gebhart/patrepeval huggingface dataset:
Computational methods for the study of enzymic reaction mechanisms III: A perturbation plus QM/MM approach for calculating relative free energies of protonation (2005)

We describe a coupling parameter, that is, perturbation, approach to effectively create and annihilate atoms in the quantum mechanical Hamiltonian within the closed shell restricted Hartree-Fock formalism. This perturbed quantum mechanical atom (PQA) method is combined with molecular mechanics (MM) methods (PQA/MM) within a molecular dynamics simulation, to model the protein environment (MM region) effects that also make a contribution to the overall free energy change. Using the semiempirical PM3 method to model the QM region, the application of this PQA/MM method is illustrated by calculation of the relative protonation free energy of the conserved OD2 (Asp27) and the N5 (dihydrofolate) proton acceptor sites in the active site of Escherichia coli dihydrofolate reductase (DHFR) with the bound nicotinamide adenine dinucleotide phosphate (NADPH) cofactor. For a number of choices for the QM region, the relative protonation free energy was calculated as the sum of contributions from the QM region and the interaction between the QM and MM regions via the thermodynamic integration (TI) method. The results demonstrate the importance of including the whole substrate molecule in the QM region, and the overall protein (MM) environment in determining the relative stabilities of protonation sites in the enzyme active site. The PQA/MM free energies obtained by TI were also compared with those estimated by a less computationally demanding nonperturbative method based on the linear response approximation (LRA). For some choices of QM region, the total free energies calculated using the LRA method were in very close agreement with the PQA/MM values. However, the QM and QM/MM component free energies were found to differ significantly between the two methods.
Phase III Trial Comparing Protracted Intravenous Fluorouracil Infusion Alone or With Yttrium-90 Resin Microspheres Radioembolization for Liver-Limited Metastatic Colorectal Cancer Refractory to Standard Chemotherapy (2010)

Radioembolization with (90)Y-resin microspheres plus FU is well tolerated and significantly improves TTLP and TTP compared with FU alone. This procedure is a valid therapeutic option for chemotherapy-refractory liver-limited mCRC.
REVIEWS François Villon. By BRUNELLIG. A.; con bibliografia e indici a cura di MORABITOP.. Milano: Marzorati. 1961. 298 pp. 3000 lire. (1963)

Journal Article REVIEWS Get access François Villon. By G. A. BRUNELLI; con bibliografia e indici a cura di P. MORABITO. Milano: Marzorati. 1961. 298 pp. 3000 lire. D. M. STEWART D. M. STEWART OXFORD Search for other works by this author on: Oxford Academic Google Scholar French Studies, Volume XVII, Issue 3, July 1963, Pages 249–250, https://doi.org/10.1093/fs/XVII.3.249 Published: 01 July 1963
Lysis of tumor cells by natural killer cells in mice is impeded by platelets. (1999)

Natural killer (NK) cells provide effective antitumoral activity in the blood stream of mice, leading to reduced metastasis. There are, however, tumor cells that metastasize despite the presence of an intact NK system. The capability of tumor cells to induce platelet aggregation, on the other hand, correlates with their enhanced metastatic potential. A counteractive role of platelets for the NK function in metastasis has never been conceived. Here we demonstrate for the first time that platelets directly protect tumor cells from NK lysis in vitro as well as in vivo. Using three different tumor cell lines in a mouse model of experimental metastasis, tumor seeding in the target organs was reduced when the host was platelet depleted, but only if the tumor cells were NK sensitive. Aggregation of platelets around tumor cells also inhibited in vitro NK tumorilytic activity. This protection of tumor cells by platelets was mouse strain independent and was equally observed with platelets from beta2-microglobulin-deficient mice, excluding a NK inhibitory function of MHC class I on platelets. Thus, even if tumor cells are NK susceptible and cytotoxic NK cells threaten their survival in the blood, platelets are capable of protecting them from cytolysis, thereby promoting metastasis. Surface shielding by platelet aggregates seems to be the main mechanism of this protection.
Differential Requirements for VirB1 and VirB2 during <i>Brucella abortus</i> Infection (2004)

