gebhart/patrepeval huggingface dataset:
Theoretical investigation of Li and Be atom complexes with H2O (1985)

The structures, energetics, and vibrational frequencies of the Li–OH2 and Be–OH2 complexes have been examined by ab initio molecular orbital methods including the effects of electron correlation by Mo/ller–Plesset perturbation theory. Previous studies, at the Hartree–Fock level, indicated the existence of only a very weak van der Waals-type complex between Be and H2O, while the Li–OH2 complex was strongly bound (10–11 kcal/mol) at this level. In contrast, we find that, when correlation effects are included, the Be interaction with H2O is quite similar to that of Li with H2O. The Be–OH2 complex is predicted to be nonplanar and significantly bound with a short Be–O distance of 1.736 Å and a dissociation energy of 5.53 kcal/mol. The Li–OH2 complex at the correlation energy level is nonplanar with a Li–O bond distance of 1.90 Å and a dissociation energy of 13.77 kcal/mol. Calculated shifts in the vibrational frequencies of H2O in Li–OH2 at the correlated level are in good agreement with the experimental values, whereas Hartree–Fock level frequency shifts are in disagreement.
Causality Analysis of IT Capabilities to Achieve Maximum Business Outcomes (2014)

Outcome-based business (OBB) is a business model that directly links a service provider's revenue or fee to the business value delivered by enabled services to the client. Its financial construct allows for a shared risk and reward model. Using OBB model, the service provider earns its revenue upon meeting mutually agreed benchmarks that affect these key client business outcomes. An OBB engagement typically requires establishing a long-term relationship with the client and reduces the risk for the client during the business transformation. A key component of an OBB business model is its ability to determine the impact of a particular IT solution on the performance of client financial and operational metrics. We outline a systematic method to enable us to do so. We begin with a process to identify gaps in the client's financial or operational performance. Then, we identify the business drivers that can improve those gaps. Next, we map the prioritized business drivers to the underlying IT capabilities that impact these drivers, creating a causal relationship chart called a service value map. Based on the causal relationship between the IT capabilities and the prioritized business drivers, we identify the priorities of the IT capabilities for gap improvement. In the second part of the analysis, we assume that each high level business driver can be measured by a metric (key performance indicator). With the help of a heuristic approach, we estimate the change of the metric over time using the service value map. This is accomplished by: 1) creating two baselines that define the bounds of the metric, and 2) using a maturity analysis to quantify the impact of the IT capabilities over time.
Abstract A133: Development of murine models to evaluate the impact of glucocorticoid receptor (GR) inhibition on chemotherapy response (2018)

Abstract The glucocorticoid receptor (GR) is a member of the nuclear receptor superfamily of ligand-activated transcription factors. GR is activated by its endogenous steroid hormone ligand, cortisol, and by synthetic glucocorticoid drugs such as dexamethasone. Several preclinical studies have established a role for GR in mediating resistance to both targeted therapies and conventional chemotherapies in epithelial cancers. Glucocorticoids have been reported to confer resistance to antimetabolites, taxanes, and platinum compounds in lung, prostate, bladder, renal, ovarian, and triple-negative breast cancers (Gassler et al., 2005; Li et al., 2017; Zhang et al., 2007). GR has also been reported to confer resistance to antiandrogen therapies in prostate cancer (Arora et al., 2013). Therefore, a molecule that inhibits GR activation could attenuate the development of resistance to cancer therapeutics. We are developing novel GR inhibitors that effectively block GR transcriptional activity in cells by competing for ligand binding and blocking GR-Coactivator interactions. In vitro, GR inhibition enhances the efficacy of chemotherapeutic agents under conditions supporting GR activation. In humans, the predominant glucocorticoid is cortisol, while in mice the predominant glucocorticoid is corticosterone (Siswanto et al., 2008). Corticosterone is a potent agonist of murine GR, but a weak agonist of human GR. When human tumor cells are grown in mice, GR is not active in the tumor cells due to the lack of circulating cortisol. Therefore it is necessary to provide exogenous cortisol to fully activate GR. Using xenograft models of ovarian and triple-negative breast cancer, we find that tumors grown in mice with physiologically relevant circulating cortisol levels are significantly less sensitive to standard-of-care chemotherapy than those grown in the absence of cortisol. Inhibition of GR is effective at restoring the response to chemotherapy in these models. These results demonstrate the therapeutic potential of GR inhibitors in combination with clinically utilized chemotherapeutics. Furthermore, the in vivo models developed provide a milieu for testing and developing GR inhibitors. Citation Format: Nadine Jahchan, Haiying Zhou, James Stice, Wayne Kong, Dan McWeeney, Daqing Sun, Yosup Rew, Xiaohui Du, Liusheng Zhu, Qiuping Ye, Erica L. Jackson, Valeria Fantin. Development of murine models to evaluate the impact of glucocorticoid receptor (GR) inhibition on chemotherapy response [abstract]. In: Proceedings of the AACR-NCI-EORTC International Conference: Molecular Targets and Cancer Therapeutics; 2017 Oct 26-30; Philadelphia, PA. Philadelphia (PA): AACR; Mol Cancer Ther 2018;17(1 Suppl):Abstract nr A133.
24 GHz RF-MEMS Phase Shifter with Non-Galvanic Electromagnetic Coupling Fabricated in Silicon-Bulk Technology (2006)

