gebhart/patrepeval huggingface dataset:
Computation of some ionization potentials for second-row elements by ab initio and density functional theory methods (1997)

Four ionization potentials of elements from the second row of the periodic table were computed with ab initio (HF, MP2, MP3, MP4, QCISD, G1, G2, and G2MP2) and density functional theory (DFT) (B3LY, B3P86, B3PW91, XALPHA, HFS, HFB, BLYP, BP86, BPW91, BVWN, XAPLY, XAP86, XAPW91, XAVWN, SLYP, SP86, SPW91 and SVWN) methods. In all of the calculations, a large 6-311++G(3df, 3pd) Gaussian-type basis set was used. The computed values were compared to experimental results, and the suitability of these ab initio and DTF methods for computing atomic ionization potentials was discussed. It was found that G2 will produce ionization potentials that are indistinguishable from the experimental values. Hybrid B3LYP and nonlocal BLYP will generate very good ionization potentials. For larger atoms, SLYP and SPW91 will compute ionization potentials that are of G2 quality. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 64: 255–261, 1997
Stance- and Locomotion-Dependent Processing of Vibration-Induced Proprioceptive Inflow From Multiple Muscles in Humans (2006)

We performed a whole-body mapping study of the effect of unilateral muscle vibration, eliciting spindle Ia firing, on the control of standing and walking in humans. During quiet stance, vibration applied to various muscles of the trunk-neck system and of the lower limb elicited a significant tilt in whole body postural orientation. The direction of vibration-induced postural tilt was consistent with a response compensatory for the illusory lengthening of the stimulated muscles. During walking, trunk-neck muscle vibration induced ample deviations of the locomotor trajectory toward the side opposite to the stimulation site. In contrast, no significant modifications of the locomotor trajectory could be detected when vibrating various muscles of the lower as well as upper limb. The absence of correlation between the effects of muscle vibration during walking and standing dismisses the possibility that vibration-induced postural changes can account for the observed deviations of the locomotor trajectory during walking. We conclude that the dissimilar effects of trunk-neck and lower limb muscle vibration during walking and standing reflect a general sensory-motor plan, whereby muscle Ia input is processed according to both the performed task and the body segment from which the sensory inflow arises.
Gain-Scheduled Control: Relaxing Slow Variation Requirements by Velocity-Based Design (2000)

This paper investigates the application of the gain-scheduling approach to flight control tasks where the conditions
required by conventional techniques need not be satisfied. The conditions required by conventional techniques are
progressively relaxed and the design of gain-scheduled controllers under a range of conditions is addressed. In particular,
the paper considers gain-scheduled control design in situations where the vehicle is manoeuvring aggressively far from
equilibrium, the airspeed need not be slowly varying and/or scheduling on the instantaneous incidence angle is required.
The stimulus-secretion coupling of glucose-induced insulin release. Metabolic and functional effects of NH4+ in rat islets. (1978)

A B S T R AC T NH4+ caused a dose-related, rapid, and reversible inhibition of glucose-stimulated insulin release by isolated rat islets. It also inhibited glyceraldehyde-, Ba2+-, and sulfonylurea-stimulated insulin secretion. NH4 failed to affect glucose utilization and oxidation, glucose-stimulated proinsulin biosynthesis, the concentration of ATP, ADP, and AMP, and the intracellular pH. NH4+ also failed to affect the ability oftheophylline and cytochalasin B to augment glucose- induced insulin release. However, in the presence and absence of glucose, accumulation of NH4+ in islet cells was associated with a fall in the concentration ofNADH and NADPH and a concomitant alteration of "Rb+ and 45Ca2+ (or 133Ba2+) handling. These findings suggest that reduced pyridine nucleotides, generated by the metabolism of endogenous or exogenous nutrients, may modulate ionophoretic processes in the islet cells and by doing so, affect the net uptake of Ca2+ and subsequent release of insulin.
An immunofluorescence procedure for the tissue localization of glucosephosphate isomerase. (1980)

