gebhart/patrepeval huggingface dataset:
Structure of the Boronic Acid Dimer and the Relative Stabilities of Its Conformers (2006)

Despite the widespread use of boronic acids in materials science and as pharmaceutical agents, many aspects of their structure and reactivity are not well understood. In this research the boronic acid dimer, [HB(OH)(2)](2), was studied by second-order Møller-Plesset (MP2) perturbation theory and coupled cluster methodology with single and double excitations (CCSD). Pople split-valence 6-31+G*, 6-311G**, and 6-311++G** and Dunning-Woon correlation-consistent cc-pVDZ, aug-cc-pVDZ, cc-pVTZ, and aug-cc-pVTZ basis sets were employed for the calculations. A doubly hydrogen-bonded conformer (1) of the dimer was consistently found to be lowest in energy; the structure of 1 was planar (C(2h)) at most computational levels employed but was significantly nonplanar (C(2)) at the MP2/6-311++G** and CCSD/6-311++G** levels, the result of an intrinsic problem with Pople-type sp-diffuse basis functions on heavy atoms. The dimerization energy, enthalpy, and free energy for the formation of (1) from the exo-endo conformer of the monomer were -10.8, -9.2, and +1.2 kcal/mol, respectively, at the MP2/aug-cc-pVTZ level. Several other hydrogen-bonded conformers of the dimer were local minima on the potential energy surface (PES) and ranged from 2 to 5 kcal/mol higher in energy than 1. Nine doubly OH-bridged conformers, in which the boron atoms were tetracoordinated, were also local minima on the PES, but they were all greater than 13 kcal/mol higher in energy than 1; doubly H-bridged structures proved to be transition states. MP2 and CCSD results were compared to those from the BLYP, B3LYP, OLYP, O3LYP, PBE1PBE, and TPSS functionals with the 6-311++G** and aug-cc-pVTZ basis sets; the PBE1PBE functional performed best relative to the MP2 and CCSD results. Self-consistent reaction field (SCRF) calculations predict that boronic acid dimerization is less favorable in solution than in vacuo.
REVIEWS Catalogue of Printed Music published before 1801 now in the British Museum. Second Supplement. By SmithWilliam C.. British Museum, 1940. 8vo. Pp. iv+85, 6 <i>s</i> . (1940)

REVIEWS Get access Catalogue of Printed Music published before 1801 now in the British Museum. Second Supplement. By William C. Smith. British Museum, 1940. 8vo. Pp. iv+85, 6s. HUMPHREY CLAYDON HUMPHREY CLAYDON Search for other works by this author on: Oxford Academic Google Scholar The Library, Volume s4-XXI, Issue 2, September 1940, Pages 223-b–225, https://doi.org/10.1093/library/s4-XXI.2.223-b Published: 01 September 1940
Supercritical CO2 Extraction and Fractionation of Lavender Essential Oil and Waxes (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSupercritical CO2 Extraction and Fractionation of Lavender Essential Oil and WaxesE. Reverchon, G. Della Porta, and F. SenatoreCite this: J. Agric. Food Chem. 1995, 43, 6, 1654–1658Publication Date (Print):June 1, 1995Publication History Published online1 May 2002Published inissue 1 June 1995https://pubs.acs.org/doi/10.1021/jf00054a045https://doi.org/10.1021/jf00054a045research-articleACS PublicationsRequest reuse permissionsArticle Views2293Altmetric-Citations124LEARN 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
Management of Type IIb Dyslipidemia (2011)

Although the Japan Atherosclerosis Society guideline for the diagnosis and prevention of atherosclerosis cardiovascular diseases for the Japanese population provides targets for low-density lipoprotein (LDL) cholesterol, triglycerides, and high-density lipoprotein (HDL) cholesterol to prevent cardiovascular disease in patients with dyslipidemia, there is no guideline specifically targeting the treatment of type IIb dyslipidemia, which is one of the most common types of dyslipidemia, along with type IIa and type IV dyslipidemia. Type IIb dyslipidemia is important because it sometimes accompanies atherogenic lipid profiles, such as small, dense LDL, remnants, low HDL cholesterolemia. It is also associated with type 2 diabetes mellitus, metabolic syndrome, and chronic kidney disease (CKD), and most patients with familial combined hyperlipidemia (FCHL) show this phenotype; therefore, it is assumed that patients with type IIb dyslipidemia have a high risk for cardiovascular disease. Thus, the management of type IIb dyslipidemia is very important for the prevention of cardiovascular disease, so we have attempted to provide a guideline for the management of type IIb dyslipidemia.
Synthesis, Structure, and Catalytic Activity of Tridentate, Base‐Functionalized β‐Ketiminate Zinc Complexes in Ring‐Opening Polymerization of Lactide (2014)

