gebhart/patrepeval huggingface dataset:
Scale Control Using Reactive Transport Modeling: Lessons Learned from Field Studies (2020)

Abstract The use of reactive transport modeling (RTM) is increasing in the oil and gas industry for assessing the geochemical impact (e.g. scaling and souring) of various activities, such as waterflooding for improved oil recovery (IOR) and CO2 storage. RTM is a technique that integrates fluid flow, transport of heat and solutes, and geochemical reactions. It can be used to model fluid compositional changes as well as rock mineralogical changes, caused by geochemical reactions, under flowing conditions. We use our in-house reservoir simulator (MoReS), coupled to geochemical software (PHREEQC), to carry out RTM. Simulations are based on the mixed solvent electrolyte (MSE) model from OLI Studio, a standard tool used by production chemists, enabling accurate computation of aqueous chemical reactions and partitioning of components between solid, fluid and gas phases. Over the last few years we have used RTM to make scale predictions for several waterflooding projects around the globe. In this paper we will show results from these field cases and highlight the most important findings. In brief, these are: Enabling mineral precipitation reactions in flow calculations improves the match between measured and simulated production water (PW) chemistry.Full 3D reservoir models capture different flow paths arriving/mixing near production wells, enabling an improved match between historical and simulated PW chemistry. Simplified (1D/2D) models are sufficient for predicting the magnitude of scale deposition and screening scale prediction uncertainties when little is known about reservoir connectivity (e.g. new developments).Inclusion of clay mineral cation exchange reactions significantly modifies the evolution of the injected water composition during migration through the reservoir. As a result, this impacts the reservoir deposition of scaling minerals (e.g. barite) and the scaling potential of production wells. Characterization of cation exchange properties of clay minerals in reservoirs is therefore recommended. The developed workflow, based on learnings from various projects, is now used to forecast scaling risks in new projects and supports ongoing projects in mitigating risks (e.g. selection/timing scale squeezes).
Comparison of thymocyte development and cytokine production in CD7-deficient, CD28-deficient and CD7/CD28 double-deficient mice (2001)

CD7 and CD28 are Ig superfamily molecules expressed on thymocytes and mature T cells that share common signaling 0mechanisms and are co-mitogens for T cell activation. CD7-deficient mice are resistant to lipopolysaccharide (LPS)-induced shock syndrome, and have diminished in vivo LPS-triggered IFN-gamma and tumor necrosis factor (TNF)-alpha production. CD28-deficient mice have decreased serum Ig levels, defective IgG isotype switching, decreased T cell IL-2 production and are resistant to Staphylococcus aureus enterotoxin-induced shock. To determine synergistic roles CD7 and CD28 might play in thymocyte development and function, we have generated and characterized CD7/CD28 double-deficient mice. CD7/CD28-deficient mice were healthy, reproduced normally, had normal numbers of thymocyte subsets and had normal thymus histology. Anti-CD3 mAb induced similar levels of apoptosis in CD7-deficient, CD28-deficient and CD7/CD28 double-deficient thymocytes as in control C57BL/6 mice (P = NS). Similarly, thymocyte viability, apoptosis and necrosis following ionomycin or dexamethasone treatment were the same in control, CD7-deficient, CD28-deficient and CD7/CD28-deficient mice. CD28-deficient and CD7/CD28-deficient thymocytes had decreased [3H]thymidine incorporation responses to concanavalin A (Con A) stimulation compared to control mice (P < or = 0.01 and P < or = 0.05 respectively). CD7/CD28 double-deficient mice had significantly reduced numbers of B7-1/B7-2 double-positive cells compared to freshly isolated wild-type, CD7-deficient and CD28-deficient thymocytes. Con A-stimulated CD4/CD8 double-negative (DN) thymocytes from CD7/CD28 double-deficient mice expressed significantly lower levels of CD25 when compared to CD4/CD8 DN thymocytes from wild-type, CD7-deficient and CD28-deficient mice (P < 0.05). Anti-CD3-triggered CD7/CD28-deficient thymocytes also had decreased IFN-gamma and TNF-alpha production compared to C57BL/6 control, CD7-deficient and CD28-deficient mice (P < or = 0.05). Thus, CD7 and CD28 deficiencies combined to produce abnormalities in the absolute number of B7-1/B7-2-expressing cells in the thymus, thymocyte IL-2 receptor expression and CD3-triggered cytokine production.
Scaling Spherical CNNs (2023)

