gebhart/patrepeval huggingface dataset:
Molecular Weight Dependence of Antibacterial Activity in Cationic Disinfectants (1990)

New oligomers of in-chain quaternary ammonium salts as well as polymers were examined for antibacterial activity with special attention to the effect of their molecular weights. Two sets of homologs with different spacer structures were prepared: one with a rigid p-xylylene spacer and the other with a flexible hexamethylene spacer. It was found that the activity depends strongly on the molecular weight and that both bacteriostatic and bacteri cidal activity increase in the order of monomer — dimer &lt; trimer &lt; tetramer &lt; polymer.
ChemInform Abstract: VINYL HYDROGEN ACTIVATION IN MONO‐ AND DINUCLEAR (η5‐CYCLOPENTADIENYL)(HEXATRIENE)COBALT COMPLEXES. THERMAL AND PHOTOCHEMICAL HYDROGEN SHIFTS OF COMPLEMENTARY STEREOCHEMISTRY (1983)

Abstract Der trans‐Co‐Komplex (I) dimerisiert (im Gegensatz zu seinem isostrukturellen Rh‐Analogen und dem sehr stabilen Fe‐tricarbonyl‐Gegenstück) in 24 h bei 60°C zu dem Carbenkomplex (II),der bei höheren Temp. quantitativ durch eine unerwartete I,5‐Wasserstoffverschiebung zu (III) isomerisiert.
The Mechanism of Activation of a [NiFe]-Hydrogenase by Electrons, Hydrogen, and Carbon Monoxide (2005)

Activation of the oxidized inactive state (termed Unready or Ni(u)) of the [NiFe]-hydrogenase from Allochromatium vinosum requires removal of an unidentified oxidizing entity [O], produced by partial reduction of O(2). Dynamic electrochemical kinetic studies, subjecting enzyme molecules on an electrode to sequences of potential steps and gas injections, establish the order of events in an otherwise complex sequence of reactions that involves more than one intermediate retaining [O] or its redox equivalent; fast and reversible electron transfer precedes the rate-determining step which is followed by a reaction with H(2), or the inhibitor CO, that renders the reductive activation process irreversible.
Sensitivity analysis of Jacobian determinant used in treatment planning for lung cancer (2018)

Four-dimensional computed tomography (4DCT) is regularly used to visualize tumor motion in radiation therapy for lung cancer. These 4DCT images can be analyzed to estimate local ventilation by finding a dense correspondence map between the end inhalation and the end exhalation CT image volumes using deformable image registration. Lung regions with ventilation values above a threshold are labeled as regions of high pulmonary function and are avoided when possible in the radiation plan. This paper investigates a sensitivity analysis of the relative Jacobian error to small registration errors. We present a linear approximation of the relative Jacobian error. Next, we give a formula for the sensitivity of the relative Jacobian error with respect to the Jacobian of perturbation displacement field. Preliminary sensitivity analysis results are presented using 4DCT scans from 10 individuals. For each subject, we generated 6400 random smooth biologically plausible perturbation vector fields using a cubic B-spline model. We showed that the correlation between the Jacobian determinant and the Frobenius norm of the sensitivity matrix is close to -1, which implies that the relative Jacobian error in high-functional regions is less sensitive to noise. We also showed that small displacement errors on the average of 0.53 mm may lead to a 10% relative change in Jacobian determinant. We finally showed that the average relative Jacobian error and the sensitivity of the system for all subjects are positively correlated (close to +1), i.e. regions with high sensitivity has more error in Jacobian determinant on average.
Mobility Load Management in Cellular Networks: A Deep Reinforcement Learning Approach (2021)

