Sesame-Style Decomposition of KS-DFT Molecular Dynamics for Direct Interrogation of Nuclear Models

A common paradigm used in the construction of equations of state is to decompose the thermodynamics into a superposition of three terms: a static-lattice cold curve, a contribution from the thermal motion of the nuclei, and a contribution from the thermal excitation of the electrons. While statistical mechanical models for crystals provide tractable framework for the nuclear contribution in the solid phase, much less is understood about the nuclear contribution above the melt temperature ($C_v^{(\text{nuc})}\approx 3R$) and how it should transition to the high-temperature limit ($C_v^{(\text{nuc})} \sim \frac{3}{2}R$). In this work, we describe an algorithm for extracting both the thermal nuclear and thermal electronic contributions from quantum molecular dynamics (QMD). We then use the VASP QMD package to probe thermal nuclear behavior of liquid aluminum at normal density to compare the results to semi-empirical models -- the Johnson generic model, the Chisolm high-temperature liquid model, and the CRIS model.Comment: 6 pages, 4 figures, APS Shock Compression of Condensed Matter Conference Proceedings 201

{\em Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas in the thermodynamic limit

We perform \emph{ab initio} quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with linear response theory we are able to remove finite-size errors from the potential energy over the entire warm dense regime, overcoming the deficiencies of the existing finite-size corrections by Brown \emph{et al.}~[PRL \textbf{110}, 146405 (2013)]. Extensive new QMC results for up to $N=1000$ electrons enable us to compute the potential energy $V$ and the exchange-correlation free energy $F_{xc}$ of the macroscopic electron gas with an unprecedented accuracy of $|\Delta V|/|V|, |\Delta F_{xc}|/|F|_{xc} \sim 10^{-3}$. A comparison of our new data to the recent parametrization of $F_{xc}$ by Karasiev {\em et al.} [PRL {\bf 112}, 076403 (2014)] reveals significant deviations to the latter

Informing and Enhancing Scientific and Management Understanding of Oregon’s Nearshore Groundfish Trawl Fishery by Engaging Local Ecological Knowledge

Oregon’s Coastal nearshore ecosystems are a nexus between living marine resources and coincident human recreational, industrial and socio-economic development. These nearshore regions also provide habitats vital to early life history stages of commercial non-whiting groundfish species, which supplied 21% of the Oregon fishing economy in 2018. The very shallow portions of the Oregon Coast (the area of the shelf inshore of ~30fm (180 ft or 55m) have been the subject of little to no scientific survey monitoring, and much of the details of the ecology, health and processes in these habitats remain poorly understood. Furthermore, while the activity of the offshore Pacific Whiting (Merluccius productus) fleet and deeper water demersal fisheries have remained more consistent from 1976-present, the nearshore sector (which for the purposes of this thesis is defined as the region of shelf extending seaward to a water depth of 110 fathoms (200 meters or 660 feet)), has become increasingly underutilized by the Oregon commercial groundfish trawl fleet. This thesis assesses the potential for a more comprehensive reconstruction and understanding of broad-timescale trawl effort in the Oregon nearshore to be extracted from the combined knowledge of the commercial fishing community, fisheries managers, and fisheries scientists. By better defining what has impacted Oregon’s small nearshore fleet members, this thesis explores whether the collective experiences of fishermen in the nearshore sector through time may contribute local ecological knowledge (LEK) to lesser-studied groundfish fishery habitats in Oregon. Fisheries-dependent data were collected in the form of commercial trawl logbooks, fishticket landings, and industry interviews and assessed using mixed quantitative and qualitative methods. Results expose the nearshore sector of Oregon’s groundfish trawl fishery as a niche fishery recovering from a 20-year period of management reform and fisheries rebuilding. Less tangibly, it recognizes the self-contained identity of a small, specialized subset of the broader Oregon groundfish trawl fleet, whose endemic knowledge and experiences of the nearshore shelf prove valuable to reconstructing the history and social-constructs of the unique nearshore ecosystem. The experiential knowledge and consistency in exposure of the nearshore groundfish trawl fleet offer a detailed and long-standing record of the drivers and health of the groundfish fishery both spatially and temporally. Findings from this research provide an opportunity to utilize LEK to augment scientific ecological knowledge (SEK). Adopting the LEK and contacts established within the Oregon nearshore groundfish fleet from this thesis establishes a baseline for ongoing conversations, cooperation and prospective collaboration among scientists, fisheries managers and fishermen moving forward

Aridification of Central Asia and uplift of the Altai and Hangay mountains, Mongolia: stable isotope evidence

