gebhart/patrepeval huggingface dataset:
Epoxidation of Alkenes with H2O2 Catalyzed by Dititanium‐Containing 19‐Tungstodiarsenate(III): Experimental and Theoretical Studies (2010)

Abstract Epoxidation of a range of alkenes with aqueous H 2 O 2 easily proceeds in the presence of the dititanium‐containing 19‐tungstodiarsenate(III) [Ti 2 (OH) 2 As 2 W 19 O 67 (H 2 O)] 8– ( 1 ), which contains five‐coordinate Ti atoms. The results of product and kinetics studies support a mechanism that involves a reversible interaction between H 2 O 2 and the Ti–OH group of 1 to produce a titanium hydroperoxo complex followed by electrophilic oxygen atom transfer from the hydroperoxo ligand to the alkene substrate in the rate‐limiting step. The effect of the alkene substrate nature has been investigated at the DFT level. A clear correlation between the energy of π C=C orbitals in the alkene and the turnover frequency values has been found, thereby indicating that the higher nucleophilicity of the alkene, the higher the reactivity. ONIOM (ONIOM = our own n ‐layered integrated molecular orbital and molecular mechanics) calculations have been employed to evaluate the role of steric effects of alkene substituents. The calculations show that the steric bulk can play a secondary role and tunes the activity in specific cases such as trans ‐stilbene.
Identification of Novel p38α MAP Kinase Inhibitors Using Fragment-Based Lead Generation (2004)

We describe the structure-guided optimization of the molecular fragments 2-amino-3-benzyloxypyridine 1 (IC(50) 1.3 mM) and 3-(2-(4-pyridyl)ethyl)indole 2 (IC(50) 35 microM) identified using X-ray crystallographic screening of p38alpha MAP kinase. Using two separate case studies, the article focuses on the key compounds synthesized, the structure-activity relationships and the binding mode observations made during this optimization process, resulting in two potent lead series that demonstrate significant increases in activity. We describe the process of compound elaboration either through the growing out from fragments into adjacent pockets or through the conjoining of overlapping fragments and demonstrate that we have exploited the mobile conserved activation loop, consisting in part of Asp168-Phe169-Gly170 (DFG), to generate significant improvements in potency and kinase selectivity.
Simulation of the Inlet Flow of a Centrifugal Compressor Impeller With and Without a Spinner (1996)

Abstract This paper, based on a multi-purpose CFD code, presents a numerical method which can exactly model the actual spinner attached to the inlet of the experimental high-speed centrifugal compressor impellers. The inlet flow fields of the impeller with and without a spinner are numerically simulated and compared. The results indicate that the modelling of the actual spinner with a cylindrical surface does considerably change the inlet flow field of the impeller near the hub in the first half of the inlet. However, this influence is rapidly diminishing along the flow into the blade passage, and it does not bring a considerable deviation when comparing the calculated velocities with the data inside the blade passage.
Current Amplification and Ultrafast Charge Transport in a Single Microdroplet of Bromide/Polybromide-Based Ionic Liquid (2020)

Bromide/polybromide-based ionic liquids have recently gained attention as energy storage devices because of their dual roles as a solvent and a redox pair. However, their redox reaction is accompanied by the generation of emulsion at the electrode surface, which makes the study of their electrochemical mechanism highly challenging. We investigated the current amplification of a single droplet of 1-ethyl-1-methylpyrrolidinium polybromide (MEPBr2n+1), which is a Br–/Br2n+1–-based ionic liquid. The heterogeneous electron transfer of Br–/Br3– at the electrode is very fast. However, it still limits the overall reaction of this electrochemical system. Assuming free diffusion, the calculated diffusion coefficient of Br–/Br3– in a MEPBr2n+1 droplet is surprising and is an order greater than that of proton conduction following Grotthuss-like hopping. In situ Raman spectroscopy confirmed that the polybromide composition in the droplet varies during electrolysis and correlated the swift charge propagation with the polybromide network in the MEPBr2n+1 phase.
Effects of Deletions in the Regulatory Domain on the Stability and Enzymatic Characteristics of Tyrosine Hydroxylase (2002)

