gebhart/patrepeval huggingface dataset:
Anticancer drug potential of “noncovalent” platinum compounds. The biology of the phosphate clamp. (2007)

B37 The development of all clinically used platinum anti-cancer drugs has been predicated on the concept that irreversible platinum-DNA adduct formation is the ultimate molecular mechanism of cytotoxicity. The necessity for substitution-labile ligands (Cl - , dicarboxylato) for Pt-DNA bond formation also means that many ‘side-reactions” occur with protein residues which may affect toxicity and/or metabolism. Recently, using highly charged “non-covalent” polynuclear platinum agents denominated TriplatinNC, a discrete new mode of DNA binding, the phosphate clamp, has been reported [1]. TriplatinNC is a direct analog of the Phase II drug BBR3464, with which it shares many structural similarities. The mode of DNA-binding of TriplatinNC requires only backbone and minor groove interactions between platinum-am(m)ine units and phosphate oxygens reminiscent of the arginine-RNA recognition motif, the arginine fork [1]. In terms of drug development, TriplatinNC is of interest because it does not contain substitution-labile ligands and is a further advance away from the structure-activity paradigm of platinum drugs. This contribution summarizes the biology and potential anti-cancer utility of TriplatinNC. Remarkably, cytotoxicity in human tumor cells is similar to cisplatin. The effect of chain length (n =4,5) is not significant with respect to cytotoxicity and emphasis has been placed on the n=6 derivative. Cytotoxicity is significantly less dependent on p53 status. TriplatinNC induced p53 expression in HCT116 cells; however, its cytotoxicity was not affected by p53 deletion. TriplatinNC further differs from BBR3464, by inducing G1 rather than G2 cell cycle arrest in HCT116 cells. Unlike c-DDP, oxaliplatin, and BBR3464; TriplatinNC was able to circumvent deactivation by glutathione since its cytotoxicity was not affected by inhibition of glutathione synthesis. The antitumor activity of TriplatinNC was also examined in vivo showing higher activity against 2008 ovarian carcinoma cells than c-DDP at the doses administered. The study illustrates fundamental differences in the mechanisms of action between noncovalent binding drugs like TriplatinNC and structurally related covalent binding drugs such as c-DDP, oxaliplatin, and BBR3464.  [1] S. Komeda et al., J. AM. CHEM. SOC. 2006 , 128, 16092-16103
Molecular evidence for selective localization of a quantum solvent: OCS in helium droplets (2001)

Quantum calculations are carried out, using Diffusion Monte Carlo (DMC) methods, to establish the locations of the initial 4He atoms surrounding a molecular impurity (the OCS molecule) within a helium droplet of variable size. The results for the first solvation shell of 17-20 atoms and beyond indicate a marked change in the level of delocalization of the adatoms after the first 6-8 of them. Additional DMC computations that explicitly include the effects of a rotating complex under a rigid-coupling assumption suggest that such a number of atoms is already sufficient to create the effective rotational constant of the solvated dopant molecule found by recent experiments.
Apparatus and method for producing an artificial gravitational field (1993)

An apparatus and method is disclosed for producing an artificial gravitational field in a spacecraft by rotating the same around a spin axis. The centrifugal force thereby created acts as an artificial gravitational force. The apparatus includes an engine which produces a drive force offset from the spin axis to drive the spacecraft towards a destination. The engine is also used as a counterbalance for a crew cabin for rotation of the spacecraft. Mass of the spacecraft, which may include either the engine or crew cabin, is shifted such that the centrifugal force acting on that mass is no longer directed through the center of mass of the craft. This off-center centrifugal force creates a moment that counterbalances the moment produced by the off-center drive force to eliminate unwanted rotation which would otherwise be precipitated by the offset drive force.
pH-Responsive Movement of Cucurbit[7]uril in a Diblock Polypseudorotaxane Containing Dimethyl β-Cyclodextrin and Cucurbit[7]uril (2006)

