gebhart/patrepeval huggingface dataset:
Rapid Discovery and Structure−Activity Profiling of Novel Inhibitors of Human Immunodeficiency Virus Type 1 Protease Enabled by the Copper(I)-Catalyzed Synthesis of 1,2,3-Triazoles and Their Further Functionalization (2006)

Building from the results of a computational screen of a range of triazole-containing compounds for binding efficiency to human immunodeficiency virus type 1 protease (HIV-1-Pr), a novel series of potent inhibitors has been developed. The copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC), which provides ready access to 1,4-disubstituted-1,2,3-triazoles, was used to unite a focused library of azide-containing fragments with a diverse array of functionalized alkyne-containing building blocks. In combination with direct screening of the crude reaction products, this method led to the rapid identification of a lead structure and readily enabled optimization of both azide and alkyne fragments. Replacement of the triazole with a range of alternative linkers led to greatly reduced protease inhibition; however, further functionalization of the triazoles at the 5-position gave a series of compounds with increased activity, exhibiting Ki values as low as 8 nM.
Crystal structure and properties of barium nickel sulfide, a square-pyramidal nickel(II) compound (1970)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCrystal structure and properties of barium nickel sulfide, a square-pyramidal nickel(II) compoundI. E. Grey and Hugo SteinfinkCite this: J. Am. Chem. Soc. 1970, 92, 17, 5093–5095Publication Date (Print):August 1, 1970Publication History Published online1 May 2002Published inissue 1 August 1970https://pubs.acs.org/doi/10.1021/ja00720a015https://doi.org/10.1021/ja00720a015research-articleACS PublicationsRequest reuse permissionsArticle Views565Altmetric-Citations79LEARN 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
Kinetics of the γ-Ray Induced Polymerization of Ethylene in 1,2-Dichlorotetrafluoroethane (1972)

Abstract The γ-ray induced polymerization of ethylene in bulk or in solution in the presence of 26.9–67.3 g of 1,2-dichlorotetrafluoroethane (R-114) was carried out in a 100-ml reactor under a pressure of 210–400 kg/cm2 and at 30°C, with a dose rate of 1×104–9×104 rad/hr. The rate of the polymerization and the molecular weight of the polymer formed increased with the reaction time and the pressure. The rate also increased upon the addition of an appropriate amount of R-114. On the other hand, the molecular weight decreased with an increase in the amount of R-114. The dose-rate exponents of the rate and the molecular weight were found to be 0.8 and −0.2 respectively. These results were analyzed kinetically, and the rates and the rate constants of the initiation, propagation, transfer, and termination reactions were evaluated. Further, the roles of R-114 in the polymerization were discussed.
The Deoxidation of Steel with Al-Si Alloy (1973)

The mechanism on the deoxidation of molten ironwith Al and Al-Si alloy deoxidizer was investigated by using induction furnace and Tammann furnace.The experimental results were summarized as follows.1) The deoxidation of molten iron with Al was not effective in air. But under the Ar atmosphere, the decrease of total oxygen content was remarkable.2) In the beginning of deoxidation with Al-Si alloy in air, the reaction between Al and O was much faster than the reaction between Si and O.Al was consumed immediately, but Si was remained sufficiently as soluble Si at that time. Subsequently Si reacted with oxygen in air and protected the reoxidation of molten iron by the formation of SiO2particles.3) The yield of Al in the beginning of deoxidation was increased by Si. Flake like primary a in Al-Si alloy protected Al-Si eutectic against consumption of Al, when the deoxidizer was added into molten iron.
Evaluation of the Estrogenic Activity of Pueraria (Kudzu) Flower Extract and Its Major Isoflavones Using ER-Binding and Uterotrophic Bioassays (2013)

