gebhart/patrepeval huggingface dataset:
Molecular energy levels of azines; ab initio calculations and correlation with photoelectron spectroscopy (1974)

Non-empirical calculations using a standard gaussian atomic orbital basis (LCGO) have been carried out for known and unknown azines. The wavefunctions show pseudo D6h symmetry and have been correlated with those of benzene; this correlation has been used to interpret the combinations of ‘lone pair’ orbitals that occur. In the case of the tetrazines the splitting of the lone pair levels leads to extensive overlap with the CH region of energy so that mixing occurs and 1,2,4,5-tetrazine shows five orbitals which can be described as ‘lone pair orbitals’. The orbital energy ordering is effectively identical with that obtained from recent double ζ calculations on a few of the molecules; these energies correlate well with photoelectron spectra and obey the relationship IPobs= 0·790IPcalc. Correlations using CNDO/2, INDO, and the Extended Huckel Method (EHM) are less satisfactory both in grouping of the orbitals and absolute energies. The LCGO band assignments are generally in good agreement with those made by Lindholm et al. based upon the EHM. The thermodynamic stability of the azines with respect to fragmentation is discussed; the difference in energies between the classical alternating bond lengths and the observed ones for selected examples are in the region 6–10 kcal mol–1.
Ultra-wideband signal detection using photonic signal preprocessing (2005)

Photonic time-stretch processor can be used to slow down electrical ultra-wideband waveform before it is captured by an electronic digitizer. Using this technique, a real-time transient digitizer with a record one-tera-sample/sec sampling rate is demonstrated.
Stimulation of interleukin-13 expression by human T-cell leukemia virus type 1 oncoprotein Tax via a dually active promoter element responsive to NF-κB and NFAT (2008)

The human T-cell leukemia virus type 1 (HTLV-1) Tax oncoprotein transforms human lymphocytes and is critical for the pathogenesis of HTLV-1-induced adult T-cell leukaemia. In HTLV-transformed cells, Tax upregulates interleukin (IL)-13, a cytokine with proliferative and anti-apoptotic functions that is linked to leukaemogenesis. Tax-stimulated IL-13 is thought to result in autocrine stimulation of HTLV-infected cells and thus may be relevant to their growth. The causal transactivation of the IL-13 promoter by Tax is predominantly dependent on a nuclear factor of activated T cells (NFAT)-binding P element. Here, it was shown that the isolated IL-13 Tax-responsive element (IL13TaxRE) was sufficient to mediate IL-13 transactivation by Tax and NFAT1. However, cyclosporin A, a specific NFAT inhibitor, revealed that Tax transactivation of IL13TaxRE or wild-type IL-13 promoter was independent of NFAT and that NFAT did not contribute to IL-13 upregulation in HTLV-transformed cells. By contrast, Tax stimulation was repressible by an efficient nuclear factor (NF)-kappaB inhibitor (IkBaDN), indicating the requirement for NF-kappaB. The capacity of NF-kappaB to stimulate IL13TaxRE was demonstrated by a strong response to NF-kappaB in reporter assays and by direct binding of NF-kappaB to IL13TaxRE. Thus, IL13TaxRE in the IL-13 promoter represents a dually active promoter element responsive to NF-kappaB and NFAT. Together, these results indicate that Tax causes IL-13 upregulation in HTLV-1-infected cells via NF-kappaB.
High Frequency of Skin-homing Melanocyte-specific Cytotoxic T Lymphocytes in Autoimmune Vitiligo (1998)

Vitiligo is an autoimmune condition characterized by loss of epidermal melanocytes. Using tetrameric complexes of human histocompatibility leukocyte antigen (HLA) class I to identify antigen-specific T cells ex vivo, we observed high frequencies of circulating MelanA-specific, A*0201-restricted cytotoxic T lymphocytes (A2-MelanA tetramer+ CTLs) in seven of nine HLA-A*0201-positive individuals with vitiligo. Isolated A2-MelanA tetramer+ CTLs were able to lyse A*0201-matched melanoma cells in vitro and their frequency ex vivo correlated with extent of disease. In contrast, no A2-MelanA tetramer+ CTL could be identified ex vivo in all four A*0201-negative vitiligo patients or five of six A*0201-positive asymptomatic controls. Finally, we observed that the A2-MelanA tetramer+ CTLs isolated from vitiligo patients expressed high levels of the skin homing receptor, cutaneous lymphocyte-associated antigen, which was absent from the CTLs seen in the single A*0201-positive normal control. These data are consistent with a role of skin-homing autoreactive melanocyte-specific CTLs in causing the destruction of melanocytes seen in autoimmune vitiligo. Lack of homing receptors on the surface of autoreactive CTLs could be a mechanism to control peripheral tolerance in vivo.
Chemical Capacitor Based on Activated Carbon Powder and Poly(vinyl alcohol)-H2SO4 Proton Conducting Polymer Electrolyte (2001)