Anti-glucosephosphate isomerase antibodies have been used to reveal the presence of the glycolytic and gluconeogenic enzyme, glucosephosphate isomerase (GPI) in mouse tissues by an indirect immunofluorescence technique. The enzyme was localized in 6-micron sections from tissues embedded in paraffin. GPI was observed in the sarcoplasm of skeletal muscle, all hepatocytes of the liver, and in the granulosa cells and oocytes of growing ovarian follicles. The immunofluorescence procedure circumvents the problems associated with the conventional localization of GPI by histochemistry and appears to be a more sensitive procedure for the detection of low concentrations of GPI, as demonstrated by the staining of the ovarian follicles.
Borane-stabilized Boranediyls (Borylenes): Neutral nido-1-Borane-2,3,4,5,6-pentamethyl-2,3,4,5,6-pentacarbahexaboranes(6) (2000)

The reaction of (C5Me5)2Si or (C5Me5)SiMe3 with B2Cl4 leads to the adducts (C5Me5)B→BCl2SiCl3 (5a) or (C5Me5)B→BCl3 (5b), in which the Lewis acids stabilize the boranediyl fragments. Spectroscopic data and X-ray structure analyses confirm the adducts.
Ricostruzione multiplanare 3D di immagini cone beam per lidenficazione della posizione degli impianti cocleari. Studio su ossi temporali e pazienti impiantati (2016)

A retrospective review of post-op cone beam CT (CBCT) of 8 adult patients and 14 fresh temporal bones that underwent cochlear implantation with straight flexible electrodes array was performed to determine if the position of a long and flexible electrodes array within the cochlear scalae could be reliably assessed with CBCT. An oto-radiologist and two otologists examined the images and assessed the electrodes position. The temporal bone specimens underwent histological analysis for confirm the exact position. The position of the electrodes was rated as scala tympani, scala vestibule, or intermediate position for the electrodes at 180°, 360° and for the apical electrode. In the patient group, for the electrodes at 180° all observers agreed for scala tympani position except for 1 evaluation, while a discrepancy in 3 patients both for the 360° and for the apical electrode assessment were found. In five temporal bones the evaluations were in discrepancy for the 180° electrode, while at 360° a disagreement between raters on the scalar positioning was seen in six temporal bones. A higher discrepancy between was found in assessment of the scalar position of the apical electrode (average pairwise agreement 45.4%, Fleiss k = 0.13). A good concordance was found between the histological results and the consensus between raters for the electrodes in the basal turn, while low agreement (Cohen's k 0.31, pairwise agreement 50%) was found in the identification of the apical electrode position confirming the difficulty to correct identify the electrode position in the second cochlear turn in temporal bones. In conclusion, CBCT is a reliable radiologic exam to correctly evaluate the position of a lateral wall flexible array in implanted patients using the proposed imaging reconstruction method, while some artefacts impede exact evaluation of the position of the apical electrode in temporal bone and other radiological techniques should be preferred in ex vivo studies.
New Inhibitor for Mating Reaction of Alexandrium catenella Produced by Marine Alteromomas sp. (1993)

Marine bacteria were screened for mating inhibitor on a toxic dinoflagellate Alexandrium catenella using a hypnozygote (cyst) formation bioassay. A highly active bacterium was cultured, and the cell extract was fractionated by means of heat treatment, DEAE-cellulose chromatography, and gel filtration to obtain a partially purified inhibitor (MIMB). MIMB was characterized as a protein with a molecular weight of more than 700 kDa. MIMB blocked the sexually attaching stage of the mating reaction in A. catenella at an extremely low concentration of 7μg/ml.
Triterpene Functional Genomics in Licorice for Identification of CYP72A154 Involved in the Biosynthesis of Glycyrrhizin   (2011)