Abstract Zinc complexes [LZnR] containing tridentate β‐ketiminate ligands with an additional side‐arm donor {referred to as [NNO] ligands; L = L 1 = OC(Me)C(H)C(Me)NCH 2 CH 2 CH 2 NMe 2 , R = Me ( 1 ), Et ( 2 ), Cl ( 3 ); L = L 2 = OC(Me)C(H)C(Me)NCH 2 CH 2 NMe 2 , R = Me ( 6 ), Et ( 7 ), Cl ( 9 )} as well as cationic derivatives with a weakly coordinating anion [LZn][Al(OC(CF 3 ) 3 ) 4 ] [L = L 1 ( 4 ), L = L 2 = ( 10 )], a base‐stabilized complex [ L 2 Zn(dmap)Et] ( 8 ; dmap = 4‐(dimethylamino)pyridine), and a base‐free complex without a side‐arm donor [ L 3 ZnEt] [ 12 , L 3 = OC(Me)C(H)C(Me)N‐2,6‐ i Pr 2 C 6 H 3 ] were synthesized and characterized by single‐crystal X‐ray diffraction ( 1 , 2 , 3 , 8 , 9 , 11 , and 12 ). The ring‐opening polymerization (ROP) of rac ‐lactide was studied with the zinc complexes 1 – 4 , 6 – 10 and 12 , mixtures of 7 and Lewis bases [ 7 /1,8‐diazabicycloundec‐7‐ene ( 7 /DBU; 15 ), 7 / t BuPy ( 16 )], and 12 /DBU ( 17 ). Lithium‐β‐ketiminates L 1 Li ( 5 ), L 2 Li ( 11 ), DBU ( 13 ), and a mixture of L 2 Li/DBU ( 14 ) were also investigated. All compounds except for 3 , 4 , 10 , and 12 are active rac ‐lactide polymerization catalysts by a slightly modified activated‐monomer mechanism. The catalytic activity of the complexes in rac ‐lactide polymerization reactions at ambient temperature increases with the addition of Lewis bases to the β‐ketiminate zinc compounds. The highest activity was found for the mixture 7 /DBU ( 15 ), which converted 200 equiv. of rac ‐lactide into polylactide within 1.5 min at ambient temperature.
A study of the electrical properties of single-crystal and polycrystalline β-alumina using complex plane analysis (1977)

The single-crystal material has a resistivity at 300 degrees C of 4.7 Omega cm and an activation energy of 0.13 eV. In the polycrystalline case it has been possible to separate out the bulk and grain boundary contributions to the total electrolyte resistance. These have activation energies of 0.15 and 0.26 eV respectively. The grain boundary or intergranular contribution becomes negligible above 200 degrees C and the sample resistivity at 300 degrees C is 15.4 Omega cm. The resistivity results obtained were independent of the electrode material used although this did affect the measured interfacial capacitance.
Properties of Rat Tracheal Epithelial Cells Separated Based on Expression of Cell Surface <i>α</i> -Galactosyl End Groups (1991)

We used Griffonia (bandeiraea) simplicifolia I (GS I) lectin and flow cytometry to isolate subsets of rat tracheal epithelial cells based on the presence or absence of cell surface alpha-galactosyl end groups. These fractions were designated GS I-positive and -negative, respectively. Ninety-eight percent of the cells in the GS I-positive fraction expressed cell surface alpha-galactosyl end groups; 95% had immunocytochemically detectable keratin 14-related protein (a basal cell marker) and 98% lacked alcian blue-periodic acid-Schiff (AB-PAS)-stained cytoplasmic granules. More than 90% of the GS I-positive cells had a high nuclear-to-cytoplasm ratio, had tonofilaments, and lacked organelles characteristic of other differentiated cell types; they were thus classified as basal cells. In bioassays, the GS I-positive fraction had a colony-forming efficiency greater than or equal to that of native tracheal cell suspensions, and the cells were able to repopulate denuded tracheal grafts with ciliated, secretory, and basal cells. More than 99% of the cells in the GS I-negative fraction lacked cell surface alpha-galactosyl end groups, 98% did not stain for keratin 14-related protein, 54% had significant numbers of AB-PAS-stained cytoplasmic granules, and 16% were identified as ciliated cells. The GS I-negative fraction had a lower colony-forming efficiency than the GS I-positive fraction but, it too, was able to repopulate denuded tracheal grafts with a complete mucociliary epithelium. These results show that both GS I-positive and -negative cells had the potential to proliferate and differentiate into the major tracheal cell types.
Noninvasive assessment of cardiac performance by impedance cardiography: disagreement between two equations to estimate stroke volume. (1988)