A totally solid state electric double layer capacitor was fabricated using a PVA-H 2 SO 4 -H 2 O polymer electrolyte and activated carbon powder (ACP) as an electrode material. The polymer electrolyte served both as a separator as well as a binder of carbon powder. The PVA-H 2 SO 4 -H 2 O (separator) as well as PVA-H 2 SO 4 -H 2 O-ACP foils were prepared by the solution cast technique. The electric performance of the capacitors was investigated by cyclic voltammetry, galvanostatic charging/discharging and impedance spectroscopy. The prototype capacitors were assembled by contacting three foils (electrode + electrolyte + electrode) having a thickness of ca 1.5-2 mm, a diameter of 1.8 cm and a capacity of ca. 0.6-1.5 F. The specific capacitance of ACP was estimated to be of ca 130 F/g.
Covalent Guanosine Mimetic Inhibitors of G12C KRAS (2016)

Ras proteins are members of a large family of GTPase enzymes that are commonly mutated in cancer where they act as dominant oncogenes. We previously developed an irreversible guanosine-derived inhibitor, SML-8-73-1, of mutant G12C RAS that forms a covalent bond with cysteine 12. Here we report exploration of the structure-activity relationships (SAR) of hydrolytically stable analogues of SML-8-73-1 as covalent G12C KRAS inhibitors. We report the discovery of difluoromethylene bisphosphonate analogues such as compound <b>11</b>, which, despite exhibiting reduced efficiency as covalent G12C KRAS inhibitors, remove the liability of the hydrolytic instability of the diphosphate moiety present in SML-8-73-1 and provide the foundation for development of prodrugs to facilitate cellular uptake. The SAR and crystallographic results reaffirm the exquisite molecular recognition that exists in the diphosphate region of RAS for guanosine nucleotides which must be considered in the design of nucleotide-competitive inhibitors.
Potassium channels as promising new targets for pharmacologic treatment of tinnitus: Can Internet-based ‘crowd sensing’ initiated by patients speed up the transition from bench to bedside? (2015)

Tinnitus, the perception of sound in the absence of a corresponding sound source is a frequent disorder. Many pharmacological compounds have been investigated, but for none of these is there convin...
Virtual wet lab practice: From a sudden crisis towards the deployment of an integrated faculty strategy (2020)

&#x0D; &#x0D; &#x0D; &#x0D; This is a brief overview on student engagement and perception of remote practical activities during the COVID-19 outbreak emergency. The topics that were heavily affected by these sudden and unexpected changes, where chemistry, biochemistry, bioinformatics, pharmacology, and compounding. This survey took responses from the students of both bachelor and master's degrees at the School of Pharmacy of the University of Milan. This University is in the epicentre of the COVID-19 outbreak in Italy. Despite a good or high appreciation of the online practical activities, up to 95% of participants agreed that multimedia content cannot efficiently replace in- person labs. Moreover, discussions with the teachers and discussions among lab mates has a great positive impact on the knowledge and skills they acquire.&#x0D; &#x0D; &#x0D; &#x0D;
In-Flight Operation of the Dawn Ion Propulsion System Through Orbit Capture at Vesta (2011)