Spherical CNNs generalize CNNs to functions on the sphere, by using spherical convolutions as the main linear operation. The most accurate and efficient way to compute spherical convolutions is in the spectral domain (via the convolution theorem), which is still costlier than the usual planar convolutions. For this reason, applications of spherical CNNs have so far been limited to small problems that can be approached with low model capacity. In this work, we show how spherical CNNs can be scaled for much larger problems. To achieve this, we make critical improvements including novel variants of common model components, an implementation of core operations to exploit hardware accelerator characteristics, and application-specific input representations that exploit the properties of our model. Experiments show our larger spherical CNNs reach state-of-the-art on several targets of the QM9 molecular benchmark, which was previously dominated by equivariant graph neural networks, and achieve competitive performance on multiple weather forecasting tasks. Our code is available at https://github.com/google-research/spherical-cnn.
Transient Local Bone Remodeling Effects of rhBMP-2 in an Ovine Interbody Spine Fusion Model (2016)

Using the U.S. Food and Drug Administration (FDA)-approved rhBMP-2 concentration and matching the volume of rhBMP-2/ACS with the volume of desired bone formation within the interbody construct may limit the occurrence of transient bone resorption.
Crimen Extrajudiciale: Ethics of Plagiarism and Erudite Sociability in J. Thomasius and J. C. Schwartz (2015)

This article deals with the ways of approaching plagiarism in the early modern Europe, mostly in the writings of two German intellectuals, J. Thomasius and J. C. Schwartz. The phenomenon of plagiarism is treated not only as an instrument of “symbolic violence” and “policing force of knowledge” in the Republic of letters, but primarily as a point of intersection of different discourses of the erudite culture: jurisprudence, moral medicine, Ciceronian rhetoric, hermeneutics and simultaneously – as a touchstone revealing the various dimensions of rival models of scientific knowledge (Protestant Aristotelianism, Barock eruditism, enlightened rationalism).
ENteric Immunity SImulator: A tool for in silico study of gut immunopathologies (166.15) (2011)

Abstract Here we present the newly developed ENteric Immunity SImulator (ENISI) that simulates the antagonistic inflammatory and regulatory immune pathways of the gut as individual immune cells interact with and respond to commensal and foreign bacteria. This tool has been used to reproduce a typical inflammatory response to foreign bacteria as well as the immunopathological effects of autoimmunity to commensal bacteria with 10^6 individual cells. ENISI is built on an agent-based model that incorporates spatial effects and randomness of cell-cell and cell-bacteria contact, which can have a significant impact on whether a triggered inflammatory cascade is successfully regulated or spirals out of control. Preliminary simulations indicate the importance of cell density and epithelial cell-mediated recruitment in determining gut immunopathology. In addition, such representation allows emergent properties such as changes in bacterial demographics and evolution as a result of interaction with host immune cells. This tool will be useful to i) test the plausibility of in vitro observed immune cell responses as explanations for tissue-level damage, ii) propose mechanisms not yet tested in vitro that could explain tissue-level phenomenon, iii) conduct low-cost, preliminary tests of proposed interventions/ treatments for inflammatory diseases, iv) identify specific data to be gathered experimentally in order to characterize mechanisms of immune modulation in the gut.
Successful mobilization of peripheral blood stem cells with theDHAP regimen (dexamethasone, cytarabine, cisplatinum) plusgranulocyte colony-stimulating factor in patients with relapsedHodgkin's disease (2005)