Balancing traffic among cellular networks is very challenging due to many factors. Nevertheless, the explosive growth of mobile data traffic necessitates addressing this problem. Due to the problem complexity, data-driven self-optimized load balancing techniques are leading contenders. In this work, we propose a comprehensive deep reinforcement learning (RL) framework for steering the cell individual offset (CIO) as a means for mobility load management. The state of the LTE network is represented via a subset of key performance indicators (KPIs), all of which are readily available to network operators. We provide a diverse set of reward functions to satisfy the operators' needs. For a small number of cells, we propose using a deep Q-learning technique. We then introduce various enhancements to the vanilla deep Q-learning to reduce bias and generalization errors. Next, we propose the use of actor-critic RL methods, including Deep Deterministic Policy Gradient (DDPG) and twin delayed deep deterministic policy gradient (TD3) schemes, for optimizing CIOs for a large number of cells. We provide extensive simulation results to assess the efficacy of our methods. Our results show substantial improvements in terms of downlink throughput and non-blocked users at the expense of negligible channel quality degradation.
Synthesis of Unsymmetrical Chiral Triaza-18-crown-6 and Diaza-12-crown-4 with a Pendant Group (2000)

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTSynthesis of Unsymmetrical Chiral Triaza-18-crown-6 and Diaza-12-crown-4 with a Pendant GroupChi-Wan Lee, Eun Jin Jung, Seok Jong Lee, Kyo Han Ahn, and Kwang S. KimView Author Information Department of Chemistry, Center for Superfunctional Materials, Pohang University of Science and Technology, Pohang 790-784, Korea [email protected]Cite this: J. Org. Chem. 2000, 65, 21, 7225–7227Publication Date (Web):September 19, 2000Publication History Received19 May 2000Published online19 September 2000Published inissue 1 October 2000https://pubs.acs.org/doi/10.1021/jo000766hhttps://doi.org/10.1021/jo000766hbrief-reportACS PublicationsCopyright © 2000 American Chemical SocietyRequest reuse permissionsArticle Views386Altmetric-Citations10LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information SUBJECTS:Alcohols,Anions,Ethers,Hydroxyls,Macrocyclic compounds Get e-Alerts
Properties of Phosphoribulokinase from Thiobacillus neapolitanus (1972)

Partially purified preparations of ribulose-5-phosphate kinase (specific activity, 50 to 125 mumoles per min per mg of protein) were employed in a series of kinetic experiments in the presence of several concentrations of H(+), Mg(2+), adenosine triphosphate (ATP), and phosphoenolpyruvate (PEP). The pH optimum of the enzyme was found to be 7.9; at this pH and above, response of the enzyme to variations in ATP concentration was hyperbolic, exhibiting a K(m) of 7 x 10(-4)m ATP. At pH values below the optimum the response to ATP was sigmoidal, as it was throughout the entire pH range in the presence of PEP at a concentration greater than 5 x 10(-4)m. In the presence of PEP the pH optimum shifted to pH 8.4. In contrast, phosphoribulokinase from spinach exhibited hyperbolic responses throughout its pH range with no inhibition caused by PEP. Thiobacillus neapolitanus phosphoribulokinase was inhibited by PEP in a sigmoidal manner; however, in the presence of suboptimal concentrations of Mg(2+) the addition of PEP caused significant stimulation of activity. It is postulated that the enzyme consists of interacting subunits with several sites on the enzyme for binding ATP and with several separate sites binding PEP. It is suggested that PEP functions as a regulator of CO(2) fixation when the organism is under conditions of unlimited concentrations of substrate and CO(2).
Modelling and Co-simulation of hybrid vehicles: A thermal management perspective (2020)

Thermal management plays a vital role in the modern vehicle design and delivery. It enables the thermal analysis and optimisation of energy distribution to improve performance, increase efficiency and reduce emissions. Due to the complexity of the overall vehicle system, it is necessary to use a combination of simulation tools. Therefore, the co-simulation is at the centre of the design and analysis of electric, hybrid vehicles. For a holistic vehicle simulation to be realized, the simulation environment must support many physical domains. In this paper, a wide variety of system designs for modelling vehicle thermal performance are reviewed, providing an overview of necessary considerations for developing a cost-effective tool to evaluate fuel consumption and emissions across dynamic drive-cycles and under a range of weather conditions. The virtual models reviewed in this paper provide tools for component-level, system-level and control design, analysis, and optimisation. This paper concerns the latest techniques for an overall vehicle model development and software integration of multi-domain subsystems from a thermal management view and discusses the challenges presented for future studies.
FRET-Based Probe for High-Throughput DNA Intercalator Drug Discovery and In Vivo Imaging (2021)

