gebhart/patrepeval huggingface dataset:
Treatment of Wilson's disease with zinc: XI. Interaction with other anticopper agents. (1993)

Zinc (Zn) is increasingly being used as a treatment for Wilson's disease. Some physicians have been prescribing Zn in conjunction with other anticopper agents, such as penicillamine or trien, although theoretically these drugs might be antagonistic in their effects. In addition, Wilson's disease patients quite often take vitamin C in high doses in conjunction with Zn therapy, and there are indications of possible interactions among vitamin C, Zn and copper (Cu). Interactions of penicillamine, trien, and vitamin C with Zn have not been previously studied in terms of the potential effects of these agents on Zn efficacy in Wilson's disease. Here we have studied these interactions in the maintenance phase of therapy, using Cu balance and absorption of orally administered 64Cu as endpoints. We find evidence for probable interactions of both penicillamine and trien with Zn; however, the end result on Cu balance is about the same with Zn alone as it is with Zn plus one of the other agents. Thus, there appear to be no advantages to concomitant administration. We find no detectable interaction of Zn and vitamin C on Cu balance, when vitamin C is taken in daily doses of 1000 mg.
Roles of active forms of vitamin D in supporting innate immune systems and in reducing excess inflammation in COVID-19 (2021)

A reduced supply of micronutrient vitamin D leads to a more severe course of coronavirus infection (COVID-19). Vitamin D deficiency is combined with a decrease in innate antiviral immunity and excess of inflammation. Vitamin D supplementation stimulates the synthesis of antibacterial peptides and is important for weakening the cytokine storm, reducing excessive acute and chronic inflammation, and also for compensating for chronic comorbid pathologies. Active forms of vitamin D (alfacalcidol, etc.) are of particular importance for compensating for vitamin D deficiency in elderly patients, endocrine-immune dysfunction, sarcopenia, chronic renal failure (in which the metabolism of vitamin D in the kidneys is disturbed).
Quantum Drude friction for time-dependent density functional theory (2008)

Friction is a desired property in quantum dynamics as it allows for localization, prevents backscattering, and is essential in the description of multistage transfer. Practical approaches for friction generally involve memory functionals or interactions with system baths. Here, we start by requiring that a friction term will always reduce the energy of the system; we show that this is automatically true once the Hamiltonian is augmented by a term of the form integral a(q;n(0)) x [partial differential j(q,t)/partial differential t] x J(q)dq, which includes the current operator times the derivative of its expectation value with respect to time, times a local coefficient; the local coefficient will be fitted to experiment, to more sophisticated theories of electron-electron interaction and interaction with nuclear vibrations and the nuclear background, or alternately, will be artificially constructed to prevent backscattering of energy. We relate this term to previous results and to optimal control studies, and generalize it to further operators, i.e., any operator of the form integral a(q;n(0))[partial differential c(q,t)/partial differential t] x C(q)dq (or a discrete sum) will yield friction. Simulations of a small jellium cluster, both in the linear and highly nonlinear excitation regime, demonstrate that the friction always reduces energy. The energy damping is essentially double exponential; the long-time decay is almost an order of magnitude slower than the rapid short-time decay. The friction term stabilizes the propagation (split-operator propagator here), therefore increasing the time-step needed for convergence, i.e., reducing the overall computational cost. The local friction also allows the simulation of a metal cluster in a uniform jellium as the energy loss in the excitation due to the underlying corrugation is accounted for by the friction. We also relate the friction to models of coupling to damped harmonic oscillators, which can be used for a more sophisticated description of the coupling, and to memory functionals. Our results open the way to very simple finite grid description of scattering and multistage conductance using time-dependent density functional theory away from the linear regime, just as absorbing potentials and self-energies are useful for noninteracting systems and leads.
Self‐Assembly: Oriented Assembly of Gold Nanorods on the Single‐Particle Level (Adv. Funct. Mater. 4/2012) (2012)

Aligning shape-anisotropic nano-objects is a heavily studied topic. On page 702, Heiko Wolf and coworkers demonstrate the oriented assembly of gold nanorods with single-particle resolution. Assembly is achieved from a dense phase of nanorods at the meniscus of an aqueous suspension through capillary forces. The parallel alignment of arrayed gold nanorods becomes evident from their characteristic plasmon colors (red, green) when observed through a polarizer.
An Ultra-Linear Modulator with Inherent SFDR Compensation Capability (2010)