High-dose chemotherapy followed by autologous stem cell
transplantation can improve the outcome of relapsed and
refractory Hodgkins disease (HD) patients. The objective of the
trial was to determine the mobilizing potential of the DHAP
salvage regimen (dexamethasone, cytarabine, cisplatin) for the
collection of peripheral blood stem cells (PBSC) in patients
with relapsed HD. The target yield of harvesting CD34 + cells
was more or = 2 x 10(6)/kg in order to support the subsequent
myeloablative chemotherapy. Most of the 105 patients included
were intensively pre-treated with different combination
chemotherapy regimens prior to mobilization. The use of DHAP
followed by granulocyte colony-stimulating factor (G-CSF; 10
microg/kg) resulted in the successful collection of adequate
numbers of PBSC in 97.1% of patients (102 of 105) with a median
harvest of CD34+ cells of 13 x 10(6)/kg (range 2.6 - 85.1).
More than 2.0 x 10(6) CD34+ cells/kg were achieved in 65 of 103
(63%) patients after 1 apheresis, the maximum number of
aphereses for all patients was 3. It was found that the optimal
time of PBSC harvest was at days 13 - 16 after initiating the
mobilization regimen. These results demonstrate that the
salvage chemotherapy regimen, such as DHAP combined with G-CSF,
can be successfully used to mobilize PBSC in HD patients.
Effective modeling of microwave heating scenarios including susceptors (2008)

A new model of microwave susceptors for FDTD simulations of electromagnetic heating phenomena is developed. Susceptors are thin metal coatings inside microwaveable food packages used to enhance the heating effects. Their modelling is crucial for accurate design of microwave ovens and food packages. It is shown that susceptors of typical parameters cannot be directly meshed (due to small thicknesses) and cannot be treated with previous FDTD models of lossy metals (due to semi-transparency). The new model proposed herein consists of a surrogate plate of increased thickness and scaled material parameters, conserving the original susceptor surface resistivity. It is proven that the model is sufficiently accurate and computationally effective.
Bis[2,3‐Butanedione Dioximato(1‐)]Cobalt Complexes (1980)

This chapter contains sections titled: Bromobis[2,3-butanedione dioximato(1-)](dimethyl sulfide)coblat(III) Bromobis[2,3-butanedione dioximato(1-)](4-tert-butylpyridide)cobalt(III) Bis[2,3-butanedione dioximato(1-)](4-tertbutulpyridine)(2-ethoxyethyl)cobalt(III) Bis[2,3-butanedione dioximato(1-)](4-tertbutylpyridine)(ethoxymethyl)cobalt(III)
Platinum supported on titanium–ruthenium oxide is a remarkably stable electrocatayst for hydrogen fuel cell vehicles (2013)

We report a unique and highly stable electrocatalyst-platinum (Pt) supported on titanium-ruthenium oxide (TRO)-for hydrogen fuel cell vehicles. The Pt/TRO electrocatalyst was exposed to stringent accelerated test protocols designed to induce degradation and failure mechanisms identical to those seen during extended normal operation of a fuel cell automobile-namely, support corrosion during vehicle startup and shutdown, and platinum dissolution during vehicle acceleration and deceleration. These experiments were performed both ex situ (on supports and catalysts deposited onto a glassy carbon rotating disk electrode) and in situ (in a membrane electrode assembly). The Pt/TRO was compared against a state-of-the-art benchmark catalyst-Pt supported on high surface-area carbon (Pt/HSAC). In ex situ tests, Pt/TRO lost only 18% of its initial oxygen reduction reaction mass activity and 3% of its oxygen reduction reaction-specific activity, whereas the corresponding losses for Pt/HSAC were 52% and 22%. In in situ-accelerated degradation tests performed on membrane electrode assemblies, the loss in cell voltage at 1 A · cm(-2) at 100% RH was a negligible 15 mV for Pt/TRO, whereas the loss was too high to permit operation at 1 A · cm(-2) for Pt/HSAC. We clearly show that electrocatalyst support corrosion induced during fuel cell startup and shutdown is a far more potent failure mode than platinum dissolution during fuel cell operation. Hence, we posit that the need for a highly stable support (such as TRO) is paramount. Finally, we demonstrate that the corrosion of carbon present in the gas diffusion layer of the fuel cell is only of minor concern.
Synthesis and photochemical properties of α-diketoporphyrins as precursors for π-expanded porphyrins (2010)

