gebhart/patrepeval huggingface dataset:
ChemInform Abstract: Novel 3‐(4‐Piperidinylthio)‐1H‐indoles as Potent Nonopioid Orally Active Central Analgesics. (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.
Synthetic COVID-19 (2020)

Synthetic COVID-19 dataset, including 1186 chest CT images These data come from ‘Deep Learning for COVID-19 chest CT (computed tomography) image analysis’ The deep learning model used in the paper is CycleGAN, and the classification experiment is used to test the usability of the Synthetic COVID-19 dataset
1139. Novel Formulation SUBA-Itraconazole Prophylaxis in Patients With Hematological Malignancy or Undergoing Allogeneic Stem Cell Transplantation: Follow-up Survival Data (2018)

Abstract Background Despite the advantageous spectrum of activity of itraconazole, it is rarely used as a prophylactic agent due to limited bioavailability and intolerance of the conventional formulation. After the development of a novel formulation SUBA-itraconazole® (SUper BioAvailability), we undertook a study to assess therapeutic levels, safety, tolerability, and IFI rates of this novel formulation when compared with the conventional itraconazole liquid in patients undergoing allogeneic hematopoietic stem cell transplantation or in hematological malignancy patients. Methods Following a single-centre, prospective study of SUBA–itraconazole 200 mg BID vs. conventional liquid itraconazole 200 mg BID, the SUBA–itraconazole group was assessed 1-year postallogeneic stem cell transplant for incidence of IFI and survival. Results A total of 57 patients (29 SUBA–itraconazole and 30 liquid-itraconazole) were assessed. Therapeutic concentrations were achieved significantly more quickly in the SUBA–itraconazole group; median of 6 days vs. 14 (P &amp;lt; 0.0001). At day 10, therapeutic concentrations were achieved in 69% of the SUBA–itraconazole group vs. 21% (P &amp;lt; 0.0001). The mean trough serum concentrations at steady state of SUBA–itraconazole were significantly higher, with less interpatient variability (1,577 ng/mL, CV 35%) vs. (1,218 ng/mL, CV 60%) (P &amp;lt; 0.001). There were 2 (7.5%) treatment failures in the SUBA–itraconazole group, both due to cessation of therapy for mucositis, compared with 7 (23.3%) treatment failures in the liquid-itraconazole group, due to subtherapeutic levels (five), mucositis (one), and gastrointestinal intolerance (one) (P = 0.096). There was one confirmed IFI in the SUBA–itraconazole treatment failure group defined by a blood culture that yielded yeast; however, this was after the cessation of SUBA–itraconazole for mucositis. No other probable/possible IFIs were observed. After 1 year postallogeneic stem cell transplant in the SUBA–itraconazole group, there were two deaths (10%) due to disease progression and no further IFIs were reported. Conclusion The use of the SUBA–itraconazole formulation was a safe and effective prophylactic agent. It was associated with more rapid attainment of therapeutic levels with less interpatient variability when compared with conventional liquid itraconazole. Disclosures J. Lindsay, Mayne Pharma: Consultant, Consulting fee.
Technetium in AGB stars: spectral synthesis and observations (2004)

We present an overview on the current status of our atmosperic models for pulsating AGB stars. The dynamical models are in a transition from qualitative agreement with spectra to a status where quantitative conclusions can be drawn. The classical, hydrostatic models are used for the early type, small amplitude variable red giants. A recent result gained from observations is information on presence or absence of Technetium in the atmospheres of AGB stars. It is shown that many of the observed AGB giants which are above the threshold luminosity for the third dredge-up (TDU) do not show Tc in their spectra, independent of the galactic environment.
Improving Thermoelectric Properties of Chemically Synthesized Bi2Te3-Based Nanocrystals by Annealing (2010)