We show a novel and inherent technique for maintaining high linearity in an ultra linear ring-resonator (RR)-based modulator. It compensates for SFDR degradation due to resonator waveguide losses and/or deviation of RR waveguide coupling coefficient.
ChemInform Abstract: NEW SYNTHESIS AND SOME SELECTED REACTIONS OF THE POTENTIAL ERGOT ALKALOID PRECURSOR INDOLE‐4‐CARBOXALDEHYDE (1980)

Abstract 2‐Methyl‐3‐nitro‐benzoesäure (Ia) wird zu (Ib) verestert und dann in Dimethylformamidacetal (II) zum Enamin (III) kondensiert.
Efficacy of avapritinib versus best available therapy in the treatment of advanced systemic mastocytosis (2022)

Advanced systemic mastocytosis (AdvSM) is a rare myeloid neoplasm associated with poor overall survival (OS). This study (NCT04695431) compared clinical outcomes between patients with AdvSM treated with avapritinib in the Phase 1 EXPLORER (NCT0256198) and Phase 2 PATHFINDER (NCT03580655) trials (N = 176) and patients treated with best available therapy (BAT; N = 141). A multi-center, observational, retrospective chart review study was conducted at six study sites (four European, two American) to collect data from patients with AdvSM who received BAT; these data were pooled with data from EXPLORER and PATHFINDER. Comparisons between outcomes of OS, duration of treatment (DOT), and maximum reduction in serum tryptase were conducted between the treatment cohorts, with adjustment for key covariates. The results indicated that the avapritinib cohort had significantly better survival (adjusted hazard ratio (HR) (95% confidence interval (CI)): 0.48 (0.29, 0.79); p = 0.004) and significantly longer DOT (HR: 0.36 (0.26, 0.51); p < 0.001) compared to the BAT cohort. Additionally, the mean difference in percentage maximum reduction in serum tryptase levels was 60.3% greater in the avapritinib cohort (95% CI: -72.8, -47.9; p < 0.001). With no randomized controlled trials comparing avapritinib to BAT, these data offer crucial insights into the improved efficacy of avapritinib for the treatment of AdvSM.
Chirality in Dendritic Architectures (1997)

Abstract At first glance the topic of chiral dendrimers seems to be a contradiction in terms. However, recent studies reveal that both the building blocks of the dendrimer and the overall dendritic architecture can be chiral and that chirality can be introduced at various levels. The expression of optical activity in these enantiomerically pure dendrimers as a result of conformational (dis)order has proven to be of special interest. In this Concepts article we present the different approaches to introducing chirality in dendritic architectures, organized through their possible impact in fields such as biocompatibility, catalysis, molecular recognition, and surface chemistry. Also, the relation between molecular chirality of core or building block and the macroscopic chirality of dendritic objects is discussed.
Combinatorial survey of fluorinated plasma etching in the silicon-oxygen-carbon-nitrogen-hydrogen system (2016)

New multipass optical lithography patterning methods needed to print features for future &amp;lt;10 nm technologies will demand an increasingly complex combination of hardmasks, antireflection coatings, spacers, and etch stopping materials with distinct yet complementary properties. Finding the right mix, however, has proven particularly challenging given that the materials most commonly used are drawn from a limited set of Si- and C-based solids comprising Si, C, O, N, and H. To understand and maximize the limits of this composition space, the authors have performed a combinatorial survey of the dry etch characteristics for the Si-C-O-N-H system with the goal of understanding material composition–etch interactions and identifying material subclasses with distinct etch properties. Over 50 thin films sampling Si-C-O-N-H composition space were surveyed using two fluorinated etches commonly utilized for selective patterning of SiO2 and a-SiN:H dielectrics (CHF3 and CF4/O2, respectively). It was found that the incorporation of oxygen in a-SiN:H allowed for significant tuning of the etch rate of a-SiON:H materials relative to SiO2. Additionally, increasing hydrogen content and nanoporosity significantly increased the etch rate of the various dielectric materials independent of the Si, C, O, and N content. The influence of carbon depended on whether it was incorporated as terminal organic groups, where it resulted in increased etch rates, or directly within the network of the material, where it resulted in decreased etch rates. Silicon- and carbon-rich materials exhibited very low etch rates in both etches and were found to have the most distinct and potentially complementary etch properties relative to SiO2 and a-SiN:H. Accordingly, a-C:H, a-Si:H, and a-SiC:H merit further examination as hardmask or spacer materials in future multipass patterning processes.
Definitions and Standardized Endpoints for Treatment of Coronary Bifurcations (2023)

