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DOE OSTI2023

Obesity is associated with biliary tract cancer mortality and incidence: A pooled analysis of 21 cohort studies in the Asia Cohort Consortium

Abstract Body fatness is considered a probable risk factor for biliary tract cancer (BTC), whereas cholelithiasis is an established factor. Nevertheless, although obesity is an established risk factor for cholelithiasis, previous studies of the association of body mass index (BMI) and BTC did not take the effect of cholelithiasis fully into account. To better understand the effect of BMI on BTC, we conducted a pooled analysis using population‐based cohort studies in Asians. In total, 905 530 subjects from 21 cohort studies participating in the Asia Cohort Consortium were included. BMI was categorized into four groups: underweight (<18.5 kg/m 2 ); normal (18.5‐22.9 kg/m 2 ); overweight (23‐24.9 kg/m 2 ); and obese (25+ kg/m 2 ). The association between BMI and BTC incidence and mortality was assessed using hazard ratios (HR) and 95% confidence intervals (CIs) by Cox regression models with shared frailty. Mediation analysis was used to decompose the association into a direct and an indirect (mediated) effect. Compared to normal BMI, high BMI was associated with BTC mortality (HR 1.19 [CI 1.02‐1.38] for males, HR 1.30 [1.14‐1.49] for females). Cholelithiasis had significant interaction with BMI on BTC risk. BMI was associated with BTC risk directly and through cholelithiasis in females, whereas the association was unclear in males. When cholelithiasis was present, BMI was not associated with BTC death in either males or females. BMI was associated with BTC death among females without cholelithiasis. This study suggests BMI is associated with BTC mortality in Asians. Cholelithiasis appears to contribute to the association; and moreover, obesity appears to increase BTC risk without cholelithiasis.

Oze, Isao↗

DOE OSTI2021

Electrochemistry of Thin Films with In Situ/Operando Grazing Incidence X-Ray Scattering: Bypassing Electrolyte Scattering for High Fidelity Time Resolved Studies

Electroactive polymer thin films undergo repeated reversible structural change during operation in electrochemical applications. While synchrotron X-ray scattering is powerful for the characterization of stand-alone and ex situ organic thin films, in situ/operando structural characterization has been underutilized-in large part due to complications arising from supporting electrolyte scattering. This has greatly hampered the development of application relevant structure property relationships. Therefore, a new methodology for in situ/operando X-ray characterization that separates the incident and scattered X-ray beam path from the electrolyte is developed. As a proof of concept, the operando structural characterization of weakly-scattering, organic mixed conducting thin films in an aqueous electrolyte environment is demonstrated, accessing previously unexplored changes in the $\pi-\pi$ peak and diffuse scatter, while capturing the solvent swollen thin film structure which is inaccessible in previous ex situ studies. These in situ/operando measurements improve the sensitivity to structural changes, capturing minute changes not possible ex situ, and have multimodal potential such as combined Raman measurements that also serve to validate the true in situ/operando conditions of the cell. Finally, new directions enabled by this in situ/operando cell design are examined and state of the art measurements are compared.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Socio-Structural and Neighborhood Predictors of Incident Criminal Justice Involvement in a Population-Based Cohort of Young Black MSM and Transgender Women

Black men who have sex with men (MSM) and transgender women are disproportionately affected by criminal justice involvement (CJI) and HIV. This study recruited 618 young Black MSM and transgender women in Chicago, IL, using respondent-driven sampling between 2013 and 2014. Random effects logistic regression evaluated predictors of incident CJI over 18 months of follow-up. We report, controlling for respondent age, gender and sexual identity, spirituality (aOR 0.56, 95% CI 0.33-0.96), and presence of a mother figure (aOR 0.41, 95% CI 0.19-0.89) were protective against CJI. Economic hardship (financial or residential instability vs. neither aOR 2.23, 95% CI 1.10-4.51), two or more past episodes of CJI vs. none (aOR 2.66, 95% CI 1.40-5.66), and substance use (marijuana use vs. none aOR 2.79, 95% CI 1.23-6.34; other drug use vs. none aOR 4.49, 95% CI 1.66-12.16) were associated with CJI during follow-up. Research to identify and leverage resilience factors that can buffer the effects of socioeconomic marginalization may increase the effectiveness of interventions to address the socio-structural factors that increase the risk for CJI among Black MSM and transgender women. Given the intersection of incarceration, HIV and other STIs, and socio-structural stressors, criminal justice settings are important venues for interventions to reduce health inequities in these populations.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Film formation mechanisms in mixed-dimensional 2D/3D halide perovskite films revealed by in situ grazing-incidence wide-angle X-ray scattering