Molecules that bind DNA by intercalating its bases remain among the most potent cancer therapies and antimicrobials due to their interference with DNA-processing proteins. To accelerate the discovery of novel intercalating drugs, we designed a fluorescence resonance energy transfer (FRET)-based probe that reports on DNA intercalation, allowing rapid and sensitive screening of chemical libraries in a high-throughput format. We demonstrate that the method correctly identifies known DNA intercalators in approved drug libraries and discover previously unreported intercalating compounds. When introduced in cells, the oligonucleotide-based probe rapidly distributes in the nucleus, allowing direct imaging of the dynamics of drug entry and its interaction with DNA in its native environment. This enabled us to directly correlate the potency of intercalators in killing cultured cancer cells with the ability of the drug to penetrate the cell membrane. The combined capability of the single probe to identify intercalators <i>in vitro</i> and follow their function <i>in vivo</i> can play a valuable role in accelerating the discovery of novel DNA-intercalating drugs or repurposing approved ones.
Use of high‐molecular‐mass polyacrylamides as matrices for microchip electrophoresis of DNA fragments (2003)

DNA fragment analysis requires the use of polymer solutions as sieving matrices. Generally, such matrices are constituted of high-molar-weight polymers employed at a concentration higher than their entanglement threshold concentration. These polymer solutions are highly viscous and difficult to use in the narrow channels of a microchip. Ultralarge polyacrylamides synthesized via a nonconventional method, being the low-temperature plasma-induced polymerization (PIP), were used as DNA sieving matrices for microchip electrophoresis. The distinctive features of these polymers (ultralarge molecular mass and linearity) allow their use at a dilute concentration. Dilute PIP polyacrylamides revealed a constant value of resolution in a broad range of DNA fragment sizes (123 bp-1353 bp), thus proving to be effective in common genotyping applications. Moreover, the low viscosity of the dilute solutions enable it to be easier and faster in filling the channel between runs, thus enhancing the throughput of the microchip devices.
Clinical Activity and Tolerability of SL-401 (Tagraxofusp): Recombinant Diphtheria Toxin and Interleukin-3 in Hematologic Malignancies (2019)

Overcoming the leukemia stem cell resistance to intensive chemotherapy has been an area of extensive research over the last two decades. Advances and greater understanding of the molecular biology of leukemia stem cells are in rapid progress. Targeted therapies are currently being used in clinical practice with reasonable response rates, but a cure is being achieved in only a small percentage of patients, most likely due to tumor mutational heterogeneity. A genetically engineered diphtheria toxin fused with interleukin-3 (SL-401 or tagraxofusp) has shown robust activity in blastic plasmacytoid dendritic cell neoplasm and promising response rates in different myeloid malignancies, including eradication of minimal residual disease. Multiple clinical trials are being conducted using this drug and the preliminary results are encouraging. This article reviews the clinical trials for SL-401, its mechanism of action, clinical activity, and the adverse event profile.
Recognizing text using motion data from a smartwatch (2016)

In this paper, we show how motion data collected with a smartwatch can be used to infer text written on a whiteboard. All data is gathered by a commercial, off the shelf smartwatch, without any additional hardware. We obtain single letters recognition rates of 94% in the first guess. Using three guesses, we recognize 99% of the letters. This result is achieved by transforming raw sensor measurements into a coordinate system reflecting the orientation of the whiteboard. Therefore, training data recorded on one whiteboard can be used on another even if the user is writing at different heights or body postures. We show that the built in microphone picks up the sounds caused by the pen which can help to segment the input into individual letters.
Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties (2014)

