirapazamine is progressively more toxic as oxygen levels decrease but retains some toxicity as oxygen is cycled between hypoxic and normoxic levels. Doxorubicin sensitivity is largely unaffected by changing oxygen levels. This technology is ideal for assessing the effects of oxygen as a variable in toxicity screens.
Safety and efficacy of the mRNA BNT162b2 vaccine against SARS-CoV-2 in five groups of immunocompromised patients and healthy controls in a prospective open-label clinical trial (2021)

Abstract Background Patients with immunocompromised disorders have mainly been excluded from clinical trials of vaccination against COVID-19. Thus, the aim of this prospective clinical trial was to investigate the safety and efficacy after two doses of BNT162b2 mRNA vaccination in five selected groups of immunocompromised patients and healthy controls. Methods 539 study subjects (449 patients and 90 controls) were included in the clinical trial. The patients had either primary (n=90), or secondary immunodeficiency disorders due to human immunodeficiency virus infection (n=90), allogeneic hematopoietic stem cell transplantation/chimeric antigen receptor T cell therapy (n=90), solid organ transplantation (SOT) (n=89), or chronic lymphocytic leukemia (CLL) (n=90). The primary endpoint was seroconversion rate two weeks after the second dose. The secondary endpoints were safety and documented SARS-CoV-2 infection. Findings Adverse events were generally mild, but one case of fatal suspected unexpected serious adverse reaction occurred. 72·2% of the immunocompromised patients seroconverted compared to 100% of the controls (p=0.004). Lowest seroconversion rates were found in the SOT (43·4%) and CLL (63·3%) patient groups with observed negative impact of treatment with mycophenolate mofetil and ibrutinib, respectively. Interpretation The results showed that the mRNA BNT162b2 vaccine was safe in immunocompromised patients. The rate of seroconversion was substantially lower than in healthy controls, with a wide range of rates and antibody titres among predefined patient groups and subgroups. This clinical trial highlights the need for additional vaccine doses in certain immunocompromised patient groups and/or subgroups to improve immunity. Funding Knut and Alice Wallenberg Foundation, Nordstjernan AB, Region Stockholm, Swedish Research Council, Karolinska Institutet, and organizations for PID/CLL-patients in Sweden.