The Dawn mission, part of NASA's Discovery Program, has as its goal the scientific exploration of the two most massive main-belt asteroids, Vesta and Ceres. The Dawn spacecraft was launched from Cape Canaveral Air Force Station on September 27, 2007 on a Delta -II 7925H-9.5 (Delta-II Heavy) rocket that placed the 1218 kg spacecraft into an Earth-escape trajectory. Onboard the spacecraft is an ion propulsion system (IPS) developed at the Jet Propulsion Laboratory which will provide most of the ?V needed for heliocentric transfer to Vesta, orbit capture at Vesta, transfer among Vesta science orbits, departure and escape from Vesta, heliocentric transfer to Ceres, orbit capture at Ceres, and transfer among Ceres science orbits. The first 80 days after launch were dedicated to the initial checkout of the spacecraft which was followed by about ten months of full-power thrusting leading to a Mars gravity assist in February 2009 that provided 1 km/s of heliocentric energy increase and is the only part of the mission following launch in which a needed velocity change is not accomplished by the IPS. Deterministic thrusting for heliocentric transfer to Vesta resumed in June 2009 and was concluded with orbit capture at Vesta in July 2011. IPS was operated for approximately 23,400 hours, consumed approximately 250 kg of xenon, and provided a delta-V of approximately 6.7 km/s to achieve orbit capture at Vesta. IPS performance characteristics are very close to the expected performance characteristics based on analysis performed pre-launch. The only significant problem to have occurred over the almost four years of IPS operations in flight was the temporary failure of a valve driver board in DCIU-1, resulting in a loss of thrust of approximately 29 hours. Thrusting operations resumed after switching to DCIU-2, and power cycling conducted after orbit capture indicates DCIU-1 is completely operational. After about three weeks of survey operations IPS will be used to maneuver the spacecraft as needed for science operations including orbit transfers. After approximately one year of science operations IPS will then be used for escape from Vesta and begin thrusting for cruise to Ceres with a planned arrival date at Ceres in February 2015. This paper provides an overview of Dawn's mission objectives and the results of Dawn IPS mission operations through orbit capture and the start of science operations at Vesta.
Twin Boundary Defect Structure in Bismuth Telluride (2012)

Extended abstract of a paper presented at Microscopy and Microanalysis 2012 in Phoenix, Arizona, USA, July 29 – August 2, 2012.
Epidural Analgesia, Intrapartum Fever, and Neonatal Sepsis Evaluation (1997)

Use of epidural analgesia during labor is strongly associated with the occurrence of maternal intrapartum fever, neonatal sepsis evaluations, and neonatal antibiotic treatment.
An Analysis of Local Government Financial Statement Audit Outcomes in a Developing Economy Using Machine Learning (2022)

Good financial management provides economic stability and sustainability to an organization. It enables an organisation to make good use of its resources and plan effectively. South Africa’s public financial management has deteriorated over time, with only 16% of municipalities receiving a clean audit in the 2020-21 financial period as reported by the Auditor General of South Africa. This work aims to find an appropriate model for analysing and predicting audit outcomes for South African municipalities. The data used in the study include 1560 observations of which 55% were unqualified audit opinions. The features used are 13 financial ratios obtained from financial statements from years 2012 to 2018. Feature selection is performed using random forest, correlation analysis and stepwise regression analysis. The performances of three machine learning algorithms are compared; decision tree, artificial neural network (ANN) and logistic regression models. The findings indicate that ANN is the appropriate model for predicting audit opinions in South African municipalities with overall average area under the receiver operating characteristic curve of 0.6918 and overall average area under the Precision–Recall curve of 0.7074 across all feature selection methods. In addition, debt to operating ratio, current ratio and net operating surplus margin are found to be the common three important financial ratios across the various feature selection techniques.
Contrast ultrasonography of the kidney: a new method for evaluation of renal perfusion in vivo. (1987)

Assessment of the effects of pharmacologic agents on renal blood flow (RBF) is clinically important in many disease states, including hypertension and congestive heart failure. However, because of the complexities of RBF, quantitation in vivo has been technically difficult. This study demonstrates the utility of ultrasound imaging of the kidney combined with injection of a sonicated radiocontrast solution (Renografin-76) for the assessment of regional renal blood flow. The technique uses a suspension of uniform microbubbles (diameter 4.4 +/- 2.8 micron), which when injected directly into the descending aorta are distinctly visualized by renal ultrasound. Five dogs were studied. Catheters were placed in the descending aorta for injection of sonicated Renografin and in the renal artery for drug infusions. Data were collected before and during intrarenal artery infusions of bradykinin and norepinephrine. Total RBF was measured by electromagnetic flowmeter. Video density time curves were generated for comparable segments of the outer renal cortex and fit to a monoexponential decay curve. This allowed calculation of the mean exponential decay index (t1/2). An increase in t1/2 paralleled decreased renal perfusion (i.e., longer washout of contrast material). The opposite was true for a decrease in t1/2. Bradykinin increased RBF from 134 +/- 26 to 249 +/- 19 ml/min (p less than .01 vs control), and norepinephrine decreased RBF from 130 +/- 25 to 51 +/- 17 ml/min (p less than .01 vs control).(ABSTRACT TRUNCATED AT 250 WORDS)
Recent Advances in Dye-Sensitized Solar Cells (2007)