Lutidine-derived bis-N-heterocyclic carbene (NHC) ruthenium CNC-pincer complexes (Ru-CNC's) were prepared. Depending on the synthetic procedure, normal (1, 2) or mixed normal/abnormal NHC-complexes (3) are formed. In the presence of phosphazene base, Ru-CNC complexes activate nitriles to give ketimino compounds 4-6. Nitrile adduct 4 shows reactivity toward strong bases to yield dearomatized complex 7, which heterolytically activates H2 to form the bis-hydrido complex 8. Finally, these Ru-CNC's are active in catalytic hydrogenation of CO2 to formate salts, and unlike the phosphine-containing Ru-PNP counterpart, they also catalyze the selective hydrogenation of esters to alcohols.
Solid-state welding of metals with application of high density current pulses (2008)

The results of solid-state welding of homogeneous and heterogeneous metals with application of high density current pulses are presented. A chart of the current treatment allowing obtaining of the welded joint at its heating in an air atmosphere is proposed. The influence of alternating and unipolar current on the deformation of contact surface microroughnesses in the welding zone is considered. The basic parameters of the pulse current and the specific energy of the treatment of steel and copper samples that ensure obtaining of the welded joint are determined.
[FK228 promotes the IL-3 mediated proliferation and differentiation of human erythroid progenitor cells]. (2008)

FK228 can promote the IL-3 mediated proliferation and differentiation of human erythroid progenitor cells.
An equalizer with carrier‐acquisition‐during‐training (CAT) algorithm for mobile radio (1992)

Abstract This paper investigates an adaptive equalizer with carrier frequency offset compensation for digital mobile radio transmission over several tens kbit/s. The performance of conventional adaptive equalizers for mobile radio severely degrades for receiving signals having carrier frequency offset which is caused by local oscillator frequency offset due to misadjustment, temperature dependence, and aging. Carrier frequency offset compensation for TDMA burst signaling requires both accurate and short‐time measurements. However, both requirements have a tradeoff relationship and must be optimized. This paper proposes the carrier‐acquisition‐during‐training (CAT) algorithm for transmissions allowing a training signal. First, two basic configurations and their equivalence are discussed. Next, computer simulations and real‐time experiments with one‐chip DSP show the effectiveness of CAT by demonstrating training convergence, optimum parameter characteristics, and average BER performance under two‐path selective fading with one‐symbol delay difference and independent Rayleigh components.
Fluorescence imaging of the living heart for understanding the basis of arrhythmias (2019)

Recent outstanding progress in microscopic imaging technology and the advent of fluorescent probes have enabled us to visualize high spatiotemporal dynamics of intracellular molecules in living tissues. Here I introduce our research outcomes on functional fluorescence imaging of the heart especially for understanding the pathogenesis of cardiac arrhythmias. On the in situ Ca<sup>2+</sup> imaging of perfused rat heart by rapid-scanning confocal microscopy, we found that burst emergence of intracellular Ca<sup>2+</sup> waves evokes arrhythmogenic triggered activity and subsequent oscillatory depolarizations via the Na<sup>+</sup>-Ca<sup>2+</sup> exchanger. Besides, impairment of Ca<sup>2+</sup> release from the sarcoplasmic reticulum leads to emergence of Ca<sup>2+</sup> waves and spatiotemporally inhomogeneous Ca<sup>2+</sup> dynamics on systole, resulting in beat-to-beat Ca<sup>2+</sup> alternans. Such alternating behaviors of Ca<sup>2+</sup> dynamics are partly due to poor development of the transverse tubules, which are identified in murine atria and failing ventricular myocytes. In addition, impairment of the gap junctional communication via connexin 43 induced by dominant negative inhibition of neonatal rat ventricular myocyte monolayers results in generation of spiral wave reentry, suggesting the pivotal role of intercellular communications in genesis of arrhythmias. Furthermore, alterations in atrial histoanatomy, e.g., density and arrangements of myocytes and distribution of Cx43, could provide intrinsic arrhythmogenic bases of atrial fibrillation, which was revealed by combined optical imaging of the atria and precise histoanatomical examinations. In combination, fluorescence imaging of the living organisms provides indispensable information for unveiling functions and disease states.
Optimal sensor location for detecting changes in dynamical behavior (1987)