The Brucella abortus virB operon, encoding a type IV secretion system (T4SS), is required for intracellular replication and persistent infection in the mouse model. The products of the first two genes of the virB operon, virB1 and virB2, are predicted to be localized at the bacterial surface, where they could potentially interact with host cells. Studies to date have focused on characterization of transposon mutations in these genes, which are expected to exert polar effects on downstream genes in the operon. In order to determine whether VirB1 and VirB2 are required for the function of the T4SS apparatus, we constructed and characterized nonpolar deletion mutations of virB1 and virB2. Both mutants were shown to be nonpolar, as demonstrated by their ability to express the downstream gene virB5 during stationary phase of growth in vitro. Both VirB1 and VirB2 were essential for intracellular replication in J774 macrophages. The nonpolar virB2 mutant was unable to cause persistent infection in the mouse model, demonstrating the essential role of VirB2 in the function of the T4SS apparatus during infection. In contrast, the nonpolar virB1 mutant persisted at wild-type levels, showing that the function of VirB1 is dispensable in the mouse model of persistent infection.
Activated Protein C Resistance: The Most Common Risk Factor for Venous Thromboembolism (2000)

Family physicians have a new tool for assessing risks for venous thromboembolism. Recognizing that up to 64% of patients with venous thromboembolism can have APC-R and treating this disorder with prophylactic and therapeutic anticoagulation might reduce patient morbidity and mortality from venous thromboembolism. Screening high-risk patients might now be indicated.
Cloning and molecular characterization of the DNA ligase gene (lig) from Zymomonas mobilis (1992)

The Zymomonas mobilis lig gene that encodes DNA ligase was cloned from a cosmid library and identified by genetic complementation of a conditional-lethal Escherichia coli DNA ligase mutant. Nucleotide sequence analysis of the Z. mobilis lig region indicated that the gene is 2196 bp long, encoding a protein with a deduced molecular mass of 82,089. The primary amino acid sequence of the Z. mobilis ligase is 48% identical to the E. coli enzyme. Two genes located upstream of lig were identified as tgt, encoding tRNA guanine transglycosylase and uvrB, encoding the beta subunit of excision endonuclease. Computer searches did not reveal any transcriptional terminators in the 46-bp tgt-lig intergenic region, suggesting that lig may be cotranscribed with one or more upstream genes. Weak expression of lig is explained in part by frequent use of codons that are known to be rarely used in the highly expressed glycolytic gene set.
Platelets and Atherosclerosis (1988)

This discussion has centered about the consequences of the loss of endothelial integrity and how the blood platelet behaves under these circumstances. It is clear that the platelet can function as a participant in the development of the atherosclerotic lesion, can be an important contribution to mechanisms that operate to produce vascular spasm, and ultimately can play a major role in the development of thrombosis at the site of the complicated end-stage atherosclerotic lesion.
Ready for multi-beam exposure at 5kV on MAPPER tool: lithographic and process integration performances of advanced resists/stack (2015)

Maskless electron beam lithography is an attractive solution to address sub-90 nm technology nodes with high throughput and manufacturing costs reduction. One of the key challenges is to meet entirely process/integration specifications in terms of resolution, resist sensitivity, roughness and etch transfer into underlayers. In this paper, we evaluate and identify the optimal stack to fit printing performance using e-beam exposures and etch transfer patterning. Besides imaging performance, other key parameters such as outgassing and charge dissipation due to high current density are also considered to fully achieve targets for the machine developed by MAPPER Lithography.
The use of monoclonal anti-T cell antibodies to study T cell imbalances in human diseases. (1981)

Monoclonal antibodies are now available to evaluate human T cell subsets by direct counting using indirect immunofluorescence analysis. The critical use of these antibodies has already permitted the delineation of the T cell imbalances present in a number of immunologically mediated diseases such as autoimmune haemolytic anaemia, chronic active hepatitis, myasthenia gravis, glomerulonephritides, multiple sclerosis, leprosy, or immunodeficiency syndromes. The potential diagnostic and therapeutic application of this new methodology are emphasized.
Receiver sensitivity improvement by impulsive coding (1997)