Pueraria flower extract (PFE) is a hot water extract of the Kudzu flower (Pueraria thomsonii). Tea made from dried Kudzu flower is widely used inChina, and PFE is utilized as a nutritional supplement inJapan. PFE contains unique isoflavones such as 6-hydroxygenistein 6,7-di-O-glucoside (6HGDG), tectorigenin 7-O-xylosylglucoside (TGXG), and tectoridin. 6HGDG is known to be metabolized into 6-hydroxygenistein, and TGXG and tectoridin are known to be metabolized into tectorigenin in the digestive tract. Isoflavones typically mimic the effects β-estradiol has on estrogen receptors (ERs) and may influence the female genital system in the case of excessive intake. As a result, the upper limit of safe daily consumption of soy isoflavones has been enforced inJapan. In the present study, ER-binding assays were performed using the EnBio estrogen receptor/cofactor assay system to compare the estrogenic activity of 6-hydroxygenistein and tectorigenin to that of the soy isoflavone genistein. In addition, uterotrophic bioassays were performed to investigate the estrogenic effects of PFE in vivo. The ER-binding assays revealed that the ER-binding affinities of 6-hydroxygenistein and tectorigenin were approximately 0.01 - 0.04 that of genistein. Soy isoflavone products also induced an increase in uterine wet and blotted weight at doses of 500 mg/kg and 1000 mg/kg, whereas PFE did not cause adverse estrogenic effects, even at a dose of 1000 mg/kg. Based on these results, PFE does not appear to contain compounds with strong estrogenic activity or cause adverse estrogenic effects in vivo. Importantly, the results of this study confirm the safety of PFE as a food supplement.
U-HO1, a new cell line derived from a primary refractory classical Hodgkin lymphoma (2007)

The Hodgkin cell line U-HO1 was established from a malignant pleural effusion of a 23-year-old male patient during the end stage of refractory nodular sclerosing classical Hodgkin lymphoma (cHL). Since its establishment in 2005, U-HO1 has maintained stable characteristics in vitro and has a doubling time of about 4 days under standard culture conditions. U-HO1 forms typical Reed-Sternberg cells in suspension, is EBV negative, lacks HLA-A, -B, -C but expresses HLA-D proteins/CD74 and exposes CD15 together with CD30 in the absence of CD19 and CD20 on the cell surface. Karyotype analysis of U-HO1 revealed a hyperdiploid karyotype with multiple clonal aberrations. Most significant is an elongated chromosome 2, der(2)t(2;10)(q35; q16.1)add(2)(p13). CGH analysis revealed the following imbalances: ish cgh dim(1)(p13p31)(p12q21), enh(2)(p13p23), dim(4)(q31.3qter), enh(6)(q22q27), enh(12), enh(18), enh(20) (q13.1pter). FISH analysis showed about six-fold amplification of REL and BCL11A, thus, U-HO1 is prototypical for cHL in every aspect tested so far. As an outstanding feature compared to the existing HL cell lines, U-HO1 has high levels of microRNA transcripts of MIRN216 and MIRN217 located in the amplicon 2p16. Compared to other HL cell lines, U-HO1 proved far less genetically aberrant suggesting that U-HO1's imbalances suffice to cause the full-blown phenotype of primary refractory cHL.
Halonitroanilides and Their Bacteriostatic Activity (1966)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHalonitroanilides and Their Bacteriostatic ActivityJoseph W. Baker, Ignatius Schumacher, Gerald L. Bachman, Daniel P. Roman, and Alan L. TharpCite this: J. Med. Chem. 1966, 9, 3, 428–430Publication Date (Print):May 1, 1966Publication History Published online1 May 2002Published inissue 1 May 1966https://pubs.acs.org/doi/10.1021/jm00321a046https://doi.org/10.1021/jm00321a046research-articleACS PublicationsRequest reuse permissionsArticle Views79Altmetric-Citations2LEARN 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
Uridine phosphorylase from Novikoff rat hepatoma cells: Purification, kinetic properties, and its role in uracil anabolism (1985)