We address the problem of optimal sensor location for monitoring the eigenstructure of a multivariable dynamical system. The criterions which are optimized are the power of new tests designed for detecting and diagnosing changes in the eigencharacteristics of a system [3], [12]. The key points are the choice of the parameterization for computing the criterion and the comparison of designs with a different number of sensors. The discussion of the numerical results for sensor location includes the analysis of the effect of the geometry of the unknown excitation.
The binding properties of two antitumor ruthenium(III) complexes to apotransferrin. (1994)

The interaction of two ruthenium(III) complexes exhibiting high anticancer activity, namely trans-indazolium(bisindazole)tetrachlororuthenate(III) (ru-ind) and trans-imidazolium(bisimidazole)tetrachlororuthenate(III) (ru-im), with human serum apotransferrin has been investigated through spectroscopic and chromatographic techniques with the ultimate goal of preparing adducts with good selectivity for cancer cells. Whereas the binding of ru-im to human serum apotransferrin takes several hours, ru-ind, the less toxic complex, gives rise to a well defined 2:1 complex within a few minutes. We have ascertained that ru-ind binding occurs around the iron binding sites; binding does not occur in the absence of bicarbonate, and this anion dictates the kinetic and mechanistic characteristics of protein binding of ru-ind. The two ruthenium(III) complexes do not behave as iron(III) complexes, e.g. Fe(EDTA) or Fe(nitrilotriacetate), which lose their respective ligands when binding apotransferrin, but the N-heterocycles remain attached to the metal in the protein-bound species. Reversion of binding is obtained by acidification in the presence of chelators such as citrate or ATP. In comparison with cisplatin and its deactivation by serum proteins, our results indicate that other metal complexes such as ru-ind could use transferrin as a drug delivery system. Furthermore, the rapid protein binding of ru-ind seems to be related to a lower toxicity while still exhibiting high antitumor activity.
Treatment of Distal Anterior Circulation Aneurysms With the Pipeline Embolization Device (2015)

ACA, anterior cerebral arteryAcomA, anterior communicating arteryDSA, digital subtraction angiographyMCA, middle cerebral arterymRS, modified Rankin scalePED, Pipeline embolization device.
Growth and end‐product formation in fermenter cultures of Brochothrix thermosphacta ATCC 11509 T and two psychrotrophic Lactobacillus spp. in different gaseous atmospheres (1984)

The effects of different gaseous atmospheres were determined on the maximum specific growth rate (mumax) and end-product formation by Brochothrix thermosphacta ATCC 11509T, Lactobacillus viridescens SMRICC 174 and Lactobacillus sp. SMRICC 173 (homofermentative). The highest mumax-values for Lact. viridescens (0.47/h) and Broc. thermosphacta (0.49/h) were obtained in air. Under anaerobic conditions mumax was reduced, an atmosphere containing CO2 alone giving the greatest reduction. Lactobacillus sp. 173 did not grow in air or N2. Aerobic growth was obtained by adding peroxidase while anaerobic growth occurred in the presence of 5-20% CO2. Carbon dioxide alone reduced the growth rate. All test organisms produced mainly lactic acid anaerobically. Lactobacillus viridescens also produced ethanol while Broc. thermosphacta produced small amounts of ethanol and formic acid. With O2 present, the number of end-products increased for all organisms. Lactobacillus sp. 173 produced small amounts of acetic acid and acetoin together with lactic acid. Oxygen induced acetic acid production in Lact. viridescens and Broc. thermosphacta. Aerobically, Broc. thermosphacta also produced a large amount of acetoin and smaller amounts of 2,3-butanediol, iso-valeric acid and iso-butyric acid. The production of lactic acid by Broc. thermosphacta was completely prevented under strictly aerobic conditions. All test organisms consumed O2 during aerobic growth. Hydrogen peroxide was produced by Lact. viridescens and Lactobacillus sp. 173.