Central Asia has become increasingly arid during the Cenozoic, though the mechanisms behind this aridification remain unresolved. Much attention has focused on the influence and uplift history of the Tibetan Plateau. However, the role of ranges linked to India-Asia convergence but well north of the Plateau—including the Altai, Sayan, and Hangay—in creating the arid climate of Central Asia is poorly understood. Today, these ranges create a prominent rain shadow, effectively separating the boreal forest to the north from the deserts of Central Asia. To explore the role of these mountains in modifying climate since the late Eocene, we measured carbon and oxygen stable isotopes in paleosol carbonates from three basins along a 650 km long transect at the northern edge of the Gobi Desert in Mongolia and in the lee of the Altai and Hangay mountains. We combine these data with modern air-parcel back-trajectory modeling to understand regional moisture transport pathways at each basin. In all basins, δ¹³C increases, with the largest increase in western Mongolia. The first δ¹³C increase occurs in central and southwestern Mongolia in the Oligocene. δ¹³C again increases from the upper Miocene to the Quaternary in western and southwestern Mongolia. We use a 1-D soil diffusion model to demonstrate that these δ¹³C increases are linked to declines in soil respiration driven by dramatic increases in aridity. Using modern-day empirical relations between mean annual precipitation and soil respiration, we estimate that precipitation has likely more than halved over the Neogene. Given the importance of the Hangay and Altai in steering moisture in Mongolia, we attribute these changes to differential surface uplift of the Hangay and Altai. Surface uplift in the Hangay began by the early Oligocene, blocking Siberian moisture and aridifying the northern Gobi. In contrast, surface uplift of the Altai began in the late Miocene, blocking moisture from reaching western Mongolia. Thus, the northern Gobi became increasingly arid east to west since the late Eocene, likely driven by orographic development in the Hangay during the Oligocene and the Altai in the late Miocene through Pliocene

Effects of the sodium-glucose co-transporter-2 inhibitor dapagliflozin on estimated plasma volume in patients with type 2 diabetes

Aims To compare the effects of the sodium-glucose co-transporter-2 (SGLT2) inhibitor dapagliflozin on estimated (ePV) and measured plasma volume (mPV) and to characterize the effects of dapagliflozin on ePV in a broad population of patients with type 2 diabetes. Materials and methods The Strauss formula was used to calculate changes in ePV. Change in plasma volume measured with I-125-human serum albumin (mPV) was compared with change in ePV in 10 patients with type 2 diabetes randomized to dapagliflozin 10 mg/d or placebo. Subsequently, changes in ePV were measured in a pooled database of 13 phase 2b/3 placebo-controlled clinical trials involving 4533 patients with type 2 diabetes who were randomized to dapagliflozin 10 mg daily or matched placebo. Results The median change in ePV was similar to the median change in mPV (-9.4% and -9.0%) during dapagliflozin treatment. In the pooled analysis of clinical trials, dapagliflozin decreased ePV by 9.6% (95% confidence interval 9.0 to 10.2) compared to placebo after 24 weeks. This effect was consistent in various patient subgroups, including subgroups with or without diuretic use or established cardiovascular disease. Conclusions ePV may be used as a proxy to assess changes in plasma volume during dapagliflozin treatment. Dapagliflozin consistently decreased ePV compared to placebo in a broad population of patients with type 2 diabetes

Prediction of the effect of dapagliflozin on kidney and heart failure outcomes based on short-term changes in multiple risk markers

BACKGROUND: Besides improving glucose control, sodium-glucose co-transporter 2 inhibition with dapagliflozin reduces blood pressure, body weight and urinary albumin:creatinine ratio (UACR) in patients with type 2 diabetes (T2DM). The parameter response efficacy (PRE) score was developed to predict how short-term drug effects on cardiovascular risk markers translate into long-term changes in clinical outcomes. We applied the PRE score to clinical trials of dapagliflozin to model the effect of the drug on kidney and heart failure (HF) outcomes in patients with T2DM and impaired kidney function. METHODS: The relationships between multiple risk markers and long-term outcome were determined in a background population of patients with T2DM with a multivariable Cox model. These relationships were then applied to short-term changes in risk markers observed in a pooled database of dapagliflozin trials (n = 7) that recruited patients with albuminuria to predict the drug-induced changes to kidney and HF outcomes. RESULTS: A total of 132 and 350 patients had UACR >200 mg/g and >30 mg/g at baseline, respectively, and were selected for analysis. The PRE score predicted a risk change for kidney events of -40.8% [95% confidence interval (CI) -51.7 to -29.4) and -40.4% (95% CI -48.4 to -31.1) with dapagliflozin 10 mg compared with placebo for the UACR >200 mg/g and >30 mg/g subgroups. The predicted change in risk for HF events was -27.3% (95% CI -47.7 to -5.1) and -21.2% (95% CI -35.0 to -7.8), respectively. Simulation analyses showed that even with a smaller albuminuria-lowering effect of dapagliflozin (10% instead of the observed 35% in both groups), the estimated kidney risk reduction was still 26.5 and 26.8%, respectively. CONCLUSIONS: The PRE score predicted clinically meaningful reductions in kidney and HF events associated with dapagliflozin therapy in patients with diabetic kidney disease. These results support a large long-term outcome trial in this population to confirm the benefits of the drug on these endpoints