[Structure: see text] A polypseudorotaxane consisting of cucurbit[7]uril (CB[7])/N,N'-(3-phenylenebis(methylene)dipropargylamine (PMPA), [2]pseudorotaxane, and 2,6-O-dimethyl beta-cyclodextrin (DM-beta-CD)/alpha,omega-bisazidopropylene glycol 400 [2]pseudorotaxane was synthesized using the "click" reaction. The polypseudorotaxane structure was maintained in aqueous solution over a wide range of pH values with the DM-beta-CD units contributing to increased solubilization of the polypseudorotaxane without dethreading. The pH-responsive movement of the CB[7] units in the polypseudorotaxane was also observed.
Three Tools for Practical Differential Privacy (2018)

Differentially private learning on real-world data poses challenges for standard machine learning practice: privacy guarantees are difficult to interpret, hyperparameter tuning on private data reduces the privacy budget, and ad-hoc privacy attacks are often required to test model privacy. We introduce three tools to make differentially private machine learning more practical: (1) simple sanity checks which can be carried out in a centralized manner before training, (2) an adaptive clipping bound to reduce the effective number of tuneable privacy parameters, and (3) we show that large-batch training improves model performance.
Coronas preformadas de acero inoxidable recubiertas con resina para la restauración de incisivos primarios (1997)

Se han puesto a la venta coronas de acero inoxidable con facetas de resina adheridas para incisivos primarios. Estas coronas con facetas esteticas ya incorporadas fueron desarrolladas como solucion comoda, duradera, segura, y estetica al problema siempre dificil de restauracion de incisivos primarios intensamente cariados. Este articulo describe las coronas con facetas ya incorporadas, revisa sus ventajas y desventajas, y detalla la tecnica para la colocacion dde dichas restauraciones.
(Quintessence Int 1996; 27: 309-313)
Surface Customized Optical Microresonator Sensors for Integrated Chip-Scale Portable Sensing Applications (2007)

Vertically coupled microring sensors with a chemically selective polymer membrane surface customization have been demonstrated and experimentally characterized for two different target analytes (toluene and xylene) for the first time. The E/Pco polymer membrane coating utilizes selective diffusion to identify the target class of analytes. This selective membrane coating thus enables a non specific index of refraction sensor such as the demonstrated optical microresonator to achieve a higher level of analyte selectivity.
Table S1 from Improving CART-Cell Therapy of Solid Tumors with Oncolytic Virus–Driven Production of a Bispecific T-cell Engager (2023)

&lt;p&gt;The file contains the supplementary table S1&lt;/p&gt;
Optically Active Phospholanes as Substituents on Ferrocene and Chromium‐Arene Complexes (2004)

Abstract An improved synthesis of ( R , R )‐ and ( S , S )‐hexane‐2,5‐diol is presented. The ( S , S )‐derivative was converted into a cyclic sulfate, which on treatment with NaPH 2 in liquid ammonia ultimately gave the secondary ( R , R )‐2,5‐dimethylphospholane. This phospholane can be introduced into the side chain of chiral tricarbonylchromium and ferrocene derivatives to give new bidentate ligands of the Josiphos and Daniphos type. Both the ferrocene‐ and tricarbonylchromium‐based diphosphanes have been characterized by X‐ray diffraction analysis. A discussion of their structural features is included. The new ligands were successfully applied to the enantioselective hydrogenation of itaconic acid esters. (© Wiley‐VCH Verlag GmbH &amp; Co. KGaA, 69451 Weinheim, Germany, 2004)
Locating highly connected nodes in P2P networks with heterogeneous structures (2009)

Peer-to-peer (P2P) networks aggregate enormous storage and processing resources while minimizing entry and scaling costs. Gnutella-like P2P networks are complex heterogeneous networks, in which the underlying overlay topology has a power-law node degree distribution. While scale-free networks have great robustness against random failures, they are vulnerable to deliberate attacks where highly connected nodes are eliminated. Since high degree nodes play an important role in maintaining the connectivity, this paper presents an algorithm based on random walks to locate high degree nodes in P2P networks. Simulations demonstrate that the algorithm performs well in various scenarios and that heterogeneous P2P networks are very sensitive to deliberate attacks.
In Situ Characterization of Alloy Catalysts for Low-Temperature Graphene Growth (2012)