This review describes recent advances in the research on dye-sensitized solar cells. After a brief discussion of the general operation principles and a presentation of record efficiencies, stability data and key technology drivers, current trends will be reviewed. The focus of this review is on materials development (sensitizers, nanostructured oxide films, and electrolyte), but commercialization aspects will also be briefly addressed. The review describes the most relevant characteristics and major trends in a compact way.
Latexes of starch-based graft polymers containing polymerized acrylonitrile (1976)

The scope of graft reactions to produce starch-based latexes was extended by graft polymerization of acrylonitrile (AN) onto gelatinized cationic starch possessing quaternary amine functionality and by graft terpolymerization of AN and t-butylaminoethyl methacrylate (TBAEM) onto gelatinized starch by cerium (IV) initiation at 25°C. Grafting onto starches containing highly basic quaternary amines gave polyacrylonitrile [poly(AN)] grafts having about one fourth the number-average molecular weight (M̄n) (178,000–232,000) of those produced by grafting AN onto starches containing the less basic tertiary amine groups. Sonification at 20 KHz of graft polymerization reaction mixtures having up to 8% solids reduced viscosities from 400–3000 cP to 10–40 cP. Diameters of dried particles measured about 300–1500 Å. Shaker-type agitation during grafting onto starch having quaternary amine groups produced poly(AN) chains with lower M̄n values than those produced during blade stirrer-type agitation. M̄n values of grafted poly(AN) decreased with increasing reaction time, degree of substitution of amine in the starch, gelation time of cationic starch at 95°C, and cerium (IV) concentration. AN was copolymerized with TBAEM at molar ratios of 14–85:1 in grafting onto gelatinized starch to yield copolymer side-chain grafts analyzing 8–52:1 of polymerized AN to TBAEM moieties.
Supplementary Figure 4 from Regulation of Cell Proliferation and Migration by Keratin19-Induced Nuclear Import of Early Growth Response-1 in Breast Cancer Cells (2023)

&lt;p&gt;Supplementary Figure 4 - PDF file 1098K, KRT19 inhibition does not down-regulate PTEN protein level through modulation of PTEN stability&lt;/p&gt;
Microstructure-Based Modeling of the Effect of Inclusion on the Bendability of Advanced High Strength Dual-Phase Steels (2021)

Advanced high strength dual-phase steels are one of the most widely sought-after structural materials for automotive applications. These high strength steels, however, are prone to fracture under bending-dominated manufacturing processes. Experimental observations suggest that the bendability of these steels is sensitive to the presence of subsurface non-metallic inclusions and the inclusions exhibit a rather discrete size effect on the bendability of these steels. Following this, we have carried out a series of microstructure-based finite element calculations of ductile fracture in an advanced high strength dual-phase steel under bending. In the calculations, both the dual-phase microstructure and inclusion are discretely modeled. To gain additional insight, we have also analyzed the effect of an inclusion on the bendability of a single-phase material. In line with the experimental observations, strong inclusion size effect on the bendability of the dual-phase steel naturally emerge in the calculations. Furthermore, supervised machine learning is used to quantify the effects of the multivariable input space associated with the dual-phase microstructure and inclusion on the bendability of the steel. The results of the supervised machine learning are then used to identify the contributions of individual features and isolate critical features that control the bendability of dual-phase steels.
AIRBORNE DIGITAL SENSORS – A NEW APPROACH (1999)

Digital imagery from satellites or multispectral and hyperspectral scanners is well accepted. Tremendous challenges are inherent in the development of a digital sensor to acquire imagery suitable for both high precision photogrammetric mapping and image processing for interpretative purposes. The performance of the film aerial camera is almost impossible to reach with current digital technology. Joint development work by LH Systems and Deutsches Zentrum fr Luft- und Raumfahrt (German Aerospace Centre) has produced encouraging results using forward-, nadir- and backward-looking linear arrays on the focal plane to provide panchromatic imagery and geometric information, supplemented by further arrays for multispectral data. The geometric characteristics of line scanner imagery necessitate line by line rectification for aircraft tilts and shifts. Satisfactory execution of this process depends on supplementary data from high performance, onboard GPS and inertial measurement systems. Simila...
Sepsis induces an early impairment of cerebral metabolism in a model of traumatic brain injury (TBI): a morpho-functional study with micro-PET in rat (2012)