We report mixed dimensionality 2D/3D hybrid halide perovskites retain the stability of 2D perovskites (formula (A')2(A)n-1PbnI3n+1) and long diffusion lengths of the 3D materials (formula AMX3), thereby affording solar cells with extended stability as well as state of the art efficiencies approaching that of the 3D materials. These films are made by spin coating precursor solutions with arbitrarily large average layer thickness n ($\langle$n$\rangle$ > 7) to give films with both 2D and 3D phases present. While the 2D and 3D perovskite film formation mechanisms have been studied previously, little is understood about composite 2D/3D film formation. We used in situ grazing-incidence wide-angle scattering (GIWAXS) with synchrotron radiation to fully characterize films fabricated from precursor solutions with stoichiometries of (BA) 2 (MA) n-1 Pb n I 3n+1 ($\langle$n$\rangle$ = 3, 4, 5, 7, “12,” “50,” and ∞ (MAPbI 3 )). Four different mechanisms are seen depending on the stoichiometry in the precursor solution. When $\langle$n$\rangle$ = 3, oriented perovskite grows directly. For $\langle$n$\rangle$ = 4-5, the needle-shaped solvate (MA) 2 Pb 3 I 8 ·2DMF forms concomitantly with the oriented perovskite which leads to 2D/3D composite films. For $\langle$n$\rangle$ ≥ 7, this solvate dominates and unoriented perovskite grows in secondarily. For 3D perovskite, the solvate is the only phase formed. Kinetic analysis shows faster and earlier growth of the solvate with increasing $\langle$n$\rangle$. Using this knowledge, we show that the undesirable solvate mechanism can be reduced by addition of excess ammonium iodide in the precursor solution to give highly oriented films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Incidence of chronic respiratory conditions among oil spill responders: Five years of follow-up in the Deepwater Horizon Oil Spill Coast Guard Cohort study

Background: Over ten years after the Deepwater Horizon (DWH) oil spill, our understanding of long term respiratory health risks associated with oil spill response exposures is limited. Here we conducted a prospective analysis in a cohort of U.S. Coast Guard personnel with universal military healthcare. Methods: For all active duty cohort members (N = 45,193) in the DWH Oil Spill Coast Guard Cohort Study we obtained medical encounter data from October 01, 2007 to September 30, 2015 (i.e., ~2.5 years pre-spill; ~5.5 years post-spill). We used Cox Proportional Hazards regressions to calculate adjusted hazard ratios (aHR), comparing risks for incident respiratory conditions/symptoms (2010–2015) for: responders vs. non-responders; responders reporting crude oil exposure, any inhalation of crude oil vapors, and being in the vicinity of burning crude oil versus responders without those exposures. We also evaluated self-reported crude oil and oil dispersant exposures, combined. Within-responder comparisons were adjusted for age, sex, and smoking. Results: While elevated aHRs for responder/non-responder comparisons were generally weak, within-responder comparisons showed stronger risks with exposure to crude oil. Notably, for responders reporting exposure to crude oil via inhalation, there were elevated risks for all sinusitis (aHR = 1.48; 95%CI, 1.06–2.06), unspecified chronic sinusitis (aHR = 1.55; 95%CI, 1.08–2.22), chronic obstructive pulmonary disease (COPD) and other allied conditions (aHR = 1.43; 95%CI, 1.00–2.06), and dyspnea and respiratory abnormalities (aHR = 1.29; 95%CI, 1.00–1.67); there was a suggestion of elevated risk for diseases classified as asthma and reactive airway diseases (aHR = 1.18; 95%CI, 0.98–1.41), including the specific condition, asthma (aHR = 1.35; 95%CI, 0.80–2.27), the symptom, shortness of breath (aHR = 1.50; 95%CI, 0.89–2.54), and the overall classification of chronic respiratory conditions (aHR = 1.18; 95%CI, 0.98–1.43). Exposure to both crude oil and dispersant was positively associated with elevated risk for shortness of breath (HR = 2.24; 95%CI, 1.09–4.64). Conclusions: Among active duty Coast Guard personnel, oil spill clean-up exposures were associated with moderately increased risk for longer term respiratory conditions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Structure Development of the Interphase between Drying Cellulose Materials Revealed by In Situ Grazing-Incidence Small-Angle X-ray Scattering