Background : Various vectors have been developed and tried for the delivery of tyrosine hydroxylase (TH) in order to supplement dopamine, which is severely deficient in Parkinson's disease, however, none of the protocols tried have yielded fruitful results that can be applied directly to humans. One of the problems revealed from previous trials was a short duration of expression of the delivered gene, that is, tyrosine hydroxylase. Methods : To extend the stability and to improve the enzymatic characteristics of the protein, part of the regulatory domain was deleted via PCR technique. The cDNA for regulatory domain-deleted THs (dTH) were sub-cloned into a retroviral vector and the resulting recombinant retrovirus was used to infect NIH-3T3. After selection, expression levels of TH were determined by Western blot analysis and the enzymatic characteristics were examined. Results : The deletion increased steady state expression level of TH protein by 7-fold for d19TH (TH with amino acids #2-19 are deleted) and 3-fold for d31TH (TH with amino acids #2-31 are deleted. The elevated expression level of d19TH is likely due to the enhanced stability of the protein as determined by a treatment of cycloheximide. The activity of d19TH was also increased approximately by 3-fold but no increase of the L-dopa production was observed. However, the production of L-dopa was dramatically increased when GTP cyclohydrolase I (GTPCH I) was co-transfected suggesting that the activity of d19TH is dependent on the presence of cofactor. d19TH seem to be free of feedback inhibition at low concentration of dopamine (10 nM1 M) but more sensitive to the inhibition at high concentration of dopamine (10 mM). Conclusions : The deletion of 18 amino acids on the regulatory domain increases the stability of the protein, reduces the activity, and frees it from the feedback inhibition by the end product.
The Differing Roles of the Classical and Mannose-Binding Lectin Complement Pathways in the Events following Skeletal Muscle Ischemia-Reperfusion (2006)

Complement is an important mediator of the injuries observed after skeletal muscle ischemia and subsequent reperfusion. Although the classical pathway had been assumed to be the major pathway of activation leading to injury, the mannose-binding lectin (MBL) pathway might also play a contributing role. In this study, we found that MBL-deficient mice had significant protection after skeletal muscle reperfusion injury compared with wild-type, classical pathway-specific C1q-deficient mice, or MBL-deficient mice reconstituted with recombinant human MBL. MBL-deficient mice, however, were not protected from permeability edema or secondary lung injury after ischemia-reperfusion. These data indicate that blockade of the classical pathway alone (C1q) is protective against permeability edema and remote pulmonary injury but not protective against histologic muscle injury. In contrast, blocking the MBL pathway alone protects against histological injury but is not protective against permeability edema or lung injury. Thus, the activation of both pathways is likely responsible for the full spectrum of injuries observed after skeletal muscle reperfusion injury.
Non-invasive IoT sensing and monitoring system for neonatal care (2019)

The scientific innovation in health systems moves towards non-invasive and wearable approaches to acquire and measure vital signs. Due to its non-invasive nature, infrared (IR) thermography has become the preferred choice for monitoring physiological signals from a distance. Combining IR non-invasive monitoring with the Internet of Things (IoT), we developed a risk management system for neonatal incubators, which has the capability to inform temperature anomalies from the newborn, aiming to prevent or to have a fast-responding action to risk situations such as hypothermia and hyperthermia. With multi-area-temperature monitoring we can detect signs of hypothermia minutes before decrease in core temperature. As a result, the system can record a thermal image from inside the incubator every 0.5 seconds, upload to the cloud every 20 seconds, perform real-time data analysis, activate alarms of possible risk-eminent situations and send notifications with maximum delay of 2 minutes.
Binding of the Human Papillomavirus Type 16 p97 Promoter by the Adeno-associated Virus Rep78 Major Regulatory Protein Correlates with Inhibition (1999)

