gebhart/patrepeval huggingface dataset:
Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes (2016)

A series of octacyanotungstate(iv)-based iron(ii) complexes with the general formula Fe(L)<sub>8</sub>[W<sup>IV</sup>(CN)<sub>8</sub>]·nH<sub>2</sub>O [L = (3-pyridyl)methanol (1, 2), 3-methylpyridine (3), (4-pyridyl)methanol (4), and 4-methylpyridine (5); n = 4 for 1, and n = 0 for 2-5] have been synthesized and characterized. Single crystal X-ray diffraction analysis reveals that the Fe<sup>II</sup> ions lie in the centre of the compressed [FeN<sub>6</sub>] octahedron in all complexes. Fe<sup>II</sup> and W<sup>IV</sup> ions are alternately bridged by cyano groups forming a three-dimensional (3D) bimetallic framework. Magnetic investigation shows that 1 displays a gradual spin-crossover (SCO) phenomenon with a spin transition temperature (T<sub>1/2</sub>) of 200 K, and such SCO behaviour is obviously correlated with the lattice water content of the sample. The magnetic measurements of dehydrated samples show that the fractional conversion from the high-spin (HS) to the low-spin (LS) state is reduced with the increasing of dehydration temperature. Complexes 2-5 are in the HS state and do not exhibit SCO properties in the range of 2-300 K. Comparing the octahedral geometry of [FeN<sub>6</sub>] of five complexes, quantified by using continuous shape measures, the distortion of complex 1 is the highest as a result of the intermolecular hydrogen bonds, which shorten the Fe-N bond distances and thus increase the ligand field strength at the Fe<sup>II</sup> sites. The analysis of correlations between the structural characteristics and magnetic behaviour of 1-5 suggests that the SCO is mainly tuned by the octahedral distortion of the [FeN<sub>6</sub>] core caused by intermolecular hydrogen bonds. There is an exact correlation between SCO behaviour and the amount of lattice water molecules existing in the crystal. The spin crossover behaviour of these complexes has been computationally studied using the DFT method. The results of the calculations are consistent with the experiments, which prove that complex 1 with severe distortion of the coordination sphere of Fe<sup>II</sup> is prone to exhibit SCO in theory.
Optimal pesticide scheduling in precision agriculture (2016)

Agricultural automation presents challenges typically encountered in the realm of cyber-physical systems, such as incomplete information (plant health indicators), external disturbances (weather), limited control authority (fertilizers cannot make a plant mature arbitrarily fast), and a combination of discrete events and continuous plant dynamics. In this paper, we investigate the problem of optimal pesticide spray scheduling. Regulations impose strict requirements on scheduling, e.g., individual pesticides are only effective during certain seasons and pesticides cannot be sprayed too close to the harvest time. We show how to translate these requirements to a metric temporal logic formula over the space of schedules. We next use the theory of optimal mode scheduling to generate a schedule that minimizes the risk of various infestations over time while guaranteeing the satisfaction of the constraints. We demonstrate this methodology via simulation with scheduling constraints based on recommendations and regulations from agricultural experts. Our case study considers blueberries, a crop whose cultivation currently involves little automation.
Application of Whole-Genome Sequencing for Bacterial Strain Typing in Molecular Epidemiology (2015)

Nosocomial infections pose a significant threat to patient health; however, the gold standard laboratory method for determining bacterial relatedness (pulsed-field gel electrophoresis [PFGE]) remains essentially unchanged 20 years after its introduction. Here, we explored bacterial whole-genome sequencing (WGS) as an alternative approach for molecular strain typing. We compared WGS to PFGE for investigating presumptive outbreaks involving three important pathogens: vancomycin-resistant Enterococcus faecium (n=19), methicillin-resistant Staphylococcus aureus (n=17), and Acinetobacter baumannii (n=15). WGS was highly reproducible (average≤0.39 differences between technical replicates), which enabled a functional, quantitative definition for determining clonality. Strain relatedness data determined by PFGE and WGS roughly correlated, but the resolution of WGS was superior (P=5.6×10(-8) to 0.016). Several discordant results were noted between the methods. A total of 28.9% of isolates which were indistinguishable by PFGE were nonclonal by WGS. For A. baumannii, a species known to undergo rapid horizontal gene transfer, 16.2% of isolate pairs considered nonidentical by PFGE were clonal by WGS. Sequencing whole bacterial genomes with single-nucleotide resolution demonstrates that PFGE is prone to false-positive and false-negative results and suggests the need for a new gold standard approach for molecular epidemiological strain typing.
Effect of intrarenally infused parathyroid hormone‐related protein on renal blood flow and glomerular filtration rate in the anaesthetized rat (1996)