The power factors of chemically synthesized Bi2Te3 and Bi0.5Sb1.5Te3 nanocrystals (NCs) were improved up to 2.4 and 7.8 μW cm−1 K−2, respectively, which are significantly higher than previously reported values for chemically synthesized Bi2Te3 NCs and even comparable to the recently reported highest power factor of 5 μW cm−1 K−2 for Bi2Te3 NCs consolidated by spark plasma sintering. This improvement was achieved by annealing the NCs under argon protection, and the crystal structures and morphologies of these annealed NCs were characterized via XRD, SEM, and TEM measurements. The temperature-dependent thermoelectric properties of these modified NCs were explored on cold-pressed pellets of NCs. Improvement of the thermoelectric performances of the pellets resulted primarily from an increase in electrical conductivity (σ), while only weakly increasing the lattice thermal conductivity (κL), which was still kept lower than bulk values. Hall carrier concentration studies suggest that the improvement of the electrical conductivity is caused primarily by modification of the charge carrier mobility rather than the carrier concentration. A mechanism is proposed to explain a large increase of electrical conductivity by annealing related to a decrease of activation energy for the mobility after the removal of organic capping ligands through annealing.
Introduction to intrinsically disordered proteins and regions (2019)

Intrinsically disordered proteins (IDPs) and intrinsically disordered regions (IDRs) are fascinating dynamic conformational ensembles that are observed under physiological conditions. They facilitate a wide variety of biological processes via mechanisms that are distinct from their structured counterparts. Intrinsic disorder enables complex regulation using concerted molecular recognition, posttranslational modification, and alternative splicing. A broad analysis of IDRs reveals their central role in molecular recognition and cellular regulation. The diverse functions of IDRs are complemented by their diverse biophysical properties. Under the single moniker of disorder exist a variety of protein states that vary from protein-to-protein or for the same protein in different biological contexts. The biophysical and functional properties of IDRs are reflected in their composition, sequence complexity, and conservation. These sequence properties have been leveraged to design algorithms that accurately predict intrinsic disorder and certain molecular functions of disorder directly from the protein sequence.
Introduction and Simple Examples (1999)

The purpose of a mathematical model is to explain or predict some phenomenon in the “real world.” This real world is the one in which measurements and observations are made. These, in turn, may be informal such as the observation that a traffic jam always forms on a certain corner, or they may consist of precise measurements of the outcome of a physics experiment. By themselves, any measurements are meaningless; they must be put into some context to give them sense. This context is a model. Sometimes the model is in form of a verbal or visual model, but often it is, in fact, the mathematical model in question and assumes the form of equations. These equations may then be solved to obtain desired predictions. Of course, there are many cases in which the equations cannot be solved, but are used instead to derive properties of the solutions.
Comparison of apparent diffusion coefficient values among different MRI platforms: a multicenter phantom study (2013)

ADC values may differ among different MRI systems used for DW-MRI. Thus, the MRI vendor should be considered when using DW-MRI in a clinical setting.
A multiproxy approach to understanding the "enhanced" flux of organic matter through the oxygen-deficient waters of the Arabian Sea (2016)

Abstract. Free-drifting sediment net traps were deployed 14 times at depths between 80 and 500 m for 1–3 days each during the late monsoon–intermonsoon transition in the central Arabian Sea. Two locations (19.5 and 15.5° N) were within the permanently oxygen-deficient zone (ODZ), and a third (11° N) had a shallow and thin oxygen minimum. The secondary nitrite maximum, which serves as a tracer of the ODZ, thinned from ∼ 250 m thick at stations 19.5 and 15.5° N to ∼ 50 m thick at station 11° N. Overall, organic carbon fluxes ranged from 13.2 g m2 yr−1 at 80 m to a minimum of 1.1 g m2 yr−1 at 500 m. Fluxes at the more oxygenated 11° N station attenuate faster than within the permanent ODZ. Martin curve attenuation coefficients for 19.5 and 15.5° N are respectively 0.59 and 0.63 and for 11° N it is 0.98. At least six potential mechanisms might explain why particles sinking through the ODZ are more effectively transferred to depth: (M1) oxygen effects, (M2) microbial loop efficiencies and chemoautotrophy, (M3) changes in zooplankton dynamics, (M4) additions of ballast that might sorb and protect organic matter from decay (M4a) or change sinking speeds (M4b), (M5) inputs of refractory organic matter and (M6) temperature effects. These mechanisms are intertwined, and they were explored using a combination of mineral (XPS) and organic matter characterizations of the sinking material, shipboard incubation experiments, and evaluations of existing literature. Direct evidence was found supporting an oxygen effect and/or changes in the efficiency of the microbial loop including the addition of chemoautotrophic carbon to the sinking flux in the upper 500 m. Less direct evidence was found for the other potential mechanisms. A simple conceptual model consistent with our and other recent data suggests that the upper ODZ microbial community determines the initial flux attenuation, and that zooplankton and sinking speed become more important deeper in the water column. The exact interplay between the various mechanisms remains to be further evaluated.
Microglial Activation in the Neurodevelopment: A Narrative Review (2021)