We show that optical receivers operated impulsively are more sensitive than for nonreturn-to-zero (NRZ) operation. Impulsive sensitivity improvements of 5.8 and 4.7 dB are measured for two pin-FET receivers using a modelocked laser transmitter, and compared to theoretical expressions for the NRZ and impulsive Q-factors. We also show that the optimum detection bandwidth for impulsive coding is larger than for NRZ, in contrast to previous models.
Innovative Tank Management System based on DCS (2010)

The Distributed Control System is being widely used in Power, Steel manufacturing, Oil and Gas, and Petrochemicals for monitoring, advance process control, regulatory and sequential control and various other functions. DCS is operated either in single mode and or it is interfaced with other systems such as PLC, SCADA, and Etc for enhanced functionality. Developing Distributed Control System is a major industrial concern since those systems are more and more complex and involved in many safety critical application fields. Tank Gauging by DCS is much more than just automated inventory management, it's about having more control over your fuelling operation, collecting accurate information from your sites with less effort and allowing you to make better decisions about your assets. This paper focuses on an innovative and intelligent DCS based Tank Gauging Control system that has been designed, implemented and commissioned in large tank farm oil terminal after case study in international standards. The main scopes of DCS are described in this paper.
Piezoelectric and Electrostrictive Materials for Transducers Applications. Volume 1 (1992)

Abstract : Contents: Distribution Functions of Coexisting Phases in a Complete Solid Solution System; The Glassy Behaviour of Relaxor Ferroelectrics; The Dielectric Relaxation of Lead Magnesium Niobate Relaxor Ferroelectrics; Anelastic Relaxation and Internal Strain in Lead Magnesium Niobate Relaxors; Dipolar-Glass Model for Lead Magnesium Niobate, Ferroelectric Properties of Lead Barium Niobate Compositions Near the Morphotropic Phase Boundary, Pyroelectric Properties of Lead Barium Niobate Single Crystals, Microstructure-Property Relations in Tungsten Bronze Lead Barium Niobate, Pb(1-x)BaxNb2O6, An Investigation of the Lead Scandium Tantalate-Lead Titanate Solid Solution System, Pyroelectric Response and Depolarization Behaviour of (1-x)Pb(Sc(1/2) Ta(1/2)O3 - (x)PbTiO3 Materials, Pyroelectric and Dielectric Properties of PMN- Based Ceramics Under DC Bias, Chemical Reactions of Lead Magnesium Niobate Titanate in the Presence of a Glass, La2Ti2O7 Ceramics, Effects of pH and H2O2 Upon Coprecipitated PbTiO3 Powders, and Kinetics of the Hydrothermal Crystallization of the Perovskite Lead Titanate.
AZD6244 (ARRY-142886) enhances the therapeutic efficacy of sorafenib in mouse models of gastric cancer (2009)

Gastric cancer is a deadly disease for which current therapeutic options are extremely limited. Vascular endothelial growth factor receptors and platelet-derived growth factor receptors regulate gastric cancer cell proliferation, invasion, and tumor angiogenesis. In the present study, we report that sorafenib therapy effectively inhibited tumor growth and angiogenesis in tumor xenografts. These were associated with reduction in the phosphorylation of vascular endothelial growth factor receptor-2 Tyr951, c-Kit Tyr568/570, platelet-derived growth factor receptor-beta Tyr1021, and Akt Ser473 and Thr308, down-regulation of positive cell cycle regulators, increased apoptosis, and up-regulation of p27. Sorafenib treatment also caused up-regulation of p-c-Raf Ser338 and p-extracellular signal-regulated kinase (ERK) Thr202/Tyr204 in gastric cancer xenografts. The combination of sorafenib and MAP/ERK kinase inhibitor AZD6244 enhances the effectiveness of each compound alone. Potential effect of sorafenib/AZD6244 included increase in proapoptotic Bim. Our data show that MAP/ERK kinase inhibition enhances the antitumor activity of sorafenib in vivo, supporting a rationale for multitargeted suppression of the angiogenesis and ERK signaling network in gastric cancer therapy.
Development of a Scalable Synthesis for an Inhaled pan-JAK Inhibitor (2019)