Low-temperature (450 °C), scalable chemical vapor deposition of predominantly monolayer (74%) graphene films with an average D/G peak ratio of 0.24 and domain sizes in excess of 220 μm2 is demonstrated via the design of alloy catalysts. The admixture of Au to polycrystalline Ni allows a controlled decrease in graphene nucleation density, highlighting the role of step edges. In situ, time-, and depth-resolved X-ray photoelectron spectroscopy and X-ray diffraction reveal the role of subsurface C species and allow a coherent model for graphene formation to be devised.
Supplementary Figure S3 from Molecular Subtypes of Head and Neck Cancer in Patients of African Ancestry (2023)

&lt;p&gt;Oropharyngeal HNC subtype mutations and copy number alterations by race&lt;/p&gt;
Genomic properties of new transducing phages and mobile genetic elements of Staphylococcus epidermidis (2020)

Staphylococcus epidermidis mobile genetic elements (MGE), including temperate phages and phage-inducible chromosomal islands (PICI), are still not well described. However, through the horizontal gene transfer, they determine properties such as antibiotic resistance and/or virulence to their hosts. Our work characterizes new bacteriophages able to transduce S. epidermidis PICIs and plasmids. Genomes of four temperate siphoviruses and their propagation strains were obtained using Oxford Nanopore and Illumina sequencing technology. Phage genomes were described and compared in detail. Differences found in otherwise conservative modules of morphogenesis and DNA packaging possibly played a role in frequency of PICI and plasmid transduction. Different PICIs localized in host genomes contain known and/or putative resistance genes as well as genes for helper phage virion assembly alteration. In portion of helper phage particles, noticeable changes in capsid morphology were observed. Our findings confirm the important role of transducing phages in the evolution of S. epidermidis strains and outline host mechanisms of phage infection disruption. This work was supported by Grant of Czech Science Foundation (GA18-13064S) and Development Fund of Masaryk University MUNI/FR/1181/2018.
Arginase Inhibition by Ethylacetate Extract of<i>Caesalpinia sappan</i>Lignum Contributes to Activation of Endothelial Nitric Oxide Synthase (2011)

Caesalpinia sappan (C. sappan) is a medicinal plant used for promoting blood circulation and removing stasis. During a screening procedure on medicinal plants, the ethylacetate extract of the lignum of C. sappan (CLE) showed inhibitory activity on arginase which has recently been reported as a novel therapeutic target for the treatment of cardiovascular diseases such as atherosclerosis. CLE inhibited arginase II activity prepared from kidney lysate in a dose-dependent manner. In HUVECs, inhibition of arginase activity by CLE reciprocally increased NOx production through enhancement of eNOS dimer stability without any significant changes in the protein levels of eNOS and arginase II expression. Furthermore, CLE-dependent arginase inhibition resulted in increase of NO generation and decrease of superoxide production on endothelium of isolated mice aorta. These results indicate that CLE augments NO production on endothelium through inhibition of arginase activity, and may imply their usefulness for the treatment of cardiovascular diseases associated with endothelial dysfunction.
Pointing and tracking position control system for electrical drives with elastic transmission (2000)

In controlled electrical drives with considerable transmission elasticity it is convenient to use a high-order speed controller such as a state controller or a polynomial controller instead of a proportional-integral speed controller
Subchannel Allocation with Low Computational and Signaling Complexity in 5G D2D Networks (2021)

Device-to-device (D2D) communication enables novel proximity services based applications in 5G networks. In underlay D2D, cellular users share subchannels with D2D users leading to interference between them. To efficiently manage the interference and assign D2D pairs to subchannels, we propose a novel relaxation-pruning algorithm (RPA). It allocates at most K D2D pairs per subchannel, where K is a system parameter that controls the trade-off between spatial reuse and inter-D2D interference. RPA is designed for a low signaling overhead scenario. In it, a D2D user feeds back a quantized rate to the base station that meets an outage probability constraint even though the user has only statistical knowledge of the inter-D2D and inter-cell interferences. RPA has polynomial-time complexity. It provably guarantees a D2D sum rate that is at least half of the optimal value, achieving which requires exponential complexity. This is unlike conventional approaches that offer no such performance guarantees or a weaker guarantee. Numerical results show that the D2D sum throughput of RPA is better than conventional algorithms and is within 1% of the optimal value.
Nematic Nanotube Gels (2004)