Microglia are immune cells found in the central nervous system (CNS) involved in infection combat and cellular debris clean. These glial cells are involved in synaptogenesis during brain development by their interactions with neurons and other glial cells. These relations are associated with the secretion of signaling molecules, such as chemokines and neurotrophic factors. Microglia cells influence synapsis and neuron morphology during different phases of development. Also, other systems, for example, gut microbiota, indirectly affect microglial functions and morphology. Several factors that can occur in different development periods, including intrauterine through adult life, could impact microglia. Impairment in these cells could be associated with the development of some psychiatric conditions, such as schizophrenia, autistic spectrum disorder (ASD), and depression. This review focuses on describing microglia functions in the maintenance of CNS and how they are associated with other systems, as the gutmicrobiota brain axis and environmental stressors, such as stress, maternal deprivation, sleep deprivation, immune activation, and ethanol exposure, that can influence the function of the microglia during neurodevelopment.
Editorial: Advances in molecular biology, pathogenesis, diagnosis, vaccines, and treatment of diseases caused by apicomplexan parasites (2023)

EDITORIAL article Front. Cell. Infect. Microbiol., 28 April 2023Sec. Parasite and Host Volume 13 - 2023 | https://doi.org/10.3389/fcimb.2023.1205563
On the state-of-the-art of real-time GNSS signal acquisition &#x2014; A comparison of time and frequency domain methods (2010)

This paper summarizes what is needed to achieve a real-time -157 dBm GPS C/A signal acquisition sensitivity in ASIC and software receiver implementations for a cold and a warm start. Two receivers (one ASIC receiver working in the time domain and one PC software receiver working in the frequency domain) are implemented in a highly efficient way. The algorithms are outlined here and are tested with a GNSS signal simulator. Both use the same RF front end, operate on identical 2-bit samples and produce identical correlation results. The sensitivity comparison is completed by including some new commercial GPS chip evaluation boards in the test runs. We demonstrate the importance of narrow band and strong signal interference mitigation and investigate the role of the coherent integration time length as an important trade-off parameter.
Evidence-Based Detection of Advanced Persistent Threats (2018)

This paper presents an approach to the automation of cybersecurity operations centers with cognitive assistants that capture and automatically apply the expertise employed by cybersecurity analysts when they investigate advanced persistent threats. The goal is to significantly increase the probability of detecting intrusion activity while drastically reducing the workload of the operators.
A case study in database reliability (2008)

Data management lies at the core of most modern information technology deployments. Accordingly, the reliability of the database management system (DBMS) is critical to the reputation and success of both its vendors and their clients. However, there is a dearth of work in the literature focused on the reliability of the DBMS. More specifically, research is yet to be focused on the variables that influence DBMS reliability and the relationships between these variables.
Temperature Dependence of Intrinsic Channel Mobility in Indium-Gallium-Zinc-Oxide TFTs (2022)