Glycyrrhizin, a triterpenoid saponin derived from the underground parts of Glycyrrhiza plants (licorice), has several pharmacological activities and is also used worldwide as a natural sweetener. The biosynthesis of glycyrrhizin involves the initial cyclization of 2,3-oxidosqualene to the triterpene skeleton β-amyrin, followed by a series of oxidative reactions at positions C-11 and C-30, and glycosyl transfers to the C-3 hydroxyl group. We previously reported the identification of a cytochrome P450 monooxygenase (P450) gene encoding β-amyrin 11-oxidase (CYP88D6) as the initial P450 gene in glycyrrhizin biosynthesis. In this study, a second relevant P450 (CYP72A154) was identified and shown to be responsible for C-30 oxidation in the glycyrrhizin pathway. CYP72A154 expressed in an engineered yeast strain that endogenously produces 11-oxo-β-amyrin (a possible biosynthetic intermediate between β-amyrin and glycyrrhizin) catalyzed three sequential oxidation steps at C-30 of 11-oxo-β-amyrin supplied in situ to produce glycyrrhetinic acid, a glycyrrhizin aglycone. Furthermore, CYP72A63 of Medicago truncatula, which has high sequence similarity to CYP72A154, was able to catalyze C-30 oxidation of β-amyrin. These results reveal a function of CYP72A subfamily proteins as triterpene-oxidizing enzymes and provide a genetic tool for engineering the production of glycyrrhizin.
Spinal and Trigeminal Projections to the Parabrachial Nucleus in the Rat: Electron-Microscopic Evidence of a Spino-Ponto-Amygdalian Somatosensory Pathway (1988)

The fine structure of spinal and trigeminal projections to the parabrachial area (PB) of the rat was studied using either the anterograde transport of a lectin-peroxidase conjugate or the degeneration technique. Two morphologically different types of terminals were observed. Most labeled terminals contained round vesicles (R type) and formed asymmetrical synapses, usually with large dendrites. Others contained pleomorphic vesicles (P type) and usually made symmetrical contacts with large or medium-size dendrites. A double-labeling strategy was used, combining the retrograde labeling of PB neurons with lectin-peroxidase conjugate from the amygdala and the identification of degenerating terminals after lesions of spinal or trigeminal pathways. These experiments demonstrated that spinal and trigeminal terminals contact PB neurons that project to the central nucleus of the amygdala. The role of this spino(trigemino)-ponto-amygdalian pathway is discussed in relation to some aspects of pain.
Characterization of an arachidonic acid-deficient (Fads1 knockout) mouse model (2012)

Arachidonic acid (20:4(Δ5,8,11,14), AA)-derived eicosanoids regulate inflammation and promote cancer development. Previous studies have targeted prostaglandin enzymes in an attempt to modulate AA metabolism. However, due to safety concerns surrounding the use of pharmaceutical agents designed to target Ptgs2 (cyclooxygenase 2) and its downstream targets, it is important to identify new targets upstream of Ptgs2. Therefore, we determined the utility of antagonizing tissue AA levels as a novel approach to suppressing AA-derived eicosanoids. Systemic disruption of the Fads1 (Δ5 desaturase) gene reciprocally altered the levels of dihomo-γ-linolenic acid (20:3(Δ8,11,14), DGLA) and AA in mouse tissues, resulting in a profound increase in 1-series-derived and a concurrent decrease in 2-series-derived prostaglandins. The lack of AA-derived eicosanoids, e.g., PGE₂ was associated with perturbed intestinal crypt proliferation, immune cell homeostasis, and a heightened sensitivity to acute inflammatory challenge. In addition, null mice failed to thrive, dying off by 12 weeks of age. Dietary supplementation with AA extended the longevity of null mice to levels comparable to wild-type mice. We propose that this new mouse model will expand our understanding of how AA and its metabolites mediate inflammation and promote malignant transformation, with the eventual goal of identifying new drug targets upstream of Ptgs2.
Subclinical Hypothyroidism and Survival: The Effects of Heart Failure and Race (2013)

Among participants with CHF, subclinical hypothyroidism and hypothyroidism overall are associated with greater death risk. Additional studies are needed to confirm findings and explore possible mechanisms for the differential hypothyroidism-mortality association across race.
A Modified, Event-Related Potential-Based Guilty Knowledge Test (1988)

Subjects chose and pretended to steal one object from a box of nine. They then watched a visual display of verbal representations of objects including their chosen object or one of eight novel objects on each trial. They were told to count one of the novel objects and that although they were welcome to try to beat our test, they would be unable to avoid noticing the chosen object. P3 responses were obtained only to counted and to chosen objects in 7 of 10 subjects not eliminated for artifact or noncooperation.
Synthesis of secretin. IV. Secondary structure in a miniature protein (1969)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis of secretin. IV. Secondary structure in a miniature proteinAgnes Bodanszky, Miguel A. Ondetti, Viktor Mutt, and Miklos BodanszkyCite this: J. Am. Chem. Soc. 1969, 91, 4, 944–949Publication Date (Print):February 1, 1969Publication History Published online1 May 2002Published inissue 1 February 1969https://pubs.acs.org/doi/10.1021/ja01032a026https://doi.org/10.1021/ja01032a026research-articleACS PublicationsRequest reuse permissionsArticle Views81Altmetric-Citations74LEARN 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
Rad51 Uses One Mechanism to Drive DNA Strand Exchange in Both Directions (2000)