Adembri, C.; Vitali, L.; Loriga, B.; Cecchi, G.; Pupi, A.; De Gaudio, A. R. Author Information
Long Period Fiber Gratings Inscribed by Periodically Tapering a Fiber (2014)

A promising technique for inscribing long period fiber gratings (LPFGs) was demonstrated by only using a commercial splicer. The commercial splicer was developed secondarily to build up a new program for periodically tapering a single mode fiber. High-quality LPFGs with a low insertion loss of ~1 dB and a large resonant attenuation of more than -30 dB were achieved. The achieved periodic tapers exhibited an excellent reproducibility with a small error of less than ±0.3 μm. To the best of our knowledge, it is the minimum reproducibility error of tapers achieved by arc discharge technique so far. Near mode fields of three LPFG samples with different pitches were observed to investigate the mode coupling in the taper-inscribed LPFGs. In addition, the resonant wavelengths of our taper-inscribed LPFGs exhibited a blue shift first and then red shift with an increased number of grating periods, resulting from residual stress relaxation together with physical deformation.
ADVANCED FLUE GAS CONDITIONING AS A RETROFIT UPGRADE TO ENHANCE PM COLLECTION FROM COAL-FIRED ELECTRIC UTILITY BOILERS (2002)

The U.S. Department of Energy and ADA Environmental Solutions are engaged in a project to develop commercial flue gas conditioning additives. The objective is to develop conditioning agents that can help improve particulate control performance of smaller or under-sized electrostatic precipitators on utility coal-fired boilers. The new chemicals will be used to control both the electrical resistivity and the adhesion or cohesivity of the fly ash. There is a need to provide cost-effective and safer alternatives to traditional flue gas conditioning with SO{sub 3} and ammonia. During this reporting quarter, performance testing of flue gas conditioning was underway at the PacifiCorp Jim Bridger Power Plant. The product tested, ADA-43, was a combination resistivity modifier with cohesivity polymers. This represents the first long-term full-scale testing of this class of products. Modifications to the flue gas conditioning system at Jim Bridger, including development of alternate injection lances, was also undertaken to improve chemical spray distribution and to avoid spray deposition to duct interior surfaces. Also in this quarter, a firm commitment was received for another long-term test of the cohesivity additives. This plant fires a bituminous coal and has opacity and particulate emissions performance issues related to fly ash re-entrainment. Ammonia conditioning is employed here on one unit, but there is interest in liquid cohesivity additives as a safer alternative.
Instantaneous Heart Rate Detection using Smart Phones Built-in Camera (2016)

The limited smart phone battery and computational resources demand efficient and low-power consumption algorithms for the instantaneous heart rate detection using phone built-in camera. A phase detector based method is proposed to improve the performance of heart rate detection software using built-in camera. The pulse wave detected by the camera is multiplied by a sine wave reference signal and then processed by a low pass filter to extract phase. The instantaneous heart rate is calculated based on the phase difference between every two adjacent cycles. Experimental results on an Android smart phone indicated that there is no obvious difference of instantaneous heart rate between the new method and the ECG method. Compared with derivative based and filter bank based algorithm the new algorithm consume less phone resource and obtain instantaneous heart rate more quickly.
Correlation between the 1∕f noise parameters and the effective low-field mobility in HfO2 gate dielectric n-channel metal–oxide–semiconductor field-effect transistors (2004)

In this work, the parameters extracted from the 1∕f noise in silicon n-channel metal–oxide–semiconductor field-effect transistors with different HfO2∕SiO2 gate stacks, corresponding with different equivalent oxide thickness (EOT) are reported and their relationship with the effective low-field mobility is studied. It is found that the 1.5nm EOT transistors show lower 1∕f noise, from which a lower effective trap density is derived, compared with their 2nm EOT counterparts. In addition, the gate stack with the higher trap density yields a lower mobility and a lower mobility scattering coefficient.