A scalable synthesis of a pan-JAK inhibitor is described. The original synthesis by the Medicinal Chemistry group has been modified to develop a new protecting group strategy, a 3-step telescoped synthesis to generate an imidazole ring from a nitrile, and a telescoped borylation/Suzuki coupling sequence as well as to replace HATU with process-friendly CDI in the final amidation step. Efficient API purification and polymorph interconversion protocols have been implemented to obtain API with the desired purity and physical properties for an inhaled formulation.
High strain sensitivity controlled by the surface density of platinum nanoparticles (2012)

We report a controllable strain gauge factor obtained using a two-dimensional nanoparticle layer formed from platinum nanoparticles. A vacuum technique is used for room temperature nanoparticle deposition that allows control of the electrical resistance of the film, exhibiting semiconducting-like behavior when nanoparticle arrays cover the surface below a threshold value while above it a metallic behavior is prevalent. The highest sensitivity is obtained for intermediate density values of the nanoparticle assemblies, which could be explained using a tunneling and hopping current expression. The device, which exhibits more than one order of magnitude higher strain sensitivity than continuous metallic films, is fabricated at room temperature through standard lithographic processing allowing for miniaturization and easy integration in silicon technology or flexible substrates.
Thrombosis and infection caused by thoracic venous catheters: pathogenesis and imaging findings. (1993)

Thrombosis and infection caused by thoracic venous catheters: pathogenesis and imaging findings.R J Wechsler, P W Spirn, E F Conant, R M Steiner and L NeedlemanAudio Available | Share
DNAzyme-based colorimetric sensing of lead (Pb<sup>2+</sup>) using unmodified gold nanoparticle probes (2008)

Novel functional oligonucleotides, especially DNAzymes with RNA-cleavage activity, have been intensively studied due to their potential applications in therapeutics and sensors. Taking advantage of the high specificity of 17E DNAzyme for Pb(2+), highly sensitive and selective fluorescent, electrochemical and colorimetric sensors have been developed for Pb(2+). In this work, we report a simple, sensitive and label-free 17E DNAzyme-based sensor for Pb(2+) detection using unmodified gold nanoparticles (GNPs) based on the fact that unfolded single-stranded DNA could be adsorbed on the citrate protected GNPs while double-stranded DNA could not. By our method the substrate cleavage by the 17E DNAzyme in the presence of Pb(2+) could be monitored by color change of GNPs, thereby Pb(2+) detection was realized. The detection of Pb(2+) could be realized within 20 min, with a detection limit of 500 nM. The selectivity of our sensor has been investigated by challenging the sensing system with other divalent metal ions. Since common steps such as modification and separation could be successfully avoided, the sensor developed here could provide a simple, cost-effective yet rapid and sensitive measurement tool for Pb(2+) detection and may prove useful in the development of sensors for clinical toxicology and environmental monitoring in the future.
Cardiorenal Syndrome in Acute Decompensated Heart Failure (2009)

Renal dysfunction is highly prevalent in patients with heart failure. Furthermore, worsening renal function in patients with acute decompensated heart failure (ADHF), the so-called cardiorenal syndrome, impacts short and long-term morbidity and mortality. In recent years, more evidence has surfaced from clinical trials and heart failure registries that a complex cross-talk between the kidney and heart in patients with ADHF exists. Meanwhile, management of patients presenting with ADHF and concomitant renal dysfunction continues to be challenging. Therefore, understanding the interaction of the heart and kidneys is pivotal in tailoring therapy of these patients. We have extensively reviewed the pathophysiology of ADHF, the role of neurohoromones as well as other biomarkers and predictors of mortality in these patients based on the current evidence. Moreover, we have discussed the current and future pharmacologic and non-pharmacologic therapies for treatment of this deadly disease. The strength of the evidence is limited, however, due to a paucity of randomized controlled trials in this patient population. What is evident from current national statistics; however, are the poor results in treating the congestion of ADHF. In this regard, the role of secondary hyperaldosteronism is discussed in the diuretic section as well as diuretic resistance in ADHF. In conclusion, since renal function is the single most important prognostic factor in the outcome of patients with ADHF, a better understanding of the pathophysiology of the cardiorenal syndrome is needed to target therapy and ultimately improve the mortality of patients with ADHF.
Actinic inspection of EUV reticles with arbitrary pattern design (2017)