1. Parathyroid hormone-related protein (PTHrP) is expressed in the kidney and acts on vascular PTH/ PTHrP receptors to vasodilate the isolated kidney and to stimulate renin release. However, effects of PTHrP on renal blood flow (RBF) and glomerular filtration rate (GFR) in vivo have not been assessed in the absence of its cardiac, peripheral and central effects. We investigated the renal effects of PTH and PTHrP infused into the left renal artery of anaesthetized rats. 2. Intrarenal infusions, adjusted to generate increasing concentrations of human PTHrP(1-34) and rat PTH(1-34) in renal plasma (2 x 10(-11) to 6 x 10(-9) M) produced a comparable dose-dependent increase in RBF. The rise was 4% at the lowest and 34% at the highest concentrations of peptides. Up to a concentration of 2 x 10(-9) M, mean arterial pressure (MAP) and heart rate were not affected, but at 6 x 10(-9) M, intrarenally infused peptides reached the peripheral circulation, and caused a fall in MAP within a few minutes. While MAP returned to basal value after the last peptide infusion, RBF remained more than 10% above control for at least 30 min. 3. Two competitive PTH/PTHrP receptor antagonists, [Nle8,18, Tyr34]-bPTH(3-34)amide and [Leu11, D-Trp12]-hPTHrP(7-34)amide (2 x 10(-8) M) were devoid of agonist activity, but markedly antagonized the dose-dependent increase in RBF elicited by PTHrP. 4. GFR and urine flow were measured in left PTHrP-infused experimental kidney and right control kidney. Renal PTHrP concentration of 10(-10) M elevated left RBF by 10%, and GFR by 20% without significantly increasing filtration fraction, and increased urine flow by 57%. In the right control kidney GFR and diuresis did not change. 5. The results indicate that PTHrP has similar renal haemodynamic effects as PTH and increases RBF, GFR and diuresis in anaesthetized rats.
Evaluation of Antibody Response in Sows after Vaccination with Senecavirus A Vaccine and the Effect of Maternal Antibody Transfer on Antibody Dynamics in Offspring (2021)

Senecavirus A (SVA) is a newly porcine virus that has been detected in many countries since its first detection in pigs in Canada in 2007, and it remains endemic in many countries in Asia and America, which has become a substantial problem for the pig industry. Vaccination is a potentially effective strategy for the prevention and control of SVA infection. Our lab has developed a SVA vaccine candidate previously. In this study, the antibody response to the prepared vaccine in sows and their offspring was evaluated. Vaccination of sows with inactivated SVA vaccines during pregnancy elicited SVA-specific virus-neutralizing antibodies. Vaccination with a high dose of SVA vaccine followed a booster immunization contributed to a long-term duration of the persistence of maternally derived neutralizing antibodies (MDAs) in the milk of the sows (>14 days). In contrast, vaccination with a single low dose of SVA vaccine resulted in a short-term persistence of MDAs in the milk (2-7 days). The MDAs could be efficiently transferred from the sows to their offspring through the colostrum/milk but not the umbilical cord blood. The antibody titers and the duration of the persistence of MDAs in the offspring are highly associated with the antibody levels in the milk from the sows. Vaccination of sows with a booster dose of SVA vaccine resulted in a longer-lasting MDAs in their offspring (persisted for at least 90 days). However, vaccination with the single low dose of vaccine only brought about 42 days of MDAs persistence in their offspring. The effect of MDAs on active immunization with SVA vaccine in offspring was further evaluated, which showed that vaccination of the SVA vaccine in the presence of MDAs at the titer of ≈1:64 or less could overcome the MDAs' interference and give rise to effective antibody response. This will help for establishing the optimal times and schedules for SVA vaccination in pigs.
Vapor-Enabled Propulsion for Plasmonic Photothermal Motor at the Liquid/Air Interface (2017)