This work reports on the development of a new TCAD material and device model for Indium-Gallium-Zinc-Oxide TFTs that accounts for operation from 150 K to room temperature, over applied gate and drain bias conditions up to 10 V. Specified defect state distributions include oxygen vacancy donors, conduction band-tail acceptor states, and acceptor-like interface traps. The presented model allows the TCAD simulation to account for the behavior of defect states according to defined energy distributions, thus properly regulating the amount of free channel charge. An intrinsic channel mobility defined as only a function of temperature was found to accurately represent extended state transport. The intrinsic channel mobility was 19 cm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> /V•s at room temperature, with a reduction to 9 cm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> /V•s at T = 150 K. The functional dependence reflects a thermally-activated diffusive mobility with a distinct activation energy E <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">a</sub> = 40 meV, that is shown to be independent of the Fermi level.
OS8-11 Development of Medium Small Reactor System (DMS) (2005)

Nuclear power is expected to become the main source for electric power generation in Japan for the reasons of energy security and prevention of CO_2 emission. Now, the recent slowdown in electric power demands and liberalization of the electric power market are accelerating medium and small sized reactor development. Furthermore, the needs of medium and small sized reactors have become greater in countries where electric grid systems are weak. Under these circumstances, Hitachi has developed a DMS (Double MS: Modular Simplified & Medium to Small Reactors) concept as a 400MWe class LWR (Light Water Reactor) supported by the Japan Atomic Power Company. The DMS design was based on proven technologies that require no large-scale development. Therefore, the DMS can be commercialized quickly. In this paper, we show the DMS plant systems.
Cycloaddition-mediated strategies for synthesis of perhydrobenzo[14,15]-14β-19-norsteroids (2000)

Methods are described for sequential cycloaddition–fragmentation–recombination and cycloaddition–rearrangement-mediated processes for synthesis of the title compounds. Reaction of methyl vinyl ketone with 3-methoxyestra-1,3,5(10),14,16-pentaen-17-yl acetate 1 gives a cycloadduct 2, which undergoes retroaldol cleavage followed by intramolecular Michael reaction, to generate 3-methoxy-5′,6′-dihydro-15αH-benzo[14,15]-14β-estra-1,3,5(10)-triene-4′(3′H),17-dione 4. Similarly, it is shown that various 16α-alkenyl-14α,17α-ethenoestradiols undergo ready [3,3]-sigmatropic rearrangement to give functional variants of this pentacyclic system. Synthetic routes to novel (perhydrobenzo)[14,15]-14β-analogues of estradiol are described, and aspects of the chemistry of 14β,16β-propano-19-norsteroids derived from alternative intramolecular reaction pathways are outlined.
Automated quality control process for tracking appropriateness of antiemesis. (2018)

317 Background: Quality tracking and improvement are areas of importance for delivery of high value patient care. Quality Oncology Practice Initiatives (QOPI) are tools designed by ASCO to help oncology practices deliver high quality care. Specifically, QOPI measure 29 tracks whether antiemetics are administered appropriately with moderate/high emetic risk chemotherapy. In this study, we attempted to automate this quality measure using an adapted Microsoft Structured Query Language (SQL) procedure. Our primary aim was to develop an efficient and cost effective system to track appropriate anti emesis that is adaptable to other cancer centers. A secondary aim was to quantify any degree of over treatment in anti emesis in our center. Methods: We created an SQL procedure which accessed the EPIC CLARITY database and used 9 steps to identify how many chemotherapy administrations in our center for the year 2017 were given sufficient, over, or under anti emesis. We adapted our center’s antiemesis guidelines from 2017 ASCO Clinical Practice Guideline Update for antiemetics. The program identified “pass”/”fail”/”pass(-)” for appropriate/insufficient/over treatment of anti emesis, respectively. Results: 1490 patient/chemotherapy encounters were found for 2017. 862/118/510 were high/intermediate/low emetic risk, respectively. 1314/14/162 chemotherapy administrations received “pass”/”fail”/”pass (-)”, respectively. The reason for 13 of 14 “fails” was lack of steroid in high emetic risk regimens. The primary reason for “pass (-)” was use of fosaprepitant in low/intermediate risk regimens. The time required to execute the program for all 1490 encounters was 40 seconds; the average time for manual review was 3 minutes per encounter. There was no discordance between “pass/fail” status in comparing automated and manual reviews. Conclusions: We have created an automated process which rapidly and accurately verifies adherence to QOPI measure 29. It eliminates time and costs associated with manual review. Further, this program saves costs by identifying areas of over treatment in anti emesis. We have demonstrated on a large scale an adaptable and shareable process for other centers using similar EMR databases.
H3-Receptor Antagonists:  Synthesis and Structure−Activity Relationships of Para- and Meta-Substituted 4(5)-Phenyl-2-[[2-[4(5)-imidazolyl]ethyl]thio]imidazoles (1997)