The Bifurcation Academic Research Consortium (Bif-ARC) project originated from the need to overcome the paucity of standardization and comparability between studies involving bifurcation coronary lesions. This document is the result of a collaborative effort between academic research organizations and the most renowned interventional cardiology societies focused on bifurcation lesions in Europe, the United States, and Asia. This consensus provides standardized definitions for bifurcation lesions; the criteria to judge the side branch relevance; the procedural, mechanistic, and clinical endpoints for every type of bifurcation study; and the follow-up methods. Considering the complexity of bifurcation lesions and their evaluation, detailed instructions and technical aspects for site and core laboratory analysis of bifurcation lesions are also reported. The recommendations included within this consensus will facilitate pooled analyses and the effective comparison of data in the future, improving the clinical relevance of trials in bifurcation lesions, and the quality of care in this subset of patients.
Integrated, stretched, and adiabatic solid effects (2022)

This paper presents a theory describing the dynamic nuclear polarization (DNP) process associated with an arbitrary frequency swept microwave pulse. The theory is utilized to explain the integrated solid effect (ISE) as well as the newly discovered stretched solid effect (SSE) and adiabatic solid effect (ASE). It is verified with experiments performed at 9.4 GHz (0.34 T) on single crystals of naphthalene doped with pentacene-d14. It is shown that SSE and ASE can be more efficient than ISE. Furthermore, the theory predicts that the efficiency of the SSE improves at high magnetic fields, where the EPR linewidth is small compared to the nuclear Larmor frequency. In addition, we show that ISE, SSE, and ASE are based on similar physical principles and we suggest definitions to distinguish among them.
Physical Activity Delays Obesity-Associated Pancreatic Ductal Adenocarcinoma in Mice and Decreases Inflammation (2023)

PA alone or combined with diet-induced weight loss delayed the progression of PDAC and reduced systemic and adipose inflammatory signals. Therefore, obesity management via dietary interventions and/or PA, or modulating weight loss related pathways could prevent obesity-associated PDAC in high-risk obese individuals.
Towards Community Detection in Locally Heterogeneous Networks (2011)

In recent years, the size of many social networks such as Facebook, MySpace, and LinkedIn has exploded at a rapid pace, because of its convenience in using the internet in order to connect geographically disparate users. This has lead to considerable interest in many graph-theoretical aspects of social networks such as the underlying communities, the graph diameter, and other structural information which can be used in order to mine useful information from the social network. The graph structure of social networks is influenced by the underlying social behavior, which can vary considerably over different groups of individuals. One of the disadvantages of existing schemes is that they attempt to determine global communities, which (implicitly) assume uniform behavior over the network. This is not very well suited to the differences in the underlying density in different regions of the social network. As a result, a global analysis over social community structure can result in either very small communities (in sparse regions), or communities which are too large and incoherent (in dense regions). In order to handle the challenge of local heterogeneity, we will explore a simple property of social networks, which we refer to as the local succinctness property. We will use this property in order to extract compressed descriptions of the underlying community representation of the social network with the use of a min-hash approach. We will show that this approach creates balanced communities across a heterogeneous network in an effective way. We apply the approach to a variety of data sets, and illustrate its effectiveness over competing techniques.
Mechanism of asymmetric ovarian development in chick embryos (2008)