Human papillomavirus type 16 (HPV-16) infection is positively associated with cervical cancer, whereas adeno-associated virus (AAV) infection is negatively associated with this same cancer. In earlier studies these two virus types have been shown to directly interact, with AAV inhibiting or enhancing papillomavirus functions depending upon the specific circumstances. One defined interaction between these two viruses is the ability of the AAV Rep78 major regulatory protein to inhibit gene expression of the E6 promoter of BPV-1 (bovine papillomavirus type 1) and HPV types 16 and 18. As Rep78 is a DNA binding transcription factor, we considered whether Rep78 might bind HPV-16 DNA. Here, Rep78 is demonstrated to bind a 44-base pair region (nucleotides 14-56) within the HPV-16 p97 promoter using the electrophoretic mobility shift assay. This region is important for HPV-16 because it includes functional Sp1 and E2 protein binding motifs as well as part of the origin of replication. Furthermore, two Rep78 amino acid substitution mutants, at positions 77 or 64-65, were identified that did not recognize p97 DNA. Both of these Rep78 mutants were found to be defective for inhibition of p97 promoter activity in HeLa and T-47D nuclear extracts in vitro, in a transient chloramphenicol acetyltransferase assay, as well as defective for full inhibition of HPV-16-directed focus formation. These data, taken together, strongly suggest that the Rep78-p97 promoter interaction is at least partially responsible for Rep78-mediated inhibition of HPV-16. Finally, the finding that Rep78 specifically recognizes p97 DNA is surprising because the p97 promoter region contains no GAGC motifs, the core motif for Rep78 recognition. These data suggest that the p97 promoter may represent a new prototypical DNA target type for Rep78.
Evaluation of the performance of the impregnating resin of high voltage electrical machine when exposed to raw natural gas (2009)

Future high-speed electrical motor technology will utilise wellstream hydrocarbon gas as cooling medium. Such integrated motor-compressors are currently under qualification for use on the sea floor in the North Sea. A vital part of the insulation system is the resin used to impregnate the motor windings and the resins ability to withstand chemical aging caused by the components inside the wellstream gas. The purpose of the resin in such a machine is to give mechanical support to the winding and to fill all gaps and voids inside the mainwall insulation, which consists of a mica paper tape. Various types of epoxy resins were exposed to an environment consisting of hydrocarbon gas, condensate and a mixture of water and monoethylene glycol (MEG). The specimens were built by casting the resin into a mould and curing it in an oven according to the procedure recommended by the resin manufacturers. According to the tests, the epoxy novolac and bisphenol A epoxy resin with BCl <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> accelerator were able to withstand their tensile strength and e-modulus during the exposure far better than the bisphenol F epoxy resin. The influence of an accelerator in an epoxy anhydride resin system was detected. Resins accelerated with zinc naphthenate provided the highest modulus before the tests, but were not able to retain it during the exposure. Resins accelerated with BCl <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> seemed to tolerate the environment better. The tensile strength of the resin was also dependent upon the amount of BCl <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> accelerator used.
α-Galactosylceramide and Novel Synthetic Glycolipids Directly Induce the Innate Host Defense Pathway and Have Direct Activity against Hepatitis B and C Viruses (2004)

alpha-Galactosylceramide is a glycolipid derived from marine sponges that is currently in human clinical trials as an anticancer agent. It has also been shown to be effective in reducing the amount of hepatitis B virus (HBV) DNA detected in mice that produce HBV constitutively from a transgene. It was assumed that all of the antiviral and antitumor activities associated with alpha-galactosylceramide were mediated through the activation of NK T cells. However, we report here an additional unpredicted activity of alpha-galactosylceramide as a direct antiviral agent and inducer of the innate host defense pathway. To exploit this activity, we have developed a new class of smaller, orally available glycolipids that also induce the innate host defense pathway and have direct activity against HBV and hepatitis C virus.
Lung volume reduction or lung transplantation for end-stage pulmonary emphysema? (1998)

LR has the potential to offer an effective palliative alternative to LT in 75% of selected patients up to 32 months of follow-up. Widespread use of bilateral LR is anticipated to further improve the results.
Results of Unicompartmental Knee Arthroplasty at a Minimum of Ten Years of Follow-up (2005)

After a minimum duration of follow-up of ten years, this cemented modular unicompartmental knee design was associated with excellent clinical and radiographic results. Although the ten-year survival rate was excellent, radiographic signs of progression of osteoarthritis in the other compartments continued at a slow rate. With appropriate indications and technique, this unicompartmental knee design can yield excellent results into the beginning of the second decade of use.
Efficacy of immunotherapy in lung cancer with co-occurring mutations in NOTCH and homologous repair genes (2020)

Co-occurring mutations in the NOTCH and HR pathways are associated with increased efficacy of immunotherapy in advanced NSCLC. This genomic predictor deserves further investigation to fully assess its potential in informing therapeutic decisions.
Second Harmonic Generation: Toward an All-Optical Transistor (1995)

