gebhart/patrepeval huggingface dataset:
Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution (2003)

Cyclosporins are cyclic undecapeptides of fungal origin the best known of which, CsA, is a lead clinical immunosuppressant; CsG is a potential clinical immunosuppressant differing from CsA in residue 2 (L-alpha-amino-butyric acid in CsA, L-norvaline in CsG); and CsH is an inverse formyl peptide receptor agonist, differing from CsA in the chiral inversion of MeVal-11 from L to D. Crystal structure determinations of CsG and CsH were undertaken to identify structural and surface features important for biological activity and the future design of new cyclosporin derivatives. Ultra-high resolution X-ray structures (0.80 to 0.87 A resolution) determined for two crystal forms of both CsH and CsG in the presence and absence of Mg2+ are described. A major outcome of this study is the observation that the local change in chirality between CsA and CsH is associated with a major structural transformation from open beta-sheet in CsA to a highly convoluted conformation in CsH. CsG also possesses a completely novel cloverleaf motif with no H-bonded secondary structure features in spite of the minimal chemical difference with CsA. Unlike CsA, the structures of both CsH and CsG are heavily solvated. This study therefore shows that the chemical differences between the three cyclosporins, CsA, CsG and CsH can invoke unpredictably major differences in their 3D structures. The 9-11 cis-peptide bond in CsA moves to 11-1 in CsG, influencing the overall molecular conformation, while the peptide bonds in the highly convoluted loop conformation of CsH are all trans.
ChemInform Abstract: Palladium Catalyzed Polyhetero‐Claisen Rearrangement of 3‐Allylthio‐1,2,4‐triazin‐5(2H)‐ones. (1984)

Abstract Die Allylthio‐triazinone (I) werden in Gegenwart des Palladium‐ Komplexes (II) zu den N‐Allyl‐Derivaten (III) und (IV) umgelagert, die in Gegenwart von Säuren zu den Thiazolotriazinonen (V) bzw. (VI) cyclisieren.
2P1-I18 Study on Volume Feedback System for Violin Playing Robot (2008)

This study aims at developing a violin playing robot that is able to produce expressive sounds. This will lead us to understanding human Kansei. In this paper, we describe a volume feedback system for an anthropomorphic violin playing robot with 7 D.O.F., which we have been developing. This system imitates the human procedure to improve their playing musical instruments, which is affected by human Kansei. We analyzed the relationship between bow speed and volume of the sound produced by the robot. Then, we constructed an algorithm for estimating bow speed needed to produce indicated volume sounds. We confirmed that the robot was able to produce sounds with indicated volume using the algorithm.
Evaluating CNS Biomarkers for Alzheimer's Disease (2001)

There is a need for a biomarker, or set of biomarkers, that would quickly and accurately diagnose Alzheimer's disease and circumvent the current practice of expensive and time-consuming testing. The search for biomarkers builds upon advances in understanding the biology of Alzheimer's disease, and ranges from uncovering genetic risk factors to documenting the pathology of Alzheimer's disease and describing the resultant molecular and biochemical changes that result from the Alzheimer's disease process. This chapter develops a three-tiered concept of biomarkers: biological correlates, diagnostic correlates, and surrogate markers.
Atomistic Structure of Mineral Nano-aggregates from Simulated Compaction and Dewatering (2017)

The porosity of clay aggregates is an important property governing chemical reactions and fluid flow in low-permeability geologic formations and clay-based engineered barrier systems. Pore spaces in clays include interlayer and interparticle pores. Under compaction and dewatering, the size and geometry of such pore spaces may vary significantly (sub-nanometer to microns) depending on ambient physical and chemical conditions. Here we report a molecular dynamics simulation method to construct a complex and realistic clay-like nanoparticle aggregate with interparticle pores and grain boundaries. The model structure is then used to investigate the effect of dewatering and water content on micro-porosity of the aggregates. The results suggest that slow dewatering would create more compact aggregates compared to fast dewatering. Furthermore, the amount of water present in the aggregates strongly affects the particle-particle interactions and hence the aggregate structure. Detailed analyses of particle-particle and water-particle interactions provide a molecular-scale view of porosity and texture development of the aggregates. The simulation method developed here may also aid in modeling the synthesis of nanostructured materials through self-assembly of nanoparticles.
Fermentation ofCandida utilis for uricase production (1990)

Conditions for the production of microbial uricase by Candida utilis were studied. For the selected strain, hypoxanthine proved to be the most effective inducer of uricase formation. The highest values of biomass as well as nricase activity in the mechanically agitated fermentor were obtained under the following conditions: 50 h, rotation impeller speed 7 s 1, air flow rate 1.25 x 10 5 m3s-1, concentration of inducer 0.1 ~.
Research on life cycle CO<sub>2</sub> emissions of energy carriers in China (2014)