This contribution presents a Distributed MEMS Transmission Line (DMTL) phase shifter designed for 24 GHz and fabricated in Silicon-Bulk Micromechanic Technology. Using this technology enables to commonly suspend all capacitive loads on one movable plate and allows full range analog and homogeneous gap adjustment. The first available prototypes of the phase shifter are characterized to provide 5.4 °/mm differential phase shift at 24 GHz and to show 0.1 dB/mm insertion loss. An asymmetric coplanar signal coupler with a center frequency of 24 GHz and 10% bandwidth is used to contact the signal through the substrate of the phase shifter chip and back to a supporting printed circuit board. The normalized measured insertion loss of the coupling structure after simulated optimization is 0.13 dB - 0.17 dB.
Water-stable MOFs and Hydrophobically Encapsulated MOFs for CO2 Capture from Ambient Air and Wet Flue Gas (2022)

The extra CO2 that has already been released into the atmosphere has to be removed in order to create a world that is carbon neutral. Technologies have been created to remove carbon dioxide from wet flue gas or even directly from ambient air, however these technologies are not widely deployed yet. New generations of creative CO2 capture sorbents have been produced as a consequence of recent improvements in material assembly and surface chemistry. We summarize recent progress on water-stable and encapsulated metal-organic frameworks (MOFs) for CO2 capture under a wide range of environmental and operating conditions. In particular, newly developed water-stable MOFs and hydrophobic coating technologies are discussed with insights into their materials discovery and the synergistic effects between different components of these hybrid sorbent systems. The future perspectives and directions of water-stable and encapsulated MOFs are also given for Direct Air Capture of CO2 and CO2 capture from wet flue gas.
Recent Advances in PAMP-Triggered Immunity against Bacteria: Pattern Recognition Receptors Watch over and Raise the Alarm (2009)

In an environment rich in potentially harmful microbes, plant survival depends on efficient microbe perception and fast defense responses. Contrary to the mammalian immune system composed of cells specialized for defense (e.g. lymphocytes), plant immunity relies on the ability of each cell to
ChemInform Abstract: (Z,Z)‐2,7‐Bis(4‐amidinobenzylidene)cycloheptan‐1‐one: Identification of a Highly Active Inhibitor of Blood Coagulation Factor Xa. (1999)

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.
Comparing results from defect-tolerant yield models (2003)

To date, many models have been developed to predict the yield of defect-tolerant integrated circuits (ICs). In this paper, results obtained from several of these models are compared. Their sensitivity to various model parameters is also examined. These results lead one to conclude that, despite differences in the predicted amount of redundancy, it may be possible to obtain good solutions. The differences in the solutions come from the models as well as from the parameters used in these models, and solutions are said to be good when the resulting figures of merit are rather insensitive. Consequently, a simple method is proposed to select the number of spares to add in defect-tolerant ICs.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Anonic Reactive Surfactants in emulsion polymerization of styrene (2009)