This paper explores a new propulsion mechanism that is based on the ejection of hot vapor jet to propel the motor at the liquid/air interface. For conventional photothermal motors, which mostly are driven by Marangoni effect, it is challenging to propel those motors at the surfaces of liquids with low surface tension due to the reduced Marangoni effect. With this new vapor-enabled propulsion mechanism, the motors can move rapidly at the liquid/air interface of liquids with a broad range of surface tensions. A design that can accumulate the hot vapor is further demonstrated to enhance both the propulsion force as well as the applicable range of liquids for such motors. This new propulsion mechanism will help open up new opportunities for the photothermal motors with desired motion controls at a wide range of liquid/air interfaces where hot vapor can be generated.
Genetic control of UDP-glucose : anthocyanin 5-O-glucosyltransferase from flowers (1986)

In flower extracts of defined genotypes of Matthiola incana, an enzyme was demonstrated which catalyzes the transfer of the glucosyl moiety of uridine 5'-diphosphoglucose (UDPGlc) to the 5-hydroxyl group of pelargonidin and cyanidin 3 glycosides and acylated derivatives. The best sub strate for 5-glucosylation is the 3-xylosylglucoside acylated with p-coumarate, followed by the 3-xylo sylglucoside and by the acylated (p-coumarate) 3 glucoside. The 3-glucoside itself is a very poor sub strate. Besides UDPGlc, thymine 5'-diphosphoglu cose is a suitable glucosyl-donor, but with a re duced reaction rate (42%). The anthocyanin 5-0 glucosyltransferase exhibits a pH optimum at 7.5 and is generally inhibited by divalent ions and by ethylenediaminetetraacetic acid and /»-chloromer curibenzoate. Investigations on diffferent geno types showed that the 5-O-glucosyltransferase ac tivity is clearly controlled by the gene 1. In confir mation of earlier chemogenetic work, enzyme ac tivity is only present in lines with the wild-type allele 1 + . The anthocyanin 5-O-glucosyltransferase activity is strictly correlated with the formation of 5-glucosylated anthocyanins during bud develop ment.
Molecular Epidemiology of Community-Associated and Hospital-associated Methicillin-resistant Staphylococcus aureus in a Japanese University Hospital (2017)

Community-associated methicillin-resistant Staphylococcus aureus (CA-MRSA) has been reported in healthcare facilities worldwide. But details of CA-MRSA in Japanese healthcare facilities are rarely reported. The aims of this study are to know the distribution of CA-MRSA and healthcare-associated MRSA (HA-MRSA) with detailed molecular typing, and to assess the efficacy of infection control practice in a Japanese hospital. From July to October in 2015, first MRSA isolate from each patient was collected in Juntendo University Hospital, Tokyo, Japan. MRSA strains were categorized as CA-MRSA and HA-MRSA according to the clinical definition of CDC. Detection of toxin genes and SCCmec typing were performed by PCR. Genetic relatedness among isolates was determined by pulsed-field gel electrophoresis (PFGE). Multilocus sequence typing was performed using whole genome sequencing data. A total of 102 MRSA strains were collected in the study period, and categorized as 34 CA-MRSA (33.3 %) and 68 HA-MRSA (66.7 %), respectively. Among the 73 strains isolated from hospitalized patients, 10 were CA-MRSA (13.7 %). Whereas among the 29 strains isolated in clinic, 5 were HA-MRSA (17.2 %). Three major types were as follows: ST8-SCCmec IV (n = 26, 25.5 %, CA: HA= 10: 16), ST5-SCCmec IIa (n = 17, 16.7 %, CA: HA= 5: 12), and ST1-SCCmec IVa (n = 13, 12.7 %, CA: HA= 6: 7). Among ST8-SCCmec IV strains, SCCmec IVl, originally reported in Japanese CA-MRSA, was found both in CA-MRSA and HA-MRSA (n = 11, 10.8 %, CA: HA= 5: 6). Only one ST772-SCCmec V strain carried Panton–Valentine leukocidin (PVL) gene. Two ST765-SCCmec IIa strains in CCU, 2 ST765-SCCmec IIa strains in a general ward, and 6 ST2764-SCCmec IVa strains in NICU showed genetic relatedness by PFGE, respectively. Especially, ST2764-SCCmec IVa was a clone originally reported as HA-MRSA in another Juntendo-affiliated hospital. CA-MRSA and HA-MRSA were comparably found both in hospital and clinic. Unique Japanese clones were found in this study, but it seemed impossible to distinguish CA-MRSA and HA-MRSA simply by ST-SCCmec typing. In contrast, transmission of MRSA rarely happened in hospital. This heterogenous population structure of MRSA suggested that conventional HA-MRSA had lost its predominance by sufficient infection control, resulting in relative increase of CA-MRSA in hospital environment. All authors: No reported disclosures.
An efficient and effective analytical placer for FPGAs (2013)