We report the synthesis, octanol/water partition coefficient (log P), dissociation constants (pKa), H3-receptor affinity (pKi in rat brain membranes, [3H]-N alpha-methylhistamine), and H3-antagonist potency (pA2 in guinea ileum, (R)-alpha-methylhistamine) of novel H3-receptor antagonists obtained by introducing a para or meta substituent on the phenyl ring of the lead compound 4(5)-phenyl-2-[[2-[4(5)-imidazolyl]ethyl]thio]imidazole (3a). The substituents were chosen to obtain broad and uncorrelated variation in their lipophilic, electronic, and steric properties. The log P values of the neutral species cover almost 3 orders of magnitude (from 1.40 to 4.11). The pKa,2 values (protonation of the 2-thioimidazole fragment) vary from 3.13 to 4.34, indicating that this fragment, which incorporates the so-called polar group common to many H3-receptor antagonists, is neutral at physiological pH. The compounds had pKi values in a range too narrow (from 7.28 to 8.03) to derive QSAR equations. In one case (3g), a biphasic displacement curve was observed (pKi,1 = 8.53; pKi,2 = 6.90). The pA2 values ranged 2 orders of magnitude (from 6.83 to 8.87) and yielded a QSAR model (PLS) indicating that antagonist potency depends parabolically on lipophilicity and is decreased by bulky para substituents. The compounds of this series, therefore, maintain a fair-to-good affinity for rat brain H3-receptor and a fair-to-good H3-antagonist potency on guinea pig ileum, although varying markedly in their lipophilicity. The series thus appears as a good candidate for pharmacokinetic optimization leading to brain-penetrating H3-receptor antagonists.
Facile Synthesis of Lanthanide (Ce, Eu, Tb, Ce/Tb, Yb/Er, Yb/Ho, and Yb/Tm)‐Doped LnF3 and LnOF Porous Sub‐Microspheres with Multicolor Emissions (2017)

Monodisperse YF<sub>3</sub> and YOF porous sub-microspheres were synthesized by using a novel sacrificing template method with amorphous Y(OH)CO<sub>3</sub> ⋅x H<sub>2</sub> O as the precursors and the template. It was found that the size and shape were well maintained, and the condensed precursor was transformed into uniform porous structures after fluoridation. By fine-tuning the feed of the fluorine source, the final product could be converted from YF<sub>3</sub> to YOF. A possible growth mechanism is proposed for the uniform porous YF<sub>3</sub> structure and the porous yolk-shell-like YOF structure. The luminescence properties showed that the as-synthesized YF<sub>3</sub> :Ln<sup>3+</sup> (Ln=Eu, Tb, Ce, Ce/Tb, Yb/Er, Yb/Ho, and Yb/Tm) products exhibited strong multicolor emissions, which included down-/upconversion and energy-transfer processes. Additionally, YOX (X=Cl and Br) could be obtained if a different halogen source was used during calcination. However, the spheres were almost completely destroyed. Our novel synthetic route can also be extended to other lanthanide fluorides (REF<sub>3</sub> , RE=Gd, Lu), which may open a facile way to fabricate novel porous nanostructures.