International audience
Gradient, high‐resolution, magic angle spinning 1H nuclear magnetic resonance spectroscopy of intact cells (1998)

The application of new gradient, high-resolution, magic angle spinning (MAS) 1H nuclear magnetic resonance (NMR) spectroscopy to the study of intact undifferentiated and differentiated NIH 3T3 F442A cells demonstrated improved spectral resolution and sensitivity compared with static studies. MAS of cells permits the detection and quantitation of many cellular metabolites that are not clearly resolved in nonspinning measurements and provides an improved visibility of phospholipids. Gradient, MAS enables the use of diffusion weighting for compartment assignment and the determination of mobility for many metabolites which are incompletely resolved using static techniques. The smaller, undifferentiated preadipocytes show no microscopic evidence of cell lysis after 2 h of MAS at 3.5 kHz and 82% of these cells remain viable by trypan blue exclusion. In contrast, 15-19% of the larger, lipid-laden differentiated adipocytes were found to suffer some degree of cell lysis with MAS. This new method is an attractive alternative to either nonspinning perfusion or extraction techniques for NMR studies of cells.
Supplementary Figure Legend and Methods from Metabolomics Strategy Reveals Subpopulation of Liposarcomas Sensitive to Gemcitabine Treatment (2023)

&lt;p&gt;PDF file - 114K&lt;/p&gt;
Complementary frequency modulated radar waveforms and optimised receive processing (2021)

Abstract Design methodologies are developed for complementary frequency modulated (FM) waveforms and for optimised complementary mismatched filtering (MMF) of arbitrary non‐repeating waveforms. The former is a sub‐class of random FM waveforms denoted as complementary FM (Comp‐FM) while the latter extends a practical instantiation of least‐squares mismatched filtering yielding the mismatched complementary‐on‐receive filtering (MiCRFt) scheme. Both of these approaches have an emphasis on the non‐ideal physical effects of the radar transmitter and receiver, thereby permitting high‐fidelity simulation analysis and subsequent experimental demonstration of their efficacy using open‐air measurements.
Synthesis and Structure−Activity Studies of Biphenyl Analogues of the Tuberculosis Drug (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824) (2009)

A series of biphenyl analogues of the new tuberculosis drug PA-824 was prepared, primarily by coupling the known (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol with iodobenzyl halides, followed by Suzuki coupling of these iodides with appropriate arylboronic acids or by assembly of the complete biaryl side chain prior to coupling with the above alcohol. Antitubercular activity was determined under both replicating (MABA) and nonreplicating (LORA) conditions. para-Linked biaryls were the most active, followed by meta-linked and then ortho-linked analogues. A more detailed study of a larger group of para-linked analogues showed a significant correlation between potency (MABA) and both lipophilicity (CLOGP) and the electron-withdrawing properties of terminal ring substituents ( summation operatorsigma). Selected compounds were evaluated for their efficacy in a mouse model of acute Mycobacterium tuberculosis infection. In vivo activity correlated well with the stability of compounds to microsomal metabolism. Three compounds bearing combinations of lipophilic, electron-withdrawing groups achieved >200-fold higher efficacies than the parent drug.
Introduction of Beat Oscillation to Improve the Performance of Music BCI Decoder (2022)

A Brain-Computer Interface (BCI) is emerging as next-generation technology to overcome disabilities and human physical limitations. Recently, the BCI for language and music as well as physical activities are being developed, which improves accessibility in communication and creative activities. BCI technology requires high accuracy, but despite many engineering approaches, it still does not have sufficient performance. In this study, we tried an approach based on the brain mechanism. There is a limitation due to high inter-subject variability. Also, Brain waves represent responses to various activities such as cognitive processes, visual information, and body movement. Therefore, it is important to design a personalized classifier and extract only responses to specific activities. Beat entrainment is known as the key mechanism of the human brain. Beat entrainment is in charge of segmentation on external information and is greatly involved in high-cognitive functions such as language, movement, and music. Introducing beat oscillation in the decoder, we confirmed that BCI performance increased. We recorded the brain response through the ECoG electrode while listening to the familiar children's song. We designed a classifier based on a 7-tone diatonic scale (Do-Re-Mi-Fa-Sol-La-Ti) relative to the tonic (Do). The accuracy was significantly higher in the beat-applied classifier than otherwise.
The mitogen-activated protein kinase ERK5 regulates the development and growth of hepatocellular carcinoma (2014)