The increasing design complexity of modern circuits has made traditional FPGA placement techniques not efficient anymore. To improve the scalability, commercial FPGA placement tools have started migrating to analytical placement. In this paper, we propose the first academic multilevel timing-and-wirelength-driven analytical placement algorithm for FPGAs. Our proposed algorithm consists of (1) multilevel timing-and-wirelength-driven analytical global placement with the novel block alignment consideration, (2) partitioning-based legalization, (3) wirelength-driven block matching-based detailed placement, and (4) timing-driven simulated-annealing-based detailed placement. Experimental results show that our proposed approach can achieve 6.91x speedup on average with 7% smaller critical path delay and 1% shorter routed wirelength compared to VPR, the well-known, state-of-the-art academic simulated-annealing-based FPGA placer.
Synthesis and Photovoltaic Performance of Long Wavelength Absorbing Organic Dyes for Dye-Sensitized Solar Cells (2011)

We prepared novel organic photo-sensitizers based on a carbazole framework containing various acceptors with thiophene bridge units in the chromophore for the application to dye-sensitized solar cell (DSSC). Furthermore, organic dyes without bridge in the chromophore also synthesized to investigate the correlation between conjugation lengths and photon-to-current efficiency (PCE). Compared to non-bridged dyes, the DSSCs device containing multi-anchoring dyes with thiophene bridge exhibited much higher PCEs, resulting from efficient electron extraction pathways, higher molar extinction coefficients, and better light absorption in longer wavelengths.
Reply to ’’New analysis of a high-voltage vertical multijunction solar cell’’ (1977)

An analysis is presented which demonstrates that a vertical multijunction solar cell with covering lens does have optimum dimensions. The analysis does point out that the optimum dimensions would indeed eliminate any dark junctions in series with illuminated junctions for maximum efficiency. Thus, back-to-back p-n junctions should not be designed into a solar cell.
Changes in the EGFR amplification and EGFRvIII expression between paired primary and recurrent glioblastomas (2015)

The relative stability of EGFR amplification indicates that molecular data obtained in the primary tumor can be used to predict the EGFR status of the recurrent tumor, but care should be taken in extrapolating EGFRvIII expression from the primary tumor, particularly when expressed at first diagnosis.
A model for predicting and evaluating computer resource consumption (1988)

Evaluation and prediction of computer resource consumption can aid in the determination of computer selection and configuration planning as well as in the usefulness and maintenance of existing systems. The model presented can be used in a "What If" mode to make these determinations.
A53 A NOVEL PH-SENSITIVE OPIOID ANALOGUE PROVIDES SUSTAINED ANALGESIA DURING COLONIC INFLAMMATION AND LACKS COMMON SIDE EFFECTS (2022)