Impedance cardiography, phonocardiography, and ECG were registered prior to, during, and after 10 min of gradual passive upright tilt in 35 normal male subjects. Stroke volume (SV) was estimated according to both the standard equation of Kubicek et al. and a newly introduced equation by Sramek et al. Sramek's equation estimated larger SV values throughout. It furthermore estimated a larger SV response to upright tilt: a bias of -17 ml (95% Cl: -20 to -13) was identified for Sramek's minus Kubicek's approach. Corresponding disagreement was identified for cardiac output and systemic vascular resistance derived from SV. A far better agreement was identified when the data were expressed as percent of the supine base line prior to tilt. Under such transformation, Sramek's approach estimated slightly smaller SV responses to tilt: a bias of 4.2% (95% Cl: 3.6 to 4.7) was identified for the percent response of SV to upright tilt for Sramek's minus Kubicek's equation. Data generated by these two equations are, nevertheless, not readily interchangeable nor comparable. As Sramek's equation estimated consistently larger SV values than Kubicek's equation, it is unlikely that Sramek's equation could solve the issue of the quantitative inaccuracy which remains intrinsic to the usage of Kubicek's equation in impedance cardiography.
A multi-level pattern matching method for text image parsing (2002)

A multiple-level pattern matching approach to text image parsing is described. The parser assigns syntactic categories to words that occur in a two-dimensional image of a constrained block of text. Bottom-up information (from an image segmentation routine), that includes the number of lines of text, the number of words in each line, and an estimate of the number of characters in each word, is initially used to compute a ranked list of categories for each word and a probability that each one is correct. The local support provided by words that are horizontally adjacent is used to refine the initial assignment and to assign a ranked list of categories to each line. The word and line category assignments are then probabilistically fit to patterns that describe allowable configurations of lines. The output is a ranked list of the patterns that fit best and the probabilities that they are correct. A success rate of up to 96 percent is achieved in classifying lines of text in a test set of postal address images.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Abasic pivot substitution harnesses target specificity of RNA interference (2015)

Gene silencing via RNA interference inadvertently represses hundreds of off-target transcripts. Because small interfering RNAs (siRNAs) can function as microRNAs, avoiding miRNA-like off-target repression is a major challenge. Functional miRNA-target interactions are known to pre-require transitional nucleation, base pairs from position 2 to the pivot (position 6). Here, by substituting nucleotide in pivot with abasic spacers, which prevent base pairing and alleviate steric hindrance, we eliminate miRNA-like off-target repression while preserving on-target activity at ∼ 80-100%. Specifically, miR-124 containing dSpacer pivot substitution (6pi) loses seed-mediated transcriptome-wide target interactions, repression activity and biological function, whereas other conventional modifications are ineffective. Application of 6pi allows PCSK9 siRNA to efficiently lower plasma cholesterol concentration in vivo, and abolish potentially deleterious off-target phenotypes. The smallest spacer, C3, also shows the same improvement in target specificity. Abasic pivot substitution serves as a general means to harness the specificity of siRNA experiments and therapeutic applications.
Somatic <i>BRAF-V600E</i> Mutations in Familial Colorectal Cancer (2006)