The purpose of this study is to determine the life cycle CO2 emissions for the production and distribution of energy carriers in China. The mathematical method of input–output analysis was used to model the complicated materials flows between different energy industries. The results show that, for providing 1 GJ fuels, coking products have the largest CO2 emission, followed by oil products, middling coal, cleaned coal, natural gas and crude oil, and raw coal. The results also show that the theory and mathematical model of input–output analysis are more proper for energy carriers than traditional inventory calculation models. The comparison between China and Japan indicates that the life cycle CO2 emissions of energy carriers produced in China are higher than developed level; therefore there is CO2 mitigation potential for China’s energy industries.
Complexes and cations supported on the surface and between the layers of zirconium phosphate. 1. Copper(II) and its ammonia complexes (1982)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTComplexes and cations supported on the surface and between the layers of zirconium phosphate. 1. Copper(II) and its ammonia complexesAbraham Clearfield and Laura R. QuayleCite this: Inorg. Chem. 1982, 21, 12, 4197–4204Publication Date (Print):December 1, 1982Publication History Published online1 May 2002Published inissue 1 December 1982https://doi.org/10.1021/ic00142a017Request reuse permissionsArticle Views100Altmetric-Citations12LEARN 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 (918 KB) Get e-Alertsclose Get e-Alerts
Observation of Second Decay Chain from <sup>278</sup>113 (2007)

RIKEN (The Institute of Physical and Chemical Research), Wako, Saitama 351-0198 Department of Physics, Saitama University, Saitama 338-8570 Center for Instrumental Analysis, Niigata University, Niigata 950-2181 Center for Nuclear Study, University of Tokyo, Wako, Saitama 351-0198 Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 Department of Chemistry, Niigata University, Niigata 950-2181 University of Tsukuba, Tsukuba, Ibaraki 305-8571 Department of Physics, Tohoku University, Sendai 980-8578 Department of Physics, Yamagata University, Yamagata 990-8560
Synthese und Strukturbestimmung von bicyclischem [Li(tmeda)]<sub>2</sub>[S<sub>6</sub>] (1990)

Ein Li 2 S 6 ‐Bicyclus vom [4.1.1]‐Typ ist das wichtigste Strukturmerkmal der Titelverbindung 1 . Dieser „Kern”︁ ist in der Abbildung rechts dargestellt; die beiden Tetramethylethylendiamin‐Liganden sind nur angedeutet. Derartige Strukturen kennt man weder bei anderen Alkalimetall‐ und Erdalkalimetall‐ noch bei Übergangsmetallpolysulfiden. magnified image
Highly Regioselective Addition of Allylic Zinc Halides and Various Zinc Enolates to [1.1.1]Propellane (2020)

We report a range of highly regioselective openings of [1.1.1]propellane with various allylic zinc halides, as well as zinc enolates of ketones, esters and nitriles. The resulting zincated bicyclopentanes (BCPs) were trapped with a range of electrophiles including acyl chlorides, sulfonothioates, hydroxylamino benzoates, tosyl cyanide as well as aryl and allyl halides, generating highly functionalized BCP-derivatives. The unusually high regioselectivity of these reactions has been rationalized using DFT calculations. A bioisostere of the synthetic opioid pethidine was prepared in 95 % yield in one step using this method.
Folding Polygons to Polyhedra (2007)

Was first explicitly posed in 1996 (Lubiw and O'Rourke 1996).Here we mean fold without overlap (in constrast to the wrapping permitted in Theorem15.2.1, p. 236) and of course without leaving gaps. We have seen in Section 23.3 (p. 348) that Alexandrov's Theorem provides an answer: whenever a polygon has an Alexandrov gluing. (Recall that, in this context, a “polyhedron” could be a flat, doubly covered polygon.) This then reorients the question to
ChemInform Abstract: 2‐Bromo‐5‐iodo‐hydroquinone and Its Symmetrical and Unsymmetrical Dialkylethers. (1999)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Analytical and experimental evaluation of an optical fiber ocean mass simulator (1994)

High-power blue green laser systems are utilized for analyzing ocean parameters and searching for underwater objects. Testing in surveying missions using such systems is time-consuming and expensive. Therefore, an experimental ocean mass simulator is needed to test and perfect new approaches for underwater detection. This simulator must include water effects of attenuation, absorption, and scattering on the transmitted optical pulse. By examining equations and experimental data relating the backscattered signal from optical fiber and from water, correlations are found which qualify the fiber as an efficient ocean mass simulator.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
ChemInform Abstract: First Example of a Total Axial to Centered Chirality Transfer in the [2 + 2 + 2] Cycloadditions of Allenediynes. (2000)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Extracorporeal Life Support (2000)