In most animals, the gonads develop symmetrically, but most birds develop only a left ovary. A possible role for estrogen in this asymmetric ovarian development has been proposed in the chick, but the mechanism underlying this process is largely unknown. Here, we identify the molecular mechanism responsible for this ovarian asymmetry. Asymmetric PITX2 expression in the left presumptive gonad leads to the asymmetric expression of the retinoic-acid (RA)-synthesizing enzyme, RALDH2, in the right presumptive gonad. Subsequently, RA suppresses expression of the nuclear receptors Ad4BP/SF-1 and estrogen receptor alpha in the right ovarian primordium. Ad4BP/SF-1 expressed in the left ovarian primordium asymmetrically upregulates cyclin D1 to stimulate cell proliferation. These data suggest that early asymmetric expression of PITX2 leads to asymmetric ovarian development through up- or downregulation of RALDH2, Ad4BP/SF-1, estrogen receptor alpha and cyclin D1.
Targeting Staufen 1 with antisense oligonucleotides for treating ALS and SCA2 (2022)

ABSTRACT Staufen1 (STAU1) is a multifunctional RNA binding protein that controls mRNA degradation and subcellular localization. STAU1 interacts with the ATXN2 protein, that is polyglutamine expanded in spinocerebellar ataxia type 2 (SCA2). We previously showed that STAU1 is elevated and aggregated in cells from SCA2 patients, cells from amyotrophic lateral sclerosis (ALS) patients, and in SCA2 and ALS mouse models. We also found that reduction of STAU1 abundance in vivo by genetic interaction improved motor behavior in an SCA2 mouse model, normalized the levels of several SCA2-related proteins, and reduced aggregation of polyglutamine-expanded ATXN2. Here we developed antisense oligonucleotides (ASOs) lowering STAU1 expression toward developing a therapeutic that may be effective for treating SCA2 and ALS. We performed a screen of 118 20mer phosphorothioate 2’- O -methoxyethyl (MOE) ASO gapmers targeting across the STAU1 mRNA coding region for lowering STAU1 expression in HEK-293 cells. ASO hits lowering STAU1 by &gt;45 % were rescreened in SCA2 patient fibroblasts, and 10 of these were tested for lowering STAU1 abundance in vivo in a new BAC-STAU1 mouse model. This identified efficacious ASOs targeting human STAU1 in vivo that normalized autophagy marker proteins, including ASO-45 that also targets mouse Stau1 . When delivered by intracerebroventricular (ICV) injection, ASO-45 normalized autophagy markers and abnormal mRNA abundances in cerebella of ATXN2-Q127 SCA2 mice, as well as ChAT, NeuN and cleaved caspase-3 in spinal cord of Thy1- TDP-43 transgenic mice. Targeting STAU1 may be an effective strategy for treating ALS and SCA2 as well as other disorders characterized by its overabundance.
The matrix M/M/∞ system: retrial models and Markov Modulated sources (1993)

The matrix-geometric work of Neuts could be viewed as a matrix variant of M/M/ 1. A 2 × 2 matrix counterpart of Neuts for M/M/ ∞ is introduced, the stability conditions are identified, and the ergodic solution is solved analytically in terms of the ten parameters that define it. For several cases of interest, system properties can be found from simple analytical expressions or after easy numerical evaluation of Kummer functions. When the matrix of service rates is singular, a qualitatively different solution is derived. Applications to telecommunications include some retrial models and an M/M/ ∞ queue with Markov-modulated input.
Phosphorus and arsenic penetration studies through HfSixOy and HfSixOyNz films (2002)

Phosphorus and arsenic penetration studies from P- and As-doped polycrystalline silicon through HfSixOy and HfSixOyNz (18% N) alternate gate dielectric candidates films into Si(100) are presented using a combination of chemical etching and secondary ion mass spectrometry (SIMS). Penetration is observed through HfSixOy after 1050 and 1000 °C rapid thermal annealing for As and P, respectively. In contrast, As or P dopant penetration is at the SIMS limit of detection for HfSixOyNz films. By modeling the P and As depth profiles in the Si substrate, their respective diffusivities in HfSixOy are higher than the corresponding diffusivities in SiO2. The enhanced dopant diffusivity observed in HfSixOy is proposed to be due to grain boundary formation in the dielectric after crystallization from annealing.
Sub-4 nm Nanodiamonds from Graphene-Oxide and Nitrated Polycyclic Aromatic Hydrocarbons at 423 K (2021)