The BRAF gene is mutated in 4% to 12% of unselected colorectal cancers, particularly those with high microsatellite instability and in premalignant lesions, such as serrated adenomas and hyperplastic polyps. However, it has been shown that activating BRAF mutations are almost never found in tumors from hereditary nonpolyposis colorectal cancer patients. To evaluate the role of oncogenic BRAF mutations in non-hereditary nonpolyposis colorectal cancer/non-familial adenomatous polyposis familial colorectal cancer, we did a mutation screening of the most common BRAF mutation, the V600E mutation, in 194 colorectal tumors from patients with a positive family history of the disease. The BRAF-V600E mutation was identified in 100% (8 of 8) of microsatellite-unstable tumors and in 9.7% (18 of 186) of microsatellite-stable tumors. Interestingly, families with extracolonic tumors showed a much higher mutation frequency (17.5%) compared with families with colonic cancer only (3.5%; P = 0.009). In addition, we studied colonoscopic results from 448 family members who had been under colonoscopic surveillance for several years. Subjects from families where the V600E mutation was identified had less adenomas compared with those from families where no BRAF mutation had been found (odds ratio, 8.5; 95% confidence interval, 1.1-64.6). These findings indicate that adenomas might be less important in the cancer development in the group of families with BRAF-V600E mutations and indirectly support a previous hypothesis that tumors might develop through the hyperplastic polyp-serrated adenoma pathway. In conclusion, our results suggest that BRAF-V600E mutations are mainly involved in colorectal cancer families characterized by an increased risk of other common malignancies.
Syndecan-1 Expression Is Induced in the Stroma of Infiltrating Breast Carcinoma (1999)

Loss of expression of the heparan sulfate proteoglycan syndecan-1 leads to reduced cell adhesion, increased invasive potential, and dysregulated growth of mammary epithelial cells in vitro. We compared syndecan-1 expression in malignant and nonmalignant breast tissues using immunohisto-chemistry with monoclonal antibody B-B4. Staining for syndecan-1 is greatly diminished on malignant cells within infiltrating ductal carcinomas (n = 20) as compared with ductal epithelium of both normal breast (n = 14) and stromal-epithelial neoplasms (n = 10), which exhibit extensive basolateral epithelial staining. Surprisingly, comparison of malignant and nonmalignant breast tissue also reveals a striking difference in expression of syndecan-1 within the stromal compartment. In infiltrating ductal carcinomas, strong staining for syndecan-1 is present both within the connective tissue and on stromal cell surfaces, whereas syndecan-1 expression is absent in the stroma of both normal breast and stromal-epithelial neoplasms. Because syndecan-1 interacts with heparin-binding growth factors such as FGF-2, accumulation of syndecan-1 within the tumor stroma may contribute to the extensive angiogenesis and stromal proliferation characteristic of infiltrating breast carcinoma. Moreover, the induction of syndecan-1 within the stroma, coupled with the loss of syndecan-1 on malignant cells, suggests that changes in syndecan-1 expression are critical in promoting the metastatic phenotype of infiltrating ductal carcinoma of the breast.
C2C12 Co‐culture on a fibroblast substratum enables sustained survival of contractile, highly differentiated myotubes with peripheral nuclei and adult fast myosin expression (2004)

We describe a simple culture method for obtaining highly differentiated clonal C2C12 myotubes using a feeder layer of confluent fibroblasts, and document the expression of contractile protein expression and aspects of myofibre morphology using this system. Traditional culture methods using collagen- or laminin-coated tissue-culture plastic typically results in a cyclic pattern of detachment and reformation of myotubes, rarely producing myotubes of a mature adult phenotype. C2C12 co-culture on a fibroblast substratum facilitates the sustained culture of contractile myotubes, resulting in a mature sarcomeric register with evidence for peripherally migrating nuclei. Immunoblot analysis demonstrates that desmin, tropomyosin, sarcomeric actin, alpha-actinin-2 and slow myosin are detected throughout myogenic differentiation, whereas adult fast myosin heavy chain isoforms, members of the dystrophin-associated complex, and alpha-actinin-3 are not expressed at significant levels until >6 days of differentiation, coincident with the onset of contractile activity. Electrical stimulation of mature myotubes reveals typical and reproducible calcium transients, demonstrating functional maturation with respect to calcium handling proteins. Immunocytochemical staining demonstrates a well-defined sarcomeric register throughout the majority of myotubes (70-80%) and a striated staining pattern is observed for desmin, indicating alignment of the intermediate filament network with the sarcomeric register. We report that culture volume affects the fusion index and rate of sarcomeric development in developing myotubes and propose that a fibroblast feeder layer provides an elastic substratum to support contractile activity and likely secretes growth factors and extracellular matrix proteins that assist myotube development.
Role of the thymus in directing the development of a subset of B lymphocytes. (1982)