The University of Michigan experience with extracorporeal life support (ECLS) in 1000 consecutive patients between 1980 and 1998 is the largest series at one institution in the world. Among this patient population, survival to hospital discharge in moribund patients with respiratory failure was 88% in 586 neonates, 70% in 132 children, and 56% in 146 adults. Survival in moribund patients with cardiac failure was 48% in 105 children and 33% in 31 adults. This article describes the University of Michigan's overall ECLS patient experience, the progression of ECLS from laboratory experiments to clinical application at the bedside, the expansion of the technology to other centers, and current ECLS technology and outcomes. Despite the challenges faced in clinical research in this field, our experience and that of others has shown that ECLS saves lives of patients with acute cardiac or pulmonary failure in a variety of clinical settings.
Oxidation of chromium(II) by hydroxylamine-O-sulfonic acid (1988)

When hexaaquochromium(II) reacts with hydroxylamine-O-sulfonic acid (HSA) in acidic media, the major product of the reaction is CrNH{sub 3}{sup 3+} rather than the expected CrSO{sub 4}{sup +} or Cr{sup 3+}. Stoichiometric studies indicate that two moles of Cr{sup 2+} are consumed per mole of HSA. The rate law for the reaction is {minus}d(Cr{sup 2+})/2dt = {minus}d(HSA)/dt = k{sub 0} + k{sub 1} (Cr{sup 2+})(HSA) with k{sub 0} = 0.2 s{sup {minus}1} and k{sub 1} = 9.7 M{sup {minus}1}s{sup {minus}1}. 7 refs.
Is human reliability relevant to human factors? (2009)

This paper presents a number of views from a panel discussion on the relationship between human reliability analysis (HRA) and human factors.HRA emerged concurrently with the field of human factors and now features a nearly fifty-year shared history.While built on human factors, HRA distinguished itself early on from human factors due to its emphasis on predicting human performance.While one of the major focus areas of human factors has been improving the design of novel systems to optimize human performance, HRA has largely focused on predicting human performance for as-built systems.Over time, as HRA became closely tied particularly to the nuclear energy industry, it increasingly became a field associated more with reliability engineering than human factors.Yet, the similarity to human factors has not abated, nor has the opportunity for the two fields to cooperate.Human factors research provides the empirical basis to support predicting human performance in HRA.Importantly, HRA continues to benefit human factors by providing: (1) a framework for modeling human performance, (2) an example of how a human factors discipline can be seamlessly integrated with an engineering field, and (3) insights on how predictive modeling may be used as a system design tool.
[Radionuclide bone scanning in patients with breast carcinoma. Study of lesions by stages, locations and diagnostic assessment]. (1998)

The aim of this study was to evaluate the diagnostic role of bone scan in patients with breast carcinoma. With this purpose, we have studied 591 patients (4 males). In 261 of them, we were able to establish the stage of disease: 33 in stage I, 137 in stage II, 71 in stage III y 20 in stage IV. Metastatic lesions were detected in 6% of patients in stage I, 8.8% in stage II, 12.7% in stage III y 50% in stage IV. Altogether, 71 from 591 patients (12%) had metastatic lesions. In 4 patients (5.3%) we obtained a false positive result. The bone lesions found in the scintigraphic studies were classified as not metastatic lesions in 236 patients (39.9%) but 26 of them were malignant (11%). Another 193 patients (32.6%) presented scintigraphic studies considered as equivocal for metastasis and 33 of them were also malignant (17%). In 150 patients scintigraphic studies did not present lesions during the follow up. In other 156 patients isolated lesions were detected and 24 of them (15.4%) were malignant. Only 4 <<cold>> lesions were detected and not any <<superscan>> image was observed in this study.
Total synthesis of .DELTA.8-(.DELTA.1(6)-tetrahydrocannabinol, a biologically active constituent of hashish (marijuana) (1967)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTotal synthesis of .DELTA.8-(.DELTA.1(6)-tetrahydrocannabinol, a biologically active constituent of hashish (marijuana)Timothy Y. Jen, Gordon Alan. Hughes, and Herchel. SmithCite this: J. Am. Chem. Soc. 1967, 89, 17, 4551–4552Publication Date (Print):August 1, 1967Publication History Published online1 May 2002Published inissue 1 August 1967https://pubs.acs.org/doi/10.1021/ja00993a071https://doi.org/10.1021/ja00993a071research-articleACS PublicationsRequest reuse permissionsArticle Views365Altmetric-Citations14LEARN 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
Surface antigens from Escherichia coli O2 and O78 strains of avian origin (1990)