ERK5 regulates the biology of HCC cells and modulates tumour development and growth in vivo. This pathway should be investigated as a possible therapeutic target in HCC.
Bacillus thuringiensis (Bt) Toxins: Microbial Insecticides (2007)

The concerted effect of the exponentially increasing costs of insecticide development, the dwindling rate of commercialization of new materials, and the demonstration of cross or multiple resistance to new classes of insecticides almost before they are fully commercialized makes pest resistance the greatest single problem facing applied entomology. The only reasonable hope of delaying or avoiding pest resistance lies in integrated pest management programs that decrease the frequency and intensity of genetic selection by reduced reliance upon insecticides and alternatively rely upon multiple interventions in insect population control by natural enemies, insect diseases, cultural manipulations, and host-plant resistance.–Metcalf, R. L. (1980). Changing role of insecticides in crop protection. Annual Review Entomology, 25, 219–256.
Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection via fluorescence enhancement (2012)

In this work, the complexation of the bapbpy ligand to zinc dichloride is described (bapbpy = 6,6′-bis(2-aminopyridyl)-2,2′-bipyridine). The water-soluble, colorless complex [Zn(bapbpy)Cl]Cl·2H2O (compound 2·H2O) was synthesized; its X-ray crystal structure shows a mononuclear, pentacoordinated geometry with one chloride ligand in apical position. Upon excitation of its lowest-energy absorption band (375 nm) compound 2 shows intense emission (Φ = 0.50) at 418 nm in aqueous solution, and an excited state lifetime of 5 ns at room temperature. Photophysical measurements, DFT, and TD-DFT calculations prove that emission arises from vibronically coupled Ligand-to-Ligand Charge Transfer singlet excited states, characterized by electron density flowing from the lone pairs of the non-coordinated NH bridges to the π* orbitals of the pyridine rings. Monofunctionalization of the ligand with one long alkyl chain was realized to afford ligand 3, which can be inserted into dimyristoylphosphatidylglycerol (DMPG) or dimyristoylphosphatidylcholine (DMPC) unilamellar vesicles. For negatively charged DMPG membranes the addition of a zinc salt to the vesicles leads to an enhancement of the fluorescence due to zinc coordination to the membrane-embedded tetrapyridyl ligand. No changes were observed for the zwitterionic DMPC lipids, where binding of the Zn ions does not take place. A modest binding constant was found (5 × 10(6) M(−1)) for the coordination of zinc cations to bapbpy-functionalized DMPG membranes, which allows for the detection of micromolar zinc concentrations in aqueous solution. The influence of chloride concentration and other transition metal ions on the zinc binding was evaluated, and the potential of liposome-supported metal chelators such as ligand 3 for zinc detection in biological media is discussed.
Państwo i Społeczeństwo nr 4, 2009 : Neopogaństwo w Polsce tom II (2009)

Numer „Państwa i Społeczeństwa”, który oddajemy do rąk Czytelników, zawiera&#13;\nartykuły z drugiej konferencji poświęconej tematyce neopogaństwa w Polsce. Odbyła&#13;\nsię ona w Krakowie, w dniach 19–21 marca 2009 r.&#13;\nZebrane tu teksty w większości dotyczą zjawiska neopogaństwa w ostatnim&#13;\ndwudziestoleciu, mają jednak zróżnicowany charakter: od tekstów naukowych&#13;\n(Witulski, Barcikowska, Filip), poprzez historyczne (Szczepański, Gajda), teoretyczne&#13;\n(Olszewska, Simpson i Beźnic), aż do sprawozdań o zabarwieniu ideologicznym&#13;\n(Górewicz).&#13;\nW cytatach z dokumentów i tekstów źródłowych zachowujemy oryginalną&#13;\npisownię nazw własnych oraz terminów, natomiast w pozostałych przypadkach&#13;\ndostosowujemy ją do norm grafii polskiej.
Computer‐assisted retinal vessel measurement in an older population: correlation between right and left eyes (2003)