Uridine phosphorylase activity was detected in sonic extracts of six different mammalian cell lines and, in conjunction with uridine kinase, provides a route for the conversion of uracil to UMP via uridine. Uracil phosphoribosyl transferase activity was not detected in any of eight different mammalian cell lines. Uridine phosphorylase was purified 5,330-fold from Novikoff rat hepatoma cells by ammonium sulfate precipitation, DEAE-Sephadex chromatography, hydroxyapatite chromatography, and Sephadex G-200 fractionation. The molecular weight of the enzyme by gel filtration was approximately 45,000. The kinetics of the purified enzyme were analyzed with respect to all four substrates at saturating cosubstrate concentration, yielding the parameters KmUra = 360 microM, KmRib-1-P = 88 microM, KmUrd = 16 micron, and KmPi = 130 microM. However, in intact cells the phosphorolysis of uridine proceeded with an apparent Km of 231 microM. Novikoff cells treated with 0.5 mM inosine exhibited an increase in uracil uptake rate which was proportional to an observed increase in intracellular ribose-1-phosphate. Nevertheless, in cells whose de novo synthesis of pyrimidines was blocked by pyrazofurin or N-(phosphonacetyl)-L-aspartate ("PALA"), the uptake of uracil was insufficient to support proliferation, even when enhanced by inosine. These observations are consistent with the kinetic characteristics of the enzyme and provide evidence that the intracellular level of ribose-1-phosphate plays a rate-limiting role in the uptake of uracil mediated by uridine phosphorylase.
Analysis of quantization effects on performance of hierarchical cooperation schemes in Ad-hoc wireless networks (2011)

In this paper, we analyze the role of the number of quantization bits on the third phase of the hierarchical cooperation scheme proposed by Ozgur et al. in 2007. The hierarchical cooperation scheme has a digital architecture and requires quantization of MIMO (Multiple-Input Multiple-Output) observations in the third phase. The choice of the number of quantization bits Q has direct effect on the pre-constant factor of the network throughput. By increasing the number of quantization bits, the MIMO capacity in the second phase increases at the expense of higher computational complexity of the third phase. We investigate such trade-off and show that there is an optimum number of quantization bits which maximizes the throughput. In addition, it will be shown that due to quantization noise, it is not possible to increase throughput pre-constant factor as large as desired by increasing transmit power. As a result, there is a saturation value for the pre-constant value. Finally, we will demonstrate that by proper scaling of Q as Q = β log(SNR) for any β independent of SNR, an increasing pre-constant factor of order √(log (SNR)) can be achieved.
Innovation by a family medical practice to provide infant mental health services (1982)

The authors suggest that infant mental health principles have practical applicability to the daily lives of families with babies, and they offer one approach to making such application in a private practice. It is suggested that combining psychiatry, family medicine, psychology and nursing may make for a particularly well integrated team that has greater capability than each of its members has alone. Finally, thoughts are offered about the usefulness of research in a private setting, and the economic viability of this kind of practice is discussed.
Improved storage of platelets for transfusion in a new container (1982)

The storage of platelet concentrates (PC) at 22°C in Polyvinylchloride containers has been limited to 3 days. Even within this time interval, fall in pH to 6.0 or less with associated loss of viability occurs in a substantial number of PC. Previous work demonstrated that the fall in pH resulted from increased production of lactic acid due to hypoxic conditions within the container and could be prevented by storage in a container constructed from material that was more permeable to oxygen than conventional Polyvinylchloride plastic, PL-146. We have now studied PC storage in a new polyolefin plastic, PL-732. This material has increased permeability to oxygen, and pH fall to less than 6.0 does not occur during 5 days of storage. In autologous studies using chromium-51 labeling, mean in vivo recovery and survival T1/2 were 51% and 3.1 days, respectively, after 5 days of storage. After the same storage interval, mean corrected platelet increments in thrombocytopenic patients were 15.7, 11.1, and 6.9 × 103/cu mm/sq m/1011 platelets infused at 1-3,4-6, and 24 hr after infusion. In paired studies in the same patient, PC stored for 5 days in PL-732 were consistently superior to PC stored for 3 days in PL-146. At 4-6 and 24 hr after infusion, bleeding times were shortened appropriately for the elevation of the platelet count achieved. These good results were achieved by agitating PC (50 ml) on a flat-bed agitator at 70 cycles per minute. Inconsistent results were observed in autologous studies with two other forms of agitation. We conclude that the use of PL-732 will permit the satisfactory storage of PC for 5 days at 22°C. Storage of PC at 4°C has not been evaluated in this container.
A multi-purpose interface to an on-line dictionary (1987)