Nanodiamonds are interesting materials from the point of view of their biocompatibility and their chemical, spectroscopic, and mechanical properties. Current synthetic methods for nanodiamonds involve harsh environments, which are potentially hazardous in addition to being expensive. We report a low-temperature (423 K) hydrothermal approach to form nanodiamonds by using graphene-oxide or nitrated polycyclic aromatic hydrocarbons (naphthalene, anthracene, phenanthrene, or pyrene) as a starting material. The reaction products contain single-crystalline or twinned nanodiamonds with average diameters in the 2-3 nm range. Theoretical calculations prove that, at the nanoscale, sub-4 nm nanodiamonds may adopt a structure that is more stable than graphene-oxide and nitrated polycyclic aromatic hydrocarbons. Our findings show that <i>sp</i><sup>2</sup> carbon in the polycyclic aromatic precursor can be converted to <i>sp</i><sup>3</sup> carbon under unexpectedly moderate temperature conditions by using nanoscale precursors and thus offer a low-temperature approach for the synthesis of sub-4 nm nanodiamonds.
Effects of Extra Virgin Olive Oil (EVOO) Oleocanthal and Oleacein Content on Platelet Reactivity in Healthy Adults (2016)

Data from limited dietary intervention trials suggest that the cardiovascular health benefit of EVOOs may increase as their phenolic antioxidants content increases. However, while EVOOs contain an array of bioactive compounds, little information exists regarding the physiological effects of specific chemical species. Among the EVOO‐derived phenolics with demonstrated anti‐inflammatory and antioxidant effects in animal and in vitro models is oleocanthal, an inhibitor of cyclooxygenase (COX). The current study compared the impact of acute intake (40 mL) of EVOO on platelet reactivity in healthy adult males (n=9). Three EVOOs were characterized and chosen for equivalency in their total phenolic content and fatty acid profiles, but differing in their oleocanthal to oleacein ratio. In a randomized double‐blind cross‐over study design, subjects consumed EVOOs that provided either a ~2:1 oleocanthal/oleacein (Oleo + ) or 2:1 oleacein compared to oleocanthal (Olea + ). A third EVOO served as a control, providing minimal amounts of oleocanthal and oleacein but had a similar total phenolic content in the form of free tyrosol (Oleo − Olea − ). A positive control for to platelet response was obtained after the intake of 400 mg of ibuprofen on a fourth study visit. Blood samples for optical platelet aggregometry were collected at baseline, and 2 hours post EVOO intake; with samples for oxylipin analysis collected from the activated platelet supernatants. Maximum platelet aggregation (Pmax) was significantly reduced 2 hours after Ibuprofen intake compared to all EVOOs when platelets were activated with either 1 μg/mL or 3 μg/mL of collagen. No significant differences between EVOOs for Pmax were observed with 3 μg/mL of collagen. However, scaling each individuals’ response to their range of responses on the 4 treatments, 1 μg/mL collagen‐induced Pmax was significantly reduced (repeated measures ANOVA, p&lt;0.05) for Oleo + , but not Olea + compared to Oleo − Olea − 2 hours after intake (7.33 ± 7.9, −12.4 ± 12, and −29.3 ± 11, mean ± SEM percent basal activity, respectively). These changes in Pmax were strongly correlated with the change in the sum of COX and 12‐lipoxygenase (LOX) (r 2 = 0.53), although considerable individual variability in both platelet response and COX and LOX product formation was noted. Taken together the data suggests that platelet response after EVOO intake is dependent on the presence of specific phenolics. Support or Funding Information This project was supported by funds from the Captain Vassilis Foundation, GAEA Products SA, and USDA Intramural project 2032‐51530‐022‐00D. The USDA is an equal opportunity provider and employeer.
A data streaming algorithm for estimating entropies of od flows (2007)

Entropy has recently gained considerable significance as an important metric for network measurement. Previous research has shown its utility in clustering traffic and detecting traffic anomalies. While measuring the entropy of the traffic observed at a single point has already been studied, an interesting open problem is to measure the entropy of the traffic between every origin-destination pair. In this paper, we propose the first solution to this challenging problem. Our sketch builds upon and extends the Lp sketch of Indyk with significant additional innovations. We present calculations showing that our data streaming algorithm is feasible for high link speeds using commodity CPU/memory at a reasonable cost. Our algorithm is shown to be very accurate in practice via simulations, using traffic traces collected at a tier-1 ISP backbone link.