A new α-diketoporphyrin and the corresponding Pd complex were prepared from the monoanthroporphyins and their photochemical properties were investigated by measurements of absorption and emission spectra, fluorescence lifetimes, laser flash photolysis, cyclic voltammetry, and theoretical calculations. Intramolecular electron transfer from the porphyrin singlet excited state to the diketone moiety was observed for the free base α-diketoporphyrin in benzonitrile, but this was not observed in toluene. Photoreactivity of the α-diketoporphyrins was also examined by irradiation at the Soret and Q bands. When the Soret band of the freebase α-diketoporphyrin was irradiated, cleavage of the diketone moiety occurred to afford the monoanthroporphyrin with the release of two CO molecules quantitatively in both benzonitrile and toluene. When the Q band of the freebase α-diketoporphyrin was irradiated, no photocleavage reaction occurred in toluene. In contrast to the freebase α-diketoporphyrin, the photocleavage reaction of the Pd complex occurred with irradiation at the Q band as well as the Soret band to afford the monoanthroporphyrin quantitatively in toluene. The photocleavage reaction proceeded much more effectively in toluene than in benzonitrile. The occurrence of rapid photoinduced electron transfer from the singlet excited state porphyrin to the diketone moiety, which was detected by femtosecond laser flash photolysis measurements, results in a significant decrease in the singlet excited state lifetime, prohibiting the photocleavage reaction in benzonitrile. Thus, the Pd α-diketoporphyrin can act as an excellent precursor for the corresponding acene in toluene. The photocleavage process provides a convenient and inexpensive method to make the thin film.
MO502: Use of Lithium, Valproate and the Risk of Acute or Chronic Kidney Disease: An Observational Study From Routine Care Data (2022)

Abstract BACKGROUND AND AIMS Lithium is an established treatment for bipolar disorder and treatment-resistant depression. Despite awareness of potential kidney damage, there is a lack of research evidence to inform on the existence and magnitude of the risk. Observational studies to date show conflicting findings, possibly explained by inadequate control populations, prevalent user bias and a lack of information on kidney function or serum lithium levels. METHOD We conducted a cohort study to compare kidney outcomes in adults who started lithium or valproate therapy in Stockholm, Sweden, during 2007–18. Within lithium users, we also compared outcomes by average serum lithium concentrations during the first year of therapy. Kidney outcomes were CKD progression (composite of &amp;gt;30% eGFR decline and kidney failure) and AKI (by diagnosis or KDIGO transient creatinine elevations). Propensity score weighted Cox regression was used to estimate hazard ratios with [95% confidence intervals (95% CI)] and balance 46 identified confounders. Complete collection of repeated dispensations at Swedish pharmacies allowed modelling of the time-dependent risk associated with cumulative lithium exposure. Sensitivity analyses included restricting to patients with a diagnosis of bipolar disorder, apply a 1-year lag, use of alternative weighting methods and evaluation of eGFR monitoring rates to ascertain surveillance bias between groups. RESULTS We included 16 645 individuals, of whom 5308 initiated lithium and 5638 valproate therapy. Their median age was 45 years (57% women) and median eGFR was 99 mL/min/1.73 m2. A total of 179 CKD progression events and 234 AKI were identified during a median of follow-up of 4.3 and 4.2 years, respectively. After propensity score weighting, the adjusted hazard ratio for the risk of CKD progression was 1.12 (95% CI 0.86–1.47) and for AKI 0.88 (95% CI 0.7–1.09). There was a weak, non-statistically significant association between cumulative exposure to lithium and the risk of CKD progression that was not observed for cumulative use of valproate. Results were consistent among patients with a bipolar disorder diagnosis and robust to 1-year lag or alternative weighing methods. A total of 3913 lithium users were on therapy for at least one year and underwent routine serum lithium monitoring. Compared with patients with average serum lithium levels &amp;lt;1.0 mEq/L, those with serum lithium ≥1.0 mEq/L (n = 270) were at a higher risk of both CKD progression (HR: 2.18; 1.28–3.71) and AKI (HR: 1.37; 0.81–2.34). CONCLUSION In this analysis of patients from routine clinical practice, the risk of kidney outcomes associated with lithium therapy did not differ from that of valproate. Modest risk magnitudes need to be offset with the effectiveness and anti-suicidal benefits of lithium. However, elevated serum lithium levels strongly predicting kidney risk, emphasizing the need for close monitoring and lithium dose-adjustment.
Near-band-gap CuPt-order-induced birefringence inAl0.48Ga0.52InP2 (1999)