Abstract Background Opioids provide effective pain relief during flares of inflammatory bowel disease but are limited by serious side effects. We showed that acute administration of a novel pH-sensitive opioid agonist, NFEPP, had potent analgesic effects in inflamed acidified colonic tissues without opioid typical side effects. However, the effects of repeated application of NFEPP during the course of an acute flare of colonic inflammation are unknown. Aims To assess the analgesic and side effect profile resulting from repeated NFEPP applications during the course of acute colitis. Methods Acute colitis in C57BL/6 mice was induced via 2.5% dextran sulfate sodium dissolved in drinking water for 5 days. Mice were then randomly group assigned to either vehicle, fentanyl or NFEPP. Drugs and vehicle were administered sc. BID for 5 days (0.4 mg/kg), with a final injection on Day 6 (Day 1–6). Visceral nociception was evaluated by performing visceromotor responses (VMRs) to colorectal distension at different time points during colitis. Side effects were assessed using 1) a combination of oral contrast-enhanced abdominal CT-scans (before/after treatment) and defecation assessments to analyze gastrointestinal transit and isometric tension recordings to evaluate colon motility 2) pulse oximeter measurements to reveal cardiorespiratory effects. Inflammation was assessed by histological scoring, myeloperoxidase activity assay and tissue pH measurement of colon samples. Results NFEPP decreased VMRs to colorectal distension over the entire period of acute DSS colitis (Day 6: 40.54%, p&amp;lt;0.001, reduction compared to baseline). However, strongest VMR inhibition was observed at Day 3 (66.7%, p&amp;lt;0.05), concordant with the peak of inflammation (MPO: 3.5 U/mg tissue, p&amp;lt;0.001; tissue Damage-Score: 3.0, p&amp;lt;0.001; tissue pH: ΔpH= -0.28, p=0.001, all compared to healthy control). Treatment with NFEPP did not delay gastrointestinal transit (GIT, p=0.37, compared to baseline) nor fecal output (p=0.45, compared to vehicle) whereas fentanyl decreased transit (GIT: p&amp;lt;0.05; fecal output: p&amp;lt;0.05). Colonic contractile responses evoked by electrical field stimulation were reduced in fentanyl treated mice compared to NFEPP (10 Hz: p&amp;lt;0.05). Fentanyl significantly reduced oxygen saturation (15 min: 85% SpO2, p&amp;lt;0.01) and caused a sustained reduction in heart rate at Day 2 (60 min: Δ BPM -91.8 from baseline, p=0.001) whereas NFEPP did not affect oxygen saturation (p=0.95) and revealed minor, transient effects on heart rate (15 min: Δ BPM -75.6, p&amp;lt;0.01) which recovered after 60 min. Conclusions Prolonged NFEPP administration effectively inhibits visceral nociception during acute colitis in a preclinical mouse model without altering gastrointestinal transit, colon motility and oxygen saturation. Funding Agencies CCC
Body temperature patterns in black-tailed prairie dogs in the field (1988)

Body temperatures (T b ) of black-tailed prairie dogs (Cynomys ludovicianus) were monitored in the field for 1 year. A daily T b rhythm was evident during all months that animals were monitored. Diurnal high T b was always greater than nocturnal low T b . An annual T b pattern was evident with summer T b &gt; winter T b . The maximum range in T b over the year was 5.8 °C, between August diurnal T b (39.3 °C) and January nocturnal T b (33.5 °C). The greatest difference between average high and low T b in 1 month occurred in January (2.8 °C). Torpor was never observed. The lowest recorded T b in any individual animal was 31.0 °C during nighttime hours in January. Males exhibited higher T b than females at all hours during the prebreeding period in January, while females showed greater T b than males during the breeding period in February for 15 of 24 h. Significant differences in T b were not observed between males and females at other times of the year. The daily and annual T b patterns observed result in energy and water savings.
Effect of Zn/Mg on Age Hardening Behavior in 7000 System Al Alloys (2014)

7000 System Al has been known as one of the aluminum alloys with the good age hardening ability and the high strength among commercial aluminum alloys. [1]In this study, hardness measurement, tensile test, SEM observation and TEM observation have been performed in order to understand the effect of Zn/Mg ratio on age hardening behaviour in Al-Zn-Mg alloys . It can be seen from hardness measurement that the alloy containing higher Zn and Mg contents became hard. Tensile test was performed for the samples of peak aged condition. It can been seen that the alloy containing higher Zn and Mg increases the tensile strength of the alloy though decrease of the elongation were observed a typical intergranular fracture. TEM observation was performed for peak aged samples. The size of precipitates became finer and the number density increased with increasing Zn and Mg contents.
Golden Angle Modulation: Geometric- and Probabilistic-shaping (2017)

Quadrature amplitude modulation (QAM), deployed in billions of communication devises, exhibits a shaping-loss of $π\mathrm{e}/6$ ($\approx 1.53$ dB) compared to the Shannon-Hartley theorem. With inspiration gained from special (leaf, flower petal, and seed) packing arrangements (so called spiral phyllotaxis) found among plants, we have designed a shape-versatile, circular symmetric, modulation scheme, \textit{the Golden angle modulation (GAM)}. Geometric- and probabilistic-shaping-based GAM schemes are designed that practically overcome the shaping-loss of 1.53 dB. Specifically, we consider mutual information (MI)-optimized geometric-, probabilistic-, and joint geometric-and-probabilistic-GAM, under SNR-equality, and PAPR-inequality, constraints. Out of those, the joint scheme yields the highest MI-performance, and then comes the probabilistic schemes. This study finds that GAM could be an interesting candidate for future communication systems. Transmitter resource limited links, such as space probe-to-earth, satellite, and mobile-to-basestation, are scenarios where capacity achieving GAM could be of particular value.