We argue that there are two qualitatively different modes of using a machine-readable dictionary in the context of research in computational linguistics: batch processing of the source with the purpose of collating information for subsequent use by a natural language application, and placing the dictionary on-line in an environment which supports fast interactive access to data selected on the basis of a number of linguistic constraints. While it is the former mode of dictionary use which is characteristic of most computational linguistics work to date, it is the latter which has the potential of making maximal use of the information typically found in a machine-readable dictionary. We describe the mounting of the machine-readable source of the Longman Dictionary of Contemporary English on a single user workstation to make it available as a development tool for a number of research projects.
Energy recovery design for low-power ASICs (2004)

Three decades ago, theoretical physicists suggested that the controlled recovery of charges could result in electronic circuitry whose power dissipation approaches thermodynamic limits, growing at a significantly slower pace than the fCV/sup 2/ rate for CMOS switching power. Early engineering research in this field, which became generally known as adiabatic computing, focused on the asymptotic energetics of computation, exploring VLSI designs that use reversible logic and adiabatic switching to preserve information and achieve nearly zero power dissipation as operating frequencies approach zero. Recent advances in CMOS VLSI design have taken us to real working chips that rely on controlled charge recovery to operate at substantially lower power dissipation levels than their conventional counterparts. Although their origins can be traced back to the early adiabatic circuits, these so-called energy-recovering systems approach charge recycling from a more practical angle, achieving operating frequencies in the hundreds of MHz with relatively low overhead. Among other energy recovering designs, researchers in the field have demonstrated microcontrollers, standard-cell ASICs, SRAMs, LCD panel drivers, I/O drivers, and multi-GHz clock networks. In this tutorial, we present an overview of the field, focusing on the most promising charge recovering design techniques for ASICs that are close to integration into the field.
Tetraoxane Antimalarials and Their Reaction with Fe(II) (2006)

Mixed tetraoxanes 5a and 13 synthesized from cholic acid and 4-oxocyclohexanecarboxylic acid were as active as artemisinin against chloroquine-susceptible, chloroquine-resistant, and multidrug-resistant Plasmodium falciparum strains (IC50, IC90). Most active 13 is metabolically stable in in vitro metabolism studies. In vivo studies on tetraoxanes with a C(4' ') methyl group afforded compound 15, which cured 4/5 mice at 600 and 200 mg.kg-1.day-1, and 2/5 mice at 50 mg.kg-1.day-1, showing no toxic effects. Tetraoxane 19 was an extremely active antiproliferative with LC50 of 17 nM and maximum tolerated dose of 400 mg/kg. In Fe(II)-induced scission of tetraoxane antimalarials only RO* radicals were detected by EPR experiments. This finding and the indication of Fe(IV)=O species led us to propose that RO* radicals are probably capable of inducing the parasite's death. Our results suggest that C radicals are possibly not the only lethal species derived from peroxide prodrug antimalarials, as currently believed.
Maximum-Quality Tree Construction for Deadline-Constrained Aggregation\n in WSNs (2016)

In deadline-constrained wireless sensor networks (WSNs), quality of\naggregation (QoA) is determined by the number of participating nodes in the\ndata aggregation process. The previous studies have attempted to propose\noptimal scheduling algorithms to obtain the maximum QoA assuming a fixed\nunderlying aggregation tree. However, there exists no prior work to address the\nissue of constructing optimal aggregation tree in deadline-constraints WSNs.\nThe structure of underlying aggregation tree is important since our analysis\ndemonstrates that the ratio between the maximum achievable QoAs of different\ntrees could be as large as O(2^D), where D is the deadline. This paper casts a\ncombinatorial optimization problem to address optimal tree construction for\ndeadline-constrained data aggregation in WSNs. While the problem is proved to\nbe NP-hard, we employ the recently proposed Markov approximation framework and\ndevise two distributed algorithms with different computation overheads to find\nclose-to-optimal solutions with bounded approximation gap. To further improve\nthe convergence of the proposed Markov-based algorithms, we devise another\ninitial tree construction algorithm with low computational complexity. Our\nextensive experiments for a set randomly-generated scenarios demonstrate that\nthe proposed algorithms outperforms the existing alternative methods by\nobtaining better quality of aggregations.\n
Control of <scp>TMEM16A</scp> by <scp>INO</scp>‐4995 and other inositolphosphates (2012)