The order-induced birefringence in the near-band-gap spectral range (0.75 to 2.5 eV), and its dependence on the degree of ordering \ensuremath{\eta} is reported for ${\mathrm{Al}}_{0.48}{\mathrm{Ga}}_{0.52}{\mathrm{InP}}_{2}.$ Transmission and reflection generalized variable angle spectroscopic ellipsometry, dark-field spectroscopy, and cross-polarized reflectance difference spectroscopy (CRDS) are used to determine precisely the room-temperature dielectric functions for polarization parallel and perpendicular to the ordering direction of a series of spontaneously CuPt-ordered samples grown by metal-organic vapor-phase epitaxy. The CRDS technique is introduced as an approach to sense extremely weak anisotropy at oblique angles of incidence. The observed order birefringence is treated as ``chemical-stress'' induced piezobirefringence. The dielectric function model for piezobirefringence in zinc-blende compounds, and selection rules for the transitions from the ${\ensuremath{\Gamma}}_{4,5v},{\ensuremath{\Gamma}}_{6(1)v},{\ensuremath{\Gamma}}_{6(2)v}$ valence band states to the ${\ensuremath{\Gamma}}_{6c}$ conduction band states, allow excellent modeling of the order birefringence in the near-band-gap spectral region. Thus, explicit treatment of the transition-matrix k dependence, as recently suggested for ordered ${\mathrm{GaInP}}_{2}$ or ${\mathrm{GaInAs}}_{2},$ can be avoided. The transition energies, strengths, and broadening parameters for the three zone-center transitions are obtained from analysis of the sample dielectric function tensor. All parameters in the quasicubic perturbation model can be fitted. We find, in excellent agreement with recent theoretical predictions, that the spin-orbit splitting parameter of 76 meV is nearly ordering independent, and that the ratio of the crystal-field splitting to the band-gap reduction for the perfectly ordered alloy amounts to 0.62. The band gap of the disordered compound is extrapolated to 2.195 eV.
The Mathematics of Market Timing (2017)

Market timing is an investment technique that tries to continuously switch investment into assets forecast to have better returns. What is the likelihood of having a successful market timing strategy? With an emphasis on modeling simplicity, I calculate the feasible set of market timing portfolios using index mutual fund data for perfectly timed (by hindsight) all or nothing quarterly switching between two asset classes, US stocks and bonds over the time period 1993--2017. The historical optimal timing path of switches is shown to be indistinguishable from a random sequence. The key result is that the probability distribution function of market timing returns is asymetric, that the highest probability outcome for market timing is a below median return. Put another way, simple math says market timing is more likely to lose than to win---even before accounting for costs. The median of the market timing return probability distribution can be directly calculated as a weighted average of the returns of the model assets with the weights given by the fraction of time each asset has a higher return than the other. For the time period of the data the median return was close to, but not identical with, the return of a static 60:40 stock:bond portfolio. These results are illustrated through Monte Carlo sampling of timing paths within the feasible set and by the observed return paths of several market timing mutual funds.
Parametric analysis of helical resonators for resonant wireless power transmission links (2012)

This paper presents a parametric study of wireless power transmission links composed of two identical helical resonators. The effect of the helix radius, the pitch and the number of turns are studied in order to find the optimal geometry that maximizes the transmission efficiency. The product of the coupling coefficient and the quality factor is used as a figure of merit to compare the different structures. A practical validation is presented and it shows that the simulations predict accurately the frequency response of the link. We demonstrate that the best performance is achieved when the radius is equivalent to approximately 75% of the transmission distance.
From Weak Learning to Strong Learning in Fictitious Play Type Algorithms (2015)

The paper studies the highly prototypical Fictitious Play (FP) algorithm, as well as a broad class of learning processes based on best-response dynamics, that we refer to as FP-type algorithms. A well-known shortcoming of FP is that, while players may learn an equilibrium strategy in some abstract sense, there are no guarantees that the period-by-period strategies generated by the algorithm actually converge to equilibrium themselves. This issue is fundamentally related to the discontinuous nature of the best response correspondence and is inherited by many FP-type algorithms. Not only does it cause problems in the interpretation of such algorithms as a mechanism for economic and social learning, but it also greatly diminishes the practical value of these algorithms for use in distributed control. We refer to forms of learning in which players learn equilibria in some abstract sense only (to be defined more precisely in the paper) as weak learning, and we refer to forms of learning where players' period-by-period strategies converge to equilibrium as strong learning. An approach is presented for modifying an FP-type algorithm that achieves weak learning in order to construct a variant that achieves strong learning. Theoretical convergence results are proved.