Get PDF Email Share Share with Facebook Tweet This Post on reddit Share with LinkedIn Add to CiteULike Add to Mendeley Add to BibSonomy Get Citation Copy Citation Text Z. Wang, D. J. Hagan, E. W. Van Stryland, and Gaetano Assanto, "Second Harmonic Generation: Toward an All-Optical Transistor," Optics & Photonics News 6(12), 13-14 (1995) Export Citation BibTex Endnote (RIS) HTML Plain Text Citation alert Save article
Human and murine macrophages mediate activation of MEN 4901/T-0128: a new promising camptothecin analogue–polysaccharide conjugate (2006)

MEN 4901/T-0128 is a new cytotoxic prodrug constituted by the camptothecin analogue T-2513 bound to carboxymethyl dextran through a triglycine linker. MEN 4901/T-0128 was designed to target the active camptothecin at the tumour site. MEN 4901/T-0128 is weakly cytotoxic in vitro and thus T-2513 must be released from the conjugate to become active. Here, we demonstrated that human purified cathepsin B releases T-2513 from MEN 4901/T-0128 at pH values ranging from 3 to 5. pH dependency of this reaction suggests that cleavage of the linker should mainly occur in the lysosomes. As elevated cathepsin B activity has been described in macrophages, human tumour monocytic THP-1 cells differentiated into macrophage-like cells were used to study the cellular mechanisms responsible for MEN 4901/T-0128 antitumour activity. Here, we show that differentiated THP-1 internalizes MEN 4901/T-0128 efficiently in a time-dependent and concentration-dependent manner. After phagocytosis, THP-1 cells can cleave the prodrug and release T-2513 in the media. On the contrary, undifferentiated THP-1 cells or pancreatic ASPC-1 tumour cells, although expressing high levels of cathepsin B, are much less efficient in the release of cytotoxic moieties in the culture media. Moreover, normal murine macrophages, recovered from the peritoneal cavity or from the spleen, when activated (in vitro by 100 ng/ml phorbol 12-myristate-13-acetate and in vivo by 300 microl of 3% w/v thioglycollate solution), were able to release (after incubation with 10 microg/ml MEN 4901/T-0128) cytotoxic moieties in the culture supernatant, in an amount sufficient to kill human carcinoma A2780 cells. Thus, we suggest that tumour-associated macrophages may play a key role in the uptake of MEN 4901/T-0128, cleavage and local release of active moiety T-2513. This mechanism should support a tumour targeting of the cytotoxic moieties, allowing an improved antitumour efficacy/safety ratio for MEN 4901/T-0128.
The expression of the rare caveolin-3 variant T78M alters cardiac ion channels function and membrane excitability (2017)

This study demonstrates that the T78M cav-3 induces complex modifications in ion channel function that ultimately alter membrane excitability. The presence of the T78M cav-3 can thus generate a susceptible substrate that, in concert with other structural alterations and/or genetic mutations, may become arrhythmogenic.
Fusing Event-based Camera and Radar for SLAM Using Spiking Neural Networks with Continual STDP Learning (2023)

This work proposes a first-of-its-kind SLAM architecture fusing an event-based camera and a Frequency Modulated Continuous Wave (FMCW) radar for drone navigation. Each sensor is processed by a bio-inspired Spiking Neural Network (SNN) with continual Spike-Timing-Dependent Plasticity (STDP) learning, as observed in the brain. In contrast to most learning-based SLAM systems, our method does not require any offline training phase, but rather the SNN continuously learns features from the input data on the fly via STDP. At the same time, the SNN outputs are used as feature descriptors for loop closure detection and map correction. We conduct numerous experiments to benchmark our system against state-of-the-art RGB methods and we demonstrate the robustness of our DVS-Radar SLAM approach under strong lighting variations.
A polarity-sensitive fluorescence study of the pH-dependent aggregation of poly(methacrylic acid-g-ethylene glycol) copolymers in water (2000)

The polarity-sensitive fluorescence of pyrene was used to investigate the complex-induced hydrophobic aggregation of poly(methacrylic acid-g ethylene glycol) in aqueous solutions, Under acidic conditions, the excitation or emission peak intensity ratio as a function of concentration of solubilized pyrene was used to estimate the critical aggregate concentration.
Non-classical Natural Killer T Cells Modulate Plasmid DNA Vaccine Antigen Expression and Vaccine-elicited Immune Responses by MCP-1 Secretion after Interaction with a β2-Microglobulin-independent CD1d (2009)