The nano- to microscale structures at the interface between materials can define the macroscopic material properties. These structures are extremely difficult to investigate for complex material systems, such as cellulose-rich materials. The development of new model cellulose materials and measuring techniques has opened new possibilities to resolve this problem. We present a straightforward approach combining micro-focusing grazing-incidence small-angle X-ray scattering and atomic force microscopy (AFM) to investigate the structural rearrangements of cellulose/cellulose interfaces in situ during drying. Based on the results, we propose that molecular interdiffusion and structural rearrangement play a major role in the development of the properties of the cellulose/cellulose interphase; this model is representative of the development of the properties of joint/contact points between macroscopic cellulose fibers.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Grazing Incidence Wide-Angle X-ray Scattering of Water Adsorption in Polyamide Barrier Layers of Reverse Osmosis Membranes

To understand the relationship between the intermolecular structure of aromatic polyamide (PA) scaffold and the water molecules in the barrier layers of reverse osmosis (RO) membranes, a grazing incidence wide-angle X-ray scattering (GIWAXS) study was carried out on freestanding PA thin films at varying relative humidity (RH) conditions. The scattering results were analyzed by an interference scattering model, containing a phase factor between a PA chain and an adsorbed water molecule. This model yielded good fits to the GIWAXS profiles where the water adsorption was found to vary linearly with RH. Atomistic molecular dynamics (MD) simulations were also performed to complement the experimental study. Furthermore, the simulations revealed that a rapid condensation layer initially formed on the PA film surface, followed by the slow water molecule diffusion inside the PA membrane. Sparse adsorbed water, isolated in subnanopores of the PA film adjacent to the polar atoms, even in very low quantities, modifies the X-ray scattering. Atomistic simulations at the microscopic scale provide partial support for several X-ray scattering findings.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Grazing-incidence diffraction reveals cellulose and pectin organization in hydrated plant primary cell wall

Abstract The primary cell wall is highly hydrated in its native state, yet many structural studies have been conducted on dried samples. Here, we use grazing-incidence wide-angle X-ray scattering (GIWAXS) with a humidity chamber, which enhances scattering and the signal-to-noise ratio while keeping outer onion epidermal peels hydrated, to examine cell wall properties. GIWAXS of hydrated and dried onion reveals that the cellulose ( $$110/1\overline{1}0$$ 110 / 1 1 ¯ 0 ) lattice spacing decreases slightly upon drying, while the (200) lattice parameters are unchanged. Additionally, the ( $$110/1\overline{1}0$$ 110 / 1 1 ¯ 0 ) diffraction intensity increases relative to (200). Density functional theory models of hydrated and dry cellulose microfibrils corroborate changes in crystalline properties upon drying. GIWAXS also reveals a peak that we attribute to pectin chain aggregation. We speculate that dehydration perturbs the hydrogen bonding network within cellulose crystals and collapses the pectin network without affecting the lateral distribution of pectin chain aggregates.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Crystallization of nanopore-confined imidazolium ionic liquids probed by temperature-resolved in situ grazing-incidence wide angle X-ray scattering (GIWAXS)

The crystallization behavior of ionic liquids (ILs) 1-butyl-3-methylimidazolium [BMIM] hexafluorophosphate [PF 6 ] and chloride [Cl] is investigated upon confinement in 2.3 or 8.2 nm diameter silica nanopore arrays, along with the effects of covalently modifying the pore walls with 1-(3-trimethoxysilylpropyl)3-methylimidazolium [TMS-MIM] + groups. In situ grazing-incidence wide angle x-ray scattering (GIWAXS) is performed during heating from as low as -110 °C to room temperature. Partially ordered “nanodomains” are observed in both ILs in the bulk molten state, but they are disrupted by nanoconfinement. Melting point depression consistent with capillary effects is observed for [BMIM][PF 6 ] in 2.3 nm pores. However, the melting point is elevated for [BMIM][PF 6 ] in 8.2 nm pores, which provide sufficient space to stabilize the crystalline phase. For [BMIM][Cl], crystallization is observed only in 8.2 nm bare silica pores, but the melting point is severely depressed. Tethering with IL-like [TMS-MIM + ] also promotes the crystallization of [BMIM][PF 6 ], resulting in elevated melting points. The combined effects of a larger pore size and pore surface tethering on [BMIM][PF 6 ] result in a single stable crystal phase that persists from -140 °C to 25 °C (vs. the bulk melting point of -11 °C). These results show that when ILs are used in confined systems, complex crystallization behavior can emerge depending on the counterion, pore size, and surface modification that require consideration of ion layering in the confined space in addition to surface free energy effects.