Fimbriae from O2 and O78 virulent strains of avian Escherichia coli were compared with type 1A fimbriae with regard to the apparent molecular weights of their subunits and their antigenic relationships. Under static broth culture conditions, most O78 strains expressed fimbriae closely related to those of type 1A. Under the same culture conditions, another type of fimbriae, sharing some common properties with type 1A fimbriae, was observed only on O2 strains; however, these fimbriae differed from type 1A fimbriae in the apparent molecular weights of their subunits and in the expression of specific epitopes. They were called type 1-like fimbriae. Homologies in lipopolysaccharide and outer membrane protein profiles were also demonstrated among the strains expressing type 1-like fimbriae, which suggests the existence of a clonal relationship among O2:K1 avian E. coli strains. The O78 strains studied did not appear to be clonally related.
Endothelin signaling in osteoblasts: global genome view and implication of the calcineurin/NFAT pathway (2007)

Patients with prostate cancer develop osteoblastic metastases when tumor cells arrive in the bone and stimulate osteoblasts by secreting growth-promoting factors. Endothelin 1 (ET-1) is believed to be a key factor in promoting osteoblastic metastasis. Selective blockade of the ET(A) receptor is an established strategy in the development of cancer therapeutics. However, the molecular mechanisms whereby prostate cancer promotes abnormal bone growth are not fully understood. In this study, we have applied genomic approaches to elucidate the molecular mechanism of stimulation of osteoblasts by ET-1. To examine the ET-1 axis, we generated genomic signatures for osteoblasts treated with ET-1, in the presence and absence of a selective ET(A) antagonist (ABT-627). The ET-1 signature was comprised of several motifs, such as osteoblastic differentiation, invasion, and suppression of apoptosis. The signature also pointed at possible activation of the calcineurin/NFAT pathway. We showed that ET-1 activates calcineurin and causes nuclear translocation of NFATc1, implicating the pathway in the ET-1-mediated stimulation of osteoblasts. We also showed that ET-1 inhibits apoptosis in osteoblasts, implying that the suppression of apoptosis may be an important factor in the promotion of osteoblastic growth by ET-1.
Mycoplasma penetrans infection of Molt-3 lymphocytes induces changes in the lipid composition of host cells (1998)

The AIDS-associated Mycoplasma penetrans is capable of inducing its own uptake by non-phagocytic cells. The ability of M. penetrans to both adhere to and invade Molt-3 lymphocytes was markedly increased in the presence of polyethylene glycol 8000 (PEG). The effect of PEG was more pronounced in the more alkaline pH range, where the binding kinetics were much faster and almost unaffected by temperature (4-37 degrees C). Incubation of [14C]oleic-acid-labelled Molt-3 cells with viable M. penetrans resulted in a substantial release of radioactive fatty acids, whereas treating the host cells with heat-inactivated mycoplasmas, isolated M. penetrans membrane preparations, or M. penetrans growth medium, had no effect. Total lipid analysis of Molt-3 lymphocytes infected by M. penetrans revealed an augmented level of the neutral lipid fraction that was associated with a decrease in the relative amounts of polar lipids, mainly a decrease in the amount of phosphatidylserine and diphosphatidylglycerol. Analysis of the neutral lipid fraction in the infected Molt-3 cells revealed a fivefold increase in the relative amount of diacylglycerol and a marked increase in the free fatty acid (FFA) fraction. The profile of the FFAs released was dominated by a relatively high concentration of the polyunsaturated fatty acid docosahexaenoic acid. The release of lipid intermediates suggests that the degradation of Molt-3 cell phospholipids induced by M. penetrans may initiate a signal transmission cascade in the host cell.
Enantioselective Construction of Pyrroloindolines Catalyzed by Chiral Phosphoric Acids: Total Synthesis of (−)‐Debromoflustramine B (2012)

Acids in command: The asymmetric formation of pyrroloindolines with adjacent quaternary and tertiary carbon centers has been achieved through catalysis by a chiral phosphoric acid. Starting from readily available tryptamine, both Michael products and amination products were obtained in high yields and enantioselectivities. The significance of this study was further demonstrated by the total synthesis of (−)-debromoflustramine B. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Effects of combination treatment with policosanol and omega-3 fatty acids on platelet aggregation: A randomized, double-blind clinical study (2006)

In these patients, policosanol (10 mg/d) administered concomitantly with Ω3FA (1 g/d) enhanced the inhibition of platelet aggregation to AA and collagen, but not to epinephrine, compared with Ω3FA+Pla, without significantly affecting bleeding time. Concomitant treatment was also associated with reduced levels of LDL-C and TC and raised HDL-C levels. All treatments were well tolerated.