The re ective-mode EUV mask scanning lensless imaging microscope (RESCAN) is being developed to provide actinic mask inspection capabilities for defects and patterns with high resolution and high throughput, for 7 nm node and beyond. Here we, will report on our progress and present the results on programmed defect detection on random, logic-like patterns. The defects we investigated range from 200 nm to 50 nm size on the mask. We demonstrated the ability of RESCAN to detect these defects in die-to-die and die-to-database mode with a high signal to noise ratio. We also describe future plans for the upgrades to increase the resolution, the sensitivity, and the inspection speed of the demo tool.
Lexicon-driven segmentation and recognition of handwritten character strings for Japanese address reading (2002)

This paper describes a handwritten character string recognition system for Japanese mail address reading on a very large vocabulary. The address phrases are recognized as a whole because there is no extra space between words. The lexicon contains 111,349 address phrases, which are stored in a trie structure. In recognition, the text line image is matched with the lexicon entries (phrases) to obtain reliable segmentation and retrieve valid address phrases. The paper first introduces some effective techniques for text line image preprocessing and presegmentation. In presegmentation, the text line image is separated into primitive segments by connected component analysis and touching pattern splitting based on contour shape analysis. In lexicon matching, consecutive segments are dynamically combined into candidate character patterns. An accurate character classifier is embedded in lexicon matching to select characters matched with a candidate pattern from a dynamic category set. A beam search strategy is used to control the lexicon matching so as to achieve real-time recognition. In experiments on 3,589 live mail images, the proposed method achieved correct rate of 83.68 percent while the error rate is less than 1 percent.
A Novel Fourier Series Simulation Tool for Pulsewidth Modulation (PWM) in Pulsed Power Systems (2007)

PWM is an efficient power transfer mechanism in switch mode power supply units (PSUs) and in speed and torque control of electric motors. Power dispatch is effected by PWM regulators in PSUs while variable voltage and frequency control of motors is achieved with sinusoidal reference PWM inverter amplifiers. Hence this pulse strategy can be used in power supply control of magnetic field currents for improved tokamak plasma confinement. Wide bandwidth current control is achieved in motor drives by natural sampled PWM because of its inherent simplicity and ease of implementation using analog comparator circuitry. For this reason a tractable mathematical model of the natural sampled PWM process is required for accurate simulation of such devices before hardware construction for performance related prediction and evaluation of plasma confinement control. In this paper a novel description of PWM is presented using a modulated Fourier series (MFS) for modelling, spectral analysis and rapid PWM inverter simulation in pulsed power applications. The MFS time function consists of a sum of sinusoidal carrier basis functions with time dependent amplitudes incorporating the modulated pulsewidth determined by the control current reference signals. Arbitrary non periodic signals are easily accommodated for rapid device simulation and performance evaluation. The MFS eliminates the need for accurate pulse edge transition searches during PWM inverter simulation because of the analytical expression for the time dependent modulated amplitudes, which contain the encoded signal information. Elimination of iterative searches for modulated pulse transitions, currently employed in simulation packages, results is substantial savings in simulation runtime during accurate PWM waveform synthesis. The accuracy of the MFS strategy can be easily controlled by adjusting the number of carrier harmonics during simulation. PWM simulation results are presented for MFS model validation, which are indistinguishable from those for an analog comparator modulator employing arbitrary non-periodic signals. A software algorithm with additional simulation traces are presented of MFS fidelity in replicating high frequency harmonic current ripple when compared with experimental test data. Substantial savings of up to fiftyfold in motor drive simulation time are presented without loss of simulation accuracy.
Forty Years of Collecting on Women: The Arthur and Elizabeth Schlesinger Library on the History of Women in America, Radcliffe College (2019)

The purposes of this organization are: To make a systematic search for undeposited source materials dealing with women’s lives and activities, interests and ideas, as members of society everywhere. 1