The magnitude and durability of a plasmid DNA vaccine-induced immune response is shaped by immune effector molecules at the site of vaccination. In the present study, we show that antigen expression is modified by type II NKT cells, after interaction with a beta2-microglobulin-independent CD1d receptor. After activation, during the first days following plasmid DNA vaccination, NKT cells release IL-5 and MCP-1, leading to a T helper 0 (T(H)0) cytokine/chemokine profile and a stronger CD8(+)/CD4(+) T cell immune response. Our data indicate that this phenomenon was induced through the strong T(H)1 chemokine MCP-1 during the early phases of plasmid DNA vaccination because injecting the type II NKT cell-associated MCP-1 during the first 5 days led to 2-3-fold increases in vaccine-elicited T cell responses. This study demonstrates a critical role for NKT cells in plasmid DNA vaccine-induced immune responses. Manipulation of NKT cell function or co-administration of MCP-1 may represent novel methods for enhancing immune responses to plasmid DNA vaccines.
Supplementary Table 3 from PLZF, a Tumor Suppressor Genetically Lost in Metastatic Castration-Resistant Prostate Cancer, Is a Mediator of Resistance to Androgen Deprivation Therapy (2023)

&lt;p&gt;Supplementary Table 3. KEGG analysis of PLZF-repressed program&lt;/p&gt;
The Unlikely Barrèsian Inheritance of Albert Camus (2013)

This essay examines the considerable intellectual debt left-wing Albert Camus owed to one of the most unlikely of sources: far-right intellectual Maurice Barrès. Before achieving fame in France as an existential writer, he developed as a settler intellectual in colonial Algeria. The far-right exerted a profound influence on settler intellectual communities in Algeria. Many of Camus’s colleagues and friends were deeply inspired by Barrès. He was as well. Examining Camus’s complex intellectual debts to Barrès requires both a contextualization of his development as an intellectual in both Algeria and France, as well as a textual analysis of what he indeed assimilated from this icon of the far right. Camus’s attempts to wed Barrèssian fantasies of collective solidarization to his liberal political commitments risked leaving him at an impasse; however, wedding these sometimes conflicting approaches also allowed for a much broader engagement with his texts from a variety of political positions. As he confided to his mentor Jean Grenier: “I like my ideas on the left and my men on the right.”
Generalization of Homogeneity Tests for Weighted Samples and Their Implementation in ROOT (2020)

The ATLAS experiment implemented an ensemble of neural networks (Neural-Ringer algorithm) dedicated to improving the performance of event filters selecting electrons in the high-input-rate online environment of the Large Hadron Collider (LHC) at CERN. This algorithm has been used online since 2017 to select electrons with transverse energies (ET) above 15 GeV. By taking advantage of calorimetry knowledge, the ensemble employs ring energy sums concentric to the electron candidate energy barycenter. The training procedure and final structure of the ensemble are designed to keep detector response flat with respect to particle energy and position. A detailed study was carried out to assess possible profile distortions in crucial offline quantities through the usage of statistical tests and residual analysis. NeuralRinger operation maintained high electron efficiency while improving fake rejection by a factor of 2 to 3, with negligible residuals in the offline quantities.
"Narrowcast yourself" (2008)

The StoryBank project is examining technologies and practices to allow digitally impoverished communities to take part in the user-generated content revolution. The approach involves combining mobile phones to create audio-visual stories and a touch screen display situated in a community meeting place. This paper discusses the design, evaluation and refinement of the situated display. We consider how our experiences of working with a rural Indian village community influenced design processes, principles and prototypes. The work highlights the value of community-centred design practices and prototypes in such developing-world contexts.
A potentially useful fluorogenic amine, 4-amino-7-nitrobenz-2-oxa-1,3-diazole. An application as a substrate for a microdetermination of chymotrypsin. (1984)

4-Amino-7-nitrobenz-2-oxa-1, 3-diazole (1b) is a potentially useful key fluorogenic amine. As an example of the application of this amine, 7-(N-tosyl-and N-mesyl-L-phenylalanyl) amino-4-nitrobenz-2-oxa-1, 3-diazole (2) were prepared and shown to be good fluorogenic substrates for the assay of chymotrypsin.