We report the creation of nematic nanotube gels containing large domains of isolated, oriented, half-micron-long, single-wall carbon nanotubes (SWNTs). We make them by homogeneously dispersing surfactant coated SWNTs at low concentration in an N-isopropyl acrylamide gel and then inducing a volume-compression transition. These gels exhibit hallmark properties of a nematic: birefrigence, anisotropy in optical absorption, and disclination defects. We also investigate the isotropic-to-nematic transition of these gels, and we describe the physical properties of their ensuing nematic state, including a novel buckling of sample walls. Finally, we provide a simple model to explain our observations.
A Low Profile Planar Dual-Polarized Tightly Coupled Dipole Reflectarray With 5:1 Bandwidth (2022)

This work introduces an extremely low profile ( <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$0.4\lambda _{high}$ </tex-math></inline-formula> ) planar ultra-wideband dual-polarized reflectarray. The unit-cell structure of the array is modular in nature, and without any electrical connection between adjacent unit-cells. The array uses tightly coupled dipoles arranged in an egg-crate fashion connected with true-time-delay lines. This array provides the required phase in the highest ever reported bandwidth of 5:1 (3 to 15 GHz) with VSWR< 2.5 for a planar reflectarray. The implementation of the delay-lines is done using a sandwich configuration between two conductive planes, which significantly improves the cross-polarization purity of our reflectarray. To validate our design concept, an <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$18\times 18$ </tex-math></inline-formula> element ( <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$135\times 135$ </tex-math></inline-formula> mm) reflectarray is designed, fabricated, and measured. The measurements exhibit excellent agreement with the simulations.
Interference Analysis for Femtocell Deployment in OFDMA Systems Based on Fractional Frequency Reuse (2011)

In OFDMA systems adopting fractional frequency reuse, we can allocate orthogonal bandwidth to femtocells, which mitigates throughput degradation of macrocell users. In this paper, we discuss the optimal power allocation for femtocells with different orthogonal subbands, based on analysis of macrocell interferences.
The 3D structures of Ca <sup>2+</sup> ‐S100B in Zn <sup>2+</sup> ‐ and pentamidine‐bound complexes as determined by X‐ray crystallography (2007)

Structural studies are part of a rational drug design program underway to inhibit the S100B‐p53 interaction and restore p53 function in malignant melanoma. Specifically, co‐crystals of Zn 2+ ‐Ca 2+ ‐S100B and pentamidine‐ Zn 2+ ‐Ca 2+ ‐S100B diffracted to 2.35 and 2.2 Å in the space groups C2221 and P41212, respectively. Both structures were solved by X‐ray crystallography using molecular replacement techniques to give 3D structures with R free values of 0.277 and 0.281, respectively. Pentamidine binds adjacent to Zn 2+ in a small pocket located at the S100B dimer interface and the electron density is more readily defined for the inhibitor when Zn 2+ is present. The location of pentamidine in the crystal structure is consistent with NMR data including intermolecular NOE correlations, saturation transfer difference (STD), and chemical shift perturbations. The location of pentamidine nearby the Zn 2+ site on S100B represents a new small molecule binding site, adjacent to the p53 binding site, which could be important for developing inhibitors of the S100B‐p53 interaction.
Environmental Health: A Global Access Science Source (2002)