The Rad51 protein of Saccharomyces cerevisiae, like its bacterial counterpart RecA, promotes strand exchange between circular single-stranded DNA (ssDNA) and linear double-stranded DNA (dsDNA) in vitro. However, the two proteins differ in the requirement for initiating joint molecules and in the polarity of branch migration. Whereas RecA initiates joint molecules from any type of ends on the dsDNA and branch migration proceeds exclusively in the 5'- to 3'-direction with respect to the single strand DNA substrate, initiation mediated by Rad51 requires a complementary 3' or 5' overhanging end of the linear dsDNA and branch migration proceeds in either direction. Here we report that the rates of Rad51-mediated branch migration in either the 5'- to 3'- or 3'- to 5'-directions are affected to the same extent by temperature and MgCl(2). Furthermore, branch migration in both directions is equally impeded by insertions of non-homologous sequences in the dsDNA, inserts of 6 base pairs or more being completely inhibitory. We have also found that the preference of strand exchange in the 5'- to 3'-direction does not change if RPA is replaced by Escherichia coli SSB or T4 gene 32 proteins, suggesting that the preference for the direction of strand exchange is intrinsic to Rad51. Based on these results, we conclude that Rad51-promoted branch migration in either direction occurs fundamentally by the same mechanism, quite probably by stabilizing successively formed heteroduplex base pair.
Infrared multiple photon dissociation spectroscopy and density functional theory (DFT) studies of protonated permethylated β-cyclodextrin–water non-covalent complexes (2014)

We present infrared multiple photon dissociation (IRMPD) spectroscopy and quantum chemical calculation results for the protonated permethylated β-cyclodextrin (CD)-water non-covalent complex, the simplest β-CD non-covalent complex, in the gas-phase. The IRMPD spectrum in the region 2700-3750 cm(-1) consisted of three strong peaks at 3096, 3315, and 3490 cm(-1). These spectral features in the experimental IRMPD spectrum were compared with a large set of infrared absorption spectra predicted using density functional theory (DFT) calculations for the protonated β-CD-water complex. Complex III (see ), in which the water molecule (at the primary rim) and the proton (at the secondary rim) were separated, was found to suitably reflect the main spectral characteristics found in the experimental IRMPD spectrum. The absence of the homodromic hydrogen bond ring, due to replacement of hydroxyl groups with methoxy groups in permethylated β-CD, rendered the primary rim open compared with the unmodified β-CD 'one-gate-closed' lowest energy conformer. This study demonstrates that IRMPD studies combined with DFT theoretical calculations can be a good method for studying molecular interactions of large host-guest pairs.
Evolution of Languages, Consciousness and Cultures (2007)

The knowledge instinct is a fundamental mechanism of the mind that drives evolution of higher cognitive functions. Neural modeling fields and dynamic logic describe it mathematically and relate to language, concepts, emotions, and behavior. Perception and cognition, consciousness and unconsciousness, are described, while overcoming past mathematical difficulties of modeling intelligence. The two main aspects of the knowledge instinct determining evolution are differentiation and synthesis. Differentiation proceeds from and unconscious states to more crisp and conscious, from less knowledge to more knowledge; it separates concepts from emotions, Its main mechanism is language. Synthesis strives to achieve unity and meaning of knowledge; it is necessary for resolving contradictions, concentrating will and for purposeful actions. Synthesis connects language and cognition. Its main mechanisms are emotionality of languages and the hierarchy of the mind. Differentiation and synthesis are in complex relationship of symbiosis and opposition. This Leads to complex dynamics of evolution of consciousness and languages. Its mathematical modeling predicts evolution of cultures. We discuss existing evidence and future research directions.
Wind turbine acoustic standards (1981)