He, Yuxin [University of Kentucky, Lexington, KY (↗

DOE OSTI2022

Measurement of laser absorption in underdense plasmas using near-field imaging of the incident and transmitted beams

Measurements of laser absorption in high-temperature, underdense plasmas produced at the Omega Laser Facility are made using two near-field imaging detectors that diagnose the spatial profile and energy of the port P9 beam before and after it transmits through the plasma. The incident beam is sampled using a partial reflection from a full-aperture, (30 cm-diam) uncoated wedge pickoff located before the target chamber vacuum window and final focus lens assembly. A concave mirror reduces the reflected beam size, allowing it to be recorded directly using a charged-coupled device (CCD) camera. The P9 transmitted beam diagnostic (P9TBD) characterizes the transmitted light by terminating the expanded beam on a semi-transparent diffuser and imaging the illuminated surface using a lens and CCD camera. The P9TBD samples a numerical aperture twice as large as the input beam, allowing the energy of transmitted beams with moderate levels of beam spray to be measured accurately. Calibration shots with no plasma provide a path to infer absorption without absolute photometric calibration of either detector. Lastly, the cross-calibration between the two detectors was measured to remain stable at ±200 ppm, enabling measurements of total beam absorption below 1% with ±0.07% error.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

The incidence of X-ray selected AGN in nearby galaxies

ABSTRACT We present the identification and analysis of an unbiased sample of active galactic nuclei (AGN) that lie within the local galaxy population. Using the MPA-JHU catalogue (based on SDSS DR8) and 3XMM DR7 we define a parent sample of 25 949 local galaxies (z ≤ 0.33). After confirming that there was strictly no AGN light contaminating stellar mass and star-formation rate calculations, we identified 917 galaxies with central, excess X-ray emission likely originating from an AGN. We analysed their optical emission lines using the BPT diagnostic and confirmed that such techniques are more effective at reliably identifying sources as AGN in higher mass galaxies: rising from 30 per cent agreement in the lowest mass bin to 93 per cent in the highest. We then calculated the growth rates of the black holes powering these AGN in terms of their specific accretion rates (∝LX/M*). Our sample exhibits a wide range of accretion rates, with the majority accreting at rates $\le 0.5\ \mathrm{ per \, cent}$ of their Eddington luminosity. Finally, we used our sample to calculate the incidence of AGN as a function of stellar mass and redshift. After correcting for the varying sensitivity of 3XMM, we split the galaxy sample by stellar mass and redshift and investigated the AGN fraction as a function of X-ray luminosity and specific black hole accretion rate. From this we found the fraction of galaxies hosting AGN above a fixed specific accretion rate limit of 10−3.5 is constant (at $\approx 1\ \mathrm{ per \, cent}$) over stellar masses of 8 < log M*/M⊙ < 12 and increases (from $\approx 1\ \mathrm{ per \, cent}$ to 10 per cent) with redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Incidence, scaling relations and physical conditions of ionized gas outflows in MaNGA

ABSTRACT In this work, we investigate the strength and impact of ionized gas outflows within z ∼ 0.04 MaNGA galaxies. We find evidence for outflows in 322 galaxies ($12{{\ \rm per\ cent}}$ of the analysed line-emitting sample), 185 of which show evidence for hosting an active galactic nucleus (AGN). Most outflows are centrally concentrated with a spatial extent that scales sublinearly with Re. The incidence of outflows is enhanced at higher masses, central surface densities, and deeper gravitational potentials, as well as at higher star formation rate (SFR) and AGN luminosity. We quantify strong correlations between mass outflow rates and the mechanical drivers of the outflow of the form $\dot{M}_{\rm out} \propto \rm SFR^{0.97}$ and $\dot{M}_{\rm out} \propto L_{\rm AGN}^{0.55}$. We derive a master scaling relation describing the mass outflow rate of ionized gas as a function of M⋆, SFR, Re, and LAGN. Most of the observed winds are anticipated to act as galactic fountains, with the fraction of galaxies with escaping winds increasing with decreasing potential well depth. We further investigate the physical properties of the outflowing gas finding evidence for enhanced attenuation in the outflow, possibly due to metal-enriched winds, and higher excitation compared to the gas in the galactic disc. Given that the majority of previous studies have focused on more extreme systems with higher SFRs and/or more luminous AGN, our study provides a unique view of the non-gravitational gaseous motions within ‘typical’ galaxies in the low-redshift Universe, where low-luminosity AGN and star formation contribute jointly to the observed outflow phenomenology.