This study assessed the correlation between computer-assisted retinal vessel measurements of right and left eyes, from subjects in a defined, community-based older population. Retinal photographs from participants in the Blue Mountains Eye Study were digitized. All retinal arterioles and venules located 0.5-1.0 disc diameters from the optic disc margin were identified and a computer program measured their diameters. Pearson correlation (R2) statistic was used to assess the correlation in a random subsample of 1546 images. Substantial correlation between right and left eye measurements was found for summary indices of retinal arterioles (R2 = 0.70) and venules (R2 = 0.77). Higher correlation was found for intragrader (R2 0.75-079) than for intergrader assessment (R2 0.67-0.72). Moderate correlation was found in arteriole-to-venule ratio assessed by the same (R2 = 0.57) or different (R2 = 0.52) graders. Measurements from one eye can thus adequately represent the retinal vessel diameters of a person.
Target Classification Using Frontal Images Measured by 77 GHz FMCW Radar through DCNN (2022)

This paper proposes a target classification method using radar frontal imaging measured by millimeter-wave multiple-input multiple-output (MW-MIMO) radar through deep convolutional neural networks. Autonomous vehicles must classify targets in front of the vehicle to attain better situational awareness. We use 2D sparse array radar to capture the frontal images of objects on the road, such as sedans, vans, trucks, humans, poles, and trees. The frontal image includes information regarding not only the shape of a target but also the reflection characteristics of each part of the target. The measured frontal images are classified by deep convolutional neural networks, and the classification rate yielded 87.1% for six classes and 92.6% for three classes.
Risk-Limiting Economic Dispatch for Electricity Markets With Flexible Ramping Products (2015)

The expected increase in the penetration of renewables in the approaching decade urges the electricity market to introduce new products-in particular, flexible ramping products-to accommodate the renewables' variability and intermittency. A risk-limiting economic dispatch scheme provides the means to optimize the dispatch and provision of these products. In this paper, we adopt the extended loss-of-load probability as the definition of risk. We first assess how the new products distort the optimal economic dispatch by comparing to the case without such products. Specifically, using parametric analysis, we establish the relationship between the minimal generation cost and the two key parameters of the new products: the up- and down-flexible ramping requirements. Such relationship yields a novel routine to efficiently solve the non-convex risk-limiting economic dispatch problem. Both theoretical analysis and simulation results suggest that our approach may substantially reduce the cost for incorporating the new products. We believe our approach can assist the ISOs with utilizing the ramping capacities in the system at the minimal cost.
Efficient Sphere Polar Decoding via Synchronous Determination (2020)

Sphere polar decoding can achieve the maximum likelihood (ML) bound. Existing sphere polar decoding ignores that the Euclidean distance of the frozen bits can be determined at earlier decoding levels. In this article, efficient sphere polar decoding is proposed to reduce the complexity. The set-by-set decoding process via synchronous determination is applied to the sphere polar decoding with fixed lower bounds and its multiple-searches version. Numeric results show the proposed decoding reduces much complexity on the low-rate codes compared with the existing sphere decoding while maintaining the same performance. At high signal-to-noise ratios, the latency of the proposed decoding is comparable with the successive cancellation list decoding.
The Albicidin Resistance Factor AlbD Is a Serine Endopeptidase That Hydrolyzes Unusual Oligoaromatic-Type Peptides (2015)

The para-aminobenzoic acid-containing peptide albicidin is a pathogenicity factor synthesized by Xanthomonas albilineans in infections of sugar cane. Albicidin is a nanomolar inhibitor of the bacterial DNA gyrase with a strong activity against various Gram-negative bacteria. The bacterium Pantoea dispersa expresses the hydrolase AlbD, conferring natural resistance against albicidin. We show that AlbD is a novel type of endopeptidase that catalyzes the cleavage of albicidin at a peptide backbone amide bond, thus abolishing its antimicrobial activity. Additionally, we determined the minimal cleavage motif of AlbD with substrates derived by chemical synthesis. Our results clearly identify AlbD as a unique endopeptidase that is the first member of a new subfamily of peptidases. Our findings provide the molecular basis for a natural detoxification mechanism, potentially rendering a new tool in biological chemistry approaches.