Background: A previous observational study detected a strong positive relationship between sick leave absences and carbon dioxide (CO2) concentrations in office buildings in the Boston area. The authors speculated that the observed association was due to a causal effect associated with low dilution ventilation, perhaps increased airborne transmission of respiratory infections. This study was undertaken to explore this association. Methods: We conducted an intervention study of indoor CO2 levels and sick leave among hourly office workers employed by a large corporation. Outdoor air supply rates were adjusted periodically to increase the range of CO 2 concentrations. We recorded indoor CO 2 concentrations every 10 minutes and calculated a CO2 concentration differential as a measure of outdoor air supply per person by subtracting the 1–3 a.m. average CO2 concentration from the same-day 9 a.m. – 5 a.m. average concentration. The metric of CO 2 differential was used as a surrogate for the concentration of exhaled breath and for potential exposure to human source airborne respiratory pathogens. Results: The weekly mean, workday, CO2 concentration differential ranged from 37 to 250 ppm with a peak CO 2 concentration above background of 312 ppm as compared with the American Society of Heating, Refrigeration and Air-conditioning Engineers (ASHRAE) recommended maximum differential of 700 ppm. We determined the frequency of sick leave among 294 hourly workers scheduled to work approximately 49,804.2 days in the study areas using company records. We found no association between sick leave and CO 2 differential Conclusions: The CO 2 differential was in the range of very low values, as compared with the ASHRAE recommended maximum differential of 700 ppm. Although no effect was found, this study was unable to test whether higher CO2 differentials may be associated with increased sick leave.
The Role of Metal and Acid Sites in the Liquid‐phase Hydrodeoxygenation of Lignin‐derived Phenolic Dimers (2023)

Abstract Bio‐oil obtained from the depolymerization of lignocellulosic biomass is a potential alternative source to replace fossil fuels. However, due to high oxygen content, the bio‐oil must be upgraded. In this direction, the hydrodeoxygenation reaction (HDO) is widely applied. Considering the complex chemical composition of the bio‐oil, a variety of model molecules have been used in the literature to study the mechanism of the HDO process. In this work, we discuss heterogeneous catalysts and reaction conditions (temperature, pressure, and solvent) generally used for the HDO of dimeric aryl ethers representative of the main ether linkages present in the lignin:α‐O‐4, β‐O‐4, and 4‐O‐5. The present work aims to shed light on the role of metal and acid sites and understand the influence of the reaction conditions on the reaction pathways.
An Electro–Microbial Process to Uncouple Food Production from Photosynthesis for Application in Space Exploration (2022)

Here we propose the concept of an electro&amp;ndash;microbial route to uncouple food production from photosynthesis, thereby enabling production of nutritious food in space without the need to grow plant-based crops. In the proposed process, carbon dioxide is fixed into ethanol using either chemical catalysis or microbial carbon fixation, and the ethanol created is used as a carbon source for yeast to synthesize food for human or animal consumption. The process depends upon technologies that can utilize electrical energy to fix carbon into ethanol and uses an optimized strain of the yeast Saccharomyces cerevisiae to produce high quality, food grade single cell protein using only ethanol, urea, phosphate, and inorganic salts as inputs. Unlike crops using photosynthesis that require months to mature and are challenging to grow under the conditions found in space, the electro&amp;ndash;microbial process could generate significant quantities of food on demand with potentially high yields and productivities. In this paper we explore the potential of the proposed process to provide food on demand in space, but it should be noted that this novel approach to food production has many valuable terrestrial applications too. For example, enabling food production in climatically challenged environments including turning deserts into food bowls, or utilizing surplus electricity generated from large-scale renewable power sources.
Combined spectrally encoded confocal microscopy and optical frequency domain imaging system (2009)

Spectrally encoded confocal microscopy (SECM) and optical frequency domain imaging (OFDI) are two reflectancebased imaging technologies that may be utilized for high-resolution microscopic screening of internal organs. SECM provides en face images of tissues with a high lateral resolution of 1-2 &mu;m, and a penetration depth of up to 300 &mu;m. OFDI generates cross-sectional images of tissue architecture with a resolution of 10-20 &#956;m and a penetration depth of 1- 2 mm. Since the two technologies yield complementary microscopic information on two different size scales (SECM-cellular and OFDI-architectural) that are commonly used for histopathologic evaluation, their combination may allow for more accurate optical diagnosis. Here, we report the integration of these two imaging modalities in a single bench top system. SECM images of swine small intestine showed the presence of goblet cells, and OFDI images revealed the finger-shaped villous architecture. In clinical study of 9 gastroesophageal biopsies from 8 patients, a diverse set of architectural and cellular features was observed, including squamous mucosa with mild hyperplasia and gastric antral mucosa with gastric pits and crypts. The capability of this multimodality device to enable the visualization of microscopic features on these two size scales supports our hypothesis that improved diagnostic accuracy may be obtained by merging these two technologies into a single instrument.