Stapling and Section of the Nasogastric Tube during Sleeve Gastrectomy: How to Prevent and Recover?

Bariatric surgery has become an integral part of morbid obesity treatment with well-defined indications. Some complications, specific or not, due to laparoscopic sleeve gastrectomy (LSG) procedure have recently been described. We report a rare complication unpublished to date: a nasogastric section during great gastric curve stapling. A 44-year-old woman suffered of severe obesity (BMI 36.6 kg/m2) with failure of medical treatments for years. According to already published technique, a LSG was performed. Six hours postoperatively, a nurse removed the nasogastric tube according to the local protocol and the nasogastric tube was abnormally short, with staples at its extremity. Surgery was performed with peroperative endoscopy. In conclusion, this is the first publication of a nasogastric section during LSG. Therefore we report this case and propose a solution to prevent its occurrence. To avoid this kind of accident, we now systematically insert the nasogastric tube by mouth through a Guedel cannula. Then, to insert the calibrating bougie, we entirely withdraw the nasogastric tube

Correction of anemia by dapagliflozin in patients with type 2 diabetes

Aims: Anemia is common in type 2 diabetes (T2D), particularly in patients with kidney impairment, and often goes unrecognized. Dapagliflozin treatment increases hemoglobin and serum erythropoietin levels. We investigated the effect of dapagliflozin 10-mg/day on hemoglobin in T2D patients with and without anemia. Methods: Data from 5325 patients from 14 placebo-controlled, dapagliflozin-treatment studies of at least 24-weeks duration were pooled. Dapagliflozin's effects (vs. placebo) on hemoglobin, serum albumin, estimated glomerular filtration rate (eGFR), systolic blood pressure, body weight, and safety in patients with and without anemia were evaluated. Results: At baseline, 13% of all T2D patients and 28% of those with chronic kidney disease (eGFR Conclusions: Treatment with dapagliflozin can correct and prevent anemia in T2D patients. A gradual increase in hemoglobin beyond week 4 may indicate an erythropoiesis-stimulating effect of sodium-glucose cotransporter 2 inhibition. (c) 2020 Published by Elsevier Inc

Performance of polyethyleneimine–silica adsorbent for post-combustion CO2 capture in a bubbling fluidized bed

The high performance of polyethyleneimine (PEI)-based solid adsorbent for CO2 capture has been well recognized in thermogravimetric analysis (TGA) and small-scale fixed bed reactors through the measurements of their equilibrium capacities but has not been really demonstrated on larger scales towards practical utilization. In the present study, a laboratory-scale bubbling fluidized bed reactor loaded with a few kg adsorbent is used to evaluate the adsorption performance of PEI–silica adsorbent under different working conditions including with/without the presence of moisture, different gas–solid contact times, initial bed temperatures, and CO2 partial pressures. The adsorption capacities have shown a clear degradation tendency under dry condition. However, they can be stabilized at a high level of 10.6–11.1% w/w over 60 cycles if moisture (ca. 8.8 vol%) is present in the gas flow during adsorption and desorption. Breakthrough capacities can be stabilized at the level of 7.6–8.2% w/w with the gas–solid contact time of 13 s. The adsorption capacities for the simulated flue gases containing 5% CO2 are only slightly lower than those for the simulated flue gases containing 15% CO2, indicating that the PEI–silica adsorbent is suitable for CO2 capture from flue gases of both coal-fired and natural gas-fired combined cycle power plants. The exothermal heat of adsorption is estimated by the energy balance in the fluidized bed reactor and found to be close (within 10%) to the measured value by TG-DSC. The regeneration heat for the as prepared PEI–silica adsorbent is found to be 2360 kJ/kgCO2 assuming 75% recovery of sensible heat which is well below the values of 3900–4500 kJ/kgCO2 for a typical MEA scrubbing process with 90% recovery of sensible heat