A program is being conducted to develop noise standards for wind turbines which minimize annoyance and which can be used to design specifications. The approach consists of presenting wind turbine noise stimuli to test subjects in a laboratory listening chamber. The responses of the subjects are recorded for a range of stimuli which encompass the designs, operating conditions, and ambient noise levels of current and future installations. Results to date have established the threshold of detectability for a range of impulsive stimuli of the type associated with blade/tower wake interactions. The status of the ongoing psychoacoustic tests, the subjective data, and the approach to the development of acoustic criteria/standards are described.
A Combinatorial Approach to [1,5]Benzothiazepine Derivatives as Potential Antibacterial Agents (2001)

[1,5]Benzothiazepines are widely used in a number of different therapeutic areas and therefore represent an interesting scaffold for de novo exploration. Recent literature reports suggest their value as antibacterial agents. The present paper reports the exploration of this scaffold for the generation of combinatorial libraries both in solution and on solid phase.
[A clinical study of immunological status in gastric cancer patients--with special reference to T-cell subsets in the lymphocytes of regional lymph nodes]. (1990)

Non-metastatic regional lymph node lymphocytes of 41 patients with gastric cancer were studied by using different monoclonal antibodies and flow cytometry. Used monoclonal antibodies were OKT3 (total T; CD3), OKT4 (helper/inducer T; CD4), OKT8 (suppressor/cytotoxic T; CD8) and Leu11 (NK/K cell; CD16). The results were as follows: 1. The percentage of CD3 cells and CD4 cells were about ten point fewer in lymph nodes than in peripheral blood. 2. CD8 cells were found to be one half or one third lesser in lymph nodes than in peripheral blood. 3. CD16 cells were found to be rare in lymph nodes. 4. The percentage of CD3, CD4 and CD8 cells were higher in distal lymph nodes than proximal ones. 5. The percentage of CD3, CD4 and CD8 cells were not different with progression of the cancer, whereas CD3 cells and CD8 cells were decreased in lymph nodes of stage IV. 6. The percentage of CD8 cells was higher in distal nodes of stage III. Regional lymph nodes are necessary to protect against cancer metastasis, and killer T cells and cytotoxic T cells were fewer in lymph nodes. These results suggested that killer activity and cytotoxicity of the lymph node lymphocytes are inactive and anergy.
Cofactor-specific photochemical function resolved by ultrafast spectroscopy in photosynthetic reaction center crystals (2012)

High-resolution mapping of cofactor-specific photochemistry in photosynthetic reaction centers (RCs) from Rhodobacter sphaeroides was achieved by polarization selective ultrafast spectroscopy in single crystals at cryogenic temperature. By exploiting the fixed orientation of cofactors within crystals, we isolated a single transition within the multicofactor manifold, and elucidated the site-specific photochemical functions of the cofactors associated with the symmetry-related active A and inactive B branches. Transient spectra associated with the initial excited states were found to involve a set of cofactors that differ depending upon whether the monomeric bacteriochlorophylls, BChl(A), BChl(B), or the special pair bacteriochlorophyll dimer, P, was chosen for excitation. Proceeding from these initial excited states, characteristic photochemical functions were resolved. Specifically, our measurements provide direct evidence for an alternative charge separation pathway initiated by excitation of BChl(A) that does not involve P*. Conversely, the initial excited state produced by excitation of BChl(B) was found to decay by energy transfer to P. A clear sequential kinetic resolution of BChl(A) and the A-side bacteriopheophytin, BPh(A), in the electron transfer proceeding from P* was achieved. These experiments demonstrate the opportunity to resolve photochemical function of individual cofactors within the multicofactor RC complexes using single crystal spectroscopy.
Impact of polarity control and related defects on the electrical properties of GaN grown by MOVPE (2007)

Abstract By controlling the LT‐AlN nucleation layer, we have demonstrated growth of Ga‐ and N‐polar GaN thin films with identical growth rates on c‐plane sapphire via MOVPE. The Ga‐polar films were highly resistive, while N‐polar films exhibited n‐type conductivity. Under certain nucleation layer processing conditions, the GaN films were mixed‐polar. Using specular X‐ray reflectivity to calculate the density depth profile of the nucleation layers, we identified one mechanism during the processing evolution of the nucleation layer that could give rise to inversion domains within the film, giving raise to mixed‐polar GaN films. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)