In an effort to evaluate the role of the thymus in influencing the development of Lyb-5- B lymphocytes, mice expressing both the xid and nu gene defects were studied. Mice expressing either of these defects respond to both trinitrophenylated Brucellus abortus and lipopolysaccharide; whereas mice with the combined defect show markedly suppressed responses. The other abnormalities included: (a) greater than 80 percent diminution of serum Ig levels; (b) significant increase in the number of sIgM+ sIgD- B lymphocytes; (c) reduced expression of IgD on sIgD+ cells; and (d) a strikingly abnormal histology of their lymphoid tissue. Because nu/nu mice that do not express the xid defect appear relatively normal, it would suggest that the development of Lyb-5- B lymphocytes require a thymic influence for normal maturation, whereas, Lyb-5+ B lymphocytes are relatively independent of such influences.
A chip assisted immunomagnetic separation system for the efficient capture and in situ identification of circulating tumor cells (2016)

The detection of circulating tumor cells (CTCs), a kind of "liquid biopsy", represents a potential alternative to noninvasive detection, characterization and monitoring of carcinoma. Many previous studies have shown that the number of CTCs has a significant relationship with the stage of cancer. However, CTC enrichment and detection remain notoriously difficult because they are extremely rare in the bloodstream. Herein, aided by a microfluidic device, an immunomagnetic separation system was applied to efficiently capture and in situ identify circulating tumor cells. Magnetic nanospheres (MNs) were modified with an anti-epithelial-cell-adhesion-molecule (anti-EpCAM) antibody to fabricate immunomagnetic nanospheres (IMNs). IMNs were then loaded into the magnetic field controllable microfluidic chip to form uniform IMN patterns. The IMN patterns maintained good stability during the whole processes including enrichment, washing and identification. Apart from its simple manufacture process, the obtained microfluidic device was capable of capturing CTCs from the bloodstream with an efficiency higher than 94%. The captured cells could be directly visualized with an inverted fluorescence microscope in situ by immunocytochemistry (ICC) identification, which decreased cell loss effectively. Besides that, the CTCs could be recovered completely just by PBS washing after removal of the permanent magnets. It was observed that all the processes showed negligible influence on cell viability (viability up to 93%) and that the captured cells could be re-cultured for more than 5 passages after release without disassociating IMNs. In addition, the device was applied to clinical samples and almost all the samples from patients showed positive results, which suggests it could serve as a valuable tool for CTC enrichment and detection in the clinic.
Carotenoids in Algae: Distributions, Biosyntheses and Functions (2011)

For photosynthesis, phototrophic organisms necessarily synthesize not only chlorophylls but also carotenoids. Many kinds of carotenoids are found in algae and, recently, taxonomic studies of algae have been developed. In this review, the relationship between the distribution of carotenoids and the phylogeny of oxygenic phototrophs in sea and fresh water, including cyanobacteria, red algae, brown algae and green algae, is summarized. These phototrophs contain division- or class-specific carotenoids, such as fucoxanthin, peridinin and siphonaxanthin. The distribution of α-carotene and its derivatives, such as lutein, loroxanthin and siphonaxanthin, are limited to divisions of Rhodophyta (macrophytic type), Cryptophyta, Euglenophyta, Chlorarachniophyta and Chlorophyta. In addition, carotenogenesis pathways are discussed based on the chemical structures of carotenoids and known characteristics of carotenogenesis enzymes in other organisms; genes and enzymes for carotenogenesis in algae are not yet known. Most carotenoids bind to membrane-bound pigment-protein complexes, such as reaction center, light-harvesting and cytochrome b(6)f complexes. Water-soluble peridinin-chlorophyll a-protein (PCP) and orange carotenoid protein (OCP) are also established. Some functions of carotenoids in photosynthesis are also briefly summarized.
Multiphysics Analysis of Automotive PMaSynRM (2019)

The purpose of a Multiphysics Analysis is the modeling of complex physical systems where different kinds of physical effects act simultaneously. We would like to predict the behavior of a machine with the least number of neglected effects. Nowadays more Finite Element Method (FEM) based simulation software are readily available to study the physics of an electrical machine. Although, there are no standardized solutions that would fit every kind of electric motor analysis. In this paper we will present a method how to go through step-by-step on the different physical phenomena of an electrical machine and therefore analyze the different design and working aspects.