These data indicate that TMEM16A is the target for INO-4995, although the mode of action appears different for overexpressed and endogenous channels. INO-4995 may be useful for the treatment of CF lung disease.
The influence of random delays on parallel execution times (1993)

Stochastic models are widely used for the performance evaluation of parallel programs and systems. The stochastic assumptions in such models exe intended to represent non-deterministic processing requirements as well as random delays due to inter-process communication end resource contention. In this paper, we provide compelling analytical and experimental evidence that in current and foreseeable shared-memory programs, communication delays introduce negligible variance into the execution time between synchronization points. Furthermore, we show using direct measurements of variance that other sources of randomness, particularly non-deterministic computational requirements, also do not introduce significant variance in many programs. We then use two examples to demonstrate the implications of these results for parallel program performance prediction models, as well as for general stochastic models of parallel systems.
Effect of Trastuzumab and Chemotherapy on Circulating Tumor Cells in Patients with Poor Prognosis Metastatic Breast Cancer. (2009)

Abstract Background. Trastuzumab has significant activity in HER2 neu amplified metastatic breast cancer (MBC). We hypothesized that it may selectively act against circulating tumor cells (CTC) in HER2-positiveMBC. We assessed the effect of trastuzumab-based regimens on CTC in HER2-positive MBC with poor prognosis (≥ 5 CTC).Patients and Methods. We retrospectively evaluated patients with poor prognosis MBC (baseline ≥ 5 CTC) treated with a first-line regimen consisting of trastuzumab+antimitotic agents in 11 HER2-positive patients not previously pretreated with trastuzumab, chemotherapy with antimitotic agents in 24 HER2-normal patients, and other chemotherapeutic drugs (mainly capecitabine) in other 16 HER2-normal patients. CTC were detected and enumerated using the CellSearch system (Veridex LLC, Warren NJ, USA). We evaluated the effect on CTC counts and on progression-free survival (PFS) and overall survival (OS).Results. At a median follow-up of 16 months (range, 4 to 48), 24 patients (47%) died. All 11 HER2-positive patients treated with trastuzumab+antimitotic agents had &lt;5 CTC during the treatment. Only 16 (67%) with HER2-normal MBC had &lt;5 CTC with antimitotic agents (p = 0.037), and 28 (70%) with other chemotherapeutic regimens (p = 0.048). No statistically significant difference was observed between patients treated with antimitotic agents and those treated with other chemotherapeutic agents (p = 0.73). There was no difference between patients receiving polychemotherapy and monochemotherapy (p = 0.73). The median PFS was 12 months in HER2-positive patients treated with trastuzumab+antimitotic agents compared with 7 months for those with HER2-normal (p = 0.09). The median OS was not reached (&gt;20 months) and 19 months (p = 0.034), respectively. The median PFS was 8 months in HER2-normal patients with ≥5 CTC and 4 months in those with &lt;5 CTC (p = 0.01). The median OS was not reached (&gt;17 months) and 9 months (p = 0.01), respectively.Conclusions. Trastuzumab is highly effective in patients with HER2-positive MBC with poor prognosis (≥ 5 CTC). Antimitotic agents and other chemotherapy agents did not show a similar effect in HER2-normal MBC. CTC might be useful in the monitoring of poor prognosis MBC patients undergoing therapy with trastuzumab. Citation Information: Cancer Res 2009;69(24 Suppl):Abstract nr 3014.
ChemInform Abstract: ON THE FORMATION OF THE 1‐AZA(3.1.1)BICYCLOHEPTANE RING SYSTEM (1984)

Abstract Aus dem leicht zugänglichen Tetrahydropyridin (I) erhält man mit H, /Ra‐Ni das Piperidin (IIa), dessen Mesylat (IIb) mit Hydrochinonmonomethylether (III) zu Femoxetin (IV) als cis/trans‐Gemisch von 4 Stereoisomeren führt, wobei das (+)‐trans‐Isomere physiologisch aktiv ist; es besitzt hohe ZNS‐Aktivität als Antidegressivum und kann in der skizzierten Weise in größeren Mengen hergestellt werden.