Avery, Charlotte R.↗

DOE OSTI2023

The relationship between the incidence of X-ray selected AGN in nearby galaxies & star-formation rate

ABSTRACT We present the identification and analysis of an X-ray selected AGN sample that lie within the local (z < 0.35) galaxy population. From a parent sample of 22 079 MPA-JHU (based on SDSS DR8) galaxies, we identified 917 galaxies with central, excess X-ray emission (from 3XMM-DR7) likely originating from an AGN. We measured the host galaxies’ star formation rates and classified them as either star-forming or quiescent based on their position relative to main sequence of star formation. Only 72 per cent of the X-ray selected sample were identified as AGN using BPT selection; this technique is much less effective in quiescent hosts, only identifying 50 per cent of the X-ray AGN. We also calculated the growth rates of the black holes powering these AGN in terms of their specific accretion rate (∝ LX/M*) and found quiescent galaxies, on average, accrete at a lower rate than star-forming galaxies. Finally, we measured the sensitivity function of 3XMM so we could correct for observational bias and construct probability distributions as a function of accretion rate. AGN were found in galaxies across the full range of star formation rates ($\log _{10} \, \mathrm{SFR/M_\odot \ yr^{-1}} = -3\ \mathrm{to}\ 2$) in both star-forming and quiescent galaxies. The incidence of AGN was enhanced by a factor 2 (at a 3.5σ significance) in star-forming galaxies compared to quiescent galaxies of equivalent stellar mass and redshift, but we also found a significant population of AGN hosted by quiescent galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Exploring the dependence of gas cooling and heating functions on the incident radiation field with machine learning

ABSTRACT Gas cooling and heating functions play a crucial role in galaxy formation. But, it is computationally expensive to exactly compute these functions in the presence of an incident radiation field. These computations can be greatly sped up by using interpolation tables of pre-computed values, at the expense of making significant and sometimes even unjustified approximations. Here, we explore the capacity of machine learning to approximate cooling and heating functions with a generalized radiation field. Specifically, we use the machine learning algorithm XGBoost to predict cooling and heating functions calculated with the photoionization code cloudy at fixed metallicity, using different combinations of photoionization rates as features. We perform a constrained quadratic fit in metallicity to enable a fair comparison with traditional interpolation methods at arbitrary metallicity. We consider the relative importance of various photoionization rates through both a principal component analysis (PCA) and calculation of SHapley Additive exPlanation (shap) values for our XGBoost models. We use feature importance information to select different subsets of rates to use in model training. Our XGBoost models outperform a traditional interpolation approach at each fixed metallicity, regardless of feature selection. At arbitrary metallicity, we are able to reduce the frequency of the largest cooling and heating function errors compared to an interpolation table. We find that the primary bottleneck to increasing accuracy lies in accurately capturing the metallicity dependence. This study demonstrates the potential of machine learning methods such as XGBoost to capture the non-linear behaviour of cooling and heating functions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Alternate Analysis of an In Vitro Solubility Study on the Lung Dissolution Rate of 238PuO2 Material Involved in the 2020 Incident at Los Alamos National Laboratory

Here this work presents an alternate analysis of an in vitro solubility study on the lung dissolution rate of 238 PuO 2 material involved in a recent inhalation incident at Los Alamos National Laboratory (LANL). The original dataset used in this work was retrieved from a recently published report. The present work shows an analysis of the same dataset by modeling the dissolution in separate time intervals rather than modeling the cumulative dissolution.

238Pu↗

DOE OSTI2021

First measurement of the asymmetry and the Gerasimov-Drell-Hearn integrand from the 3 $\vec{H}$e ($\vec{γ},p$) 2 H reaction at an incident photon energy of 29 MeV

The first measurement of the 3 $\vec{H}$e ($\vec{γ},p$) 2 H process was performed at the High Intensity γ-ray Source ( HIγS ) facility at Triangle Universities Nuclear Laboratory using a circularly polarized, monoenergetic γ -ray beam and a longitudinally polarized 3 He target. The spin-dependent asymmetry and the contribution from the two-body photodisintegration to the 3 He Gerasimov-Drell-Hearn integrand are extracted and compared with state-of-the-art three-nucleon system calculations at the incident photon energy of 29 MeV. The data are in general agreement with the various theoretical predictions based on the Siegert theorem or on explicit inclusion of meson-exchange currents.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Hybrid height and slope figuring method for grazing-incidence reflective optics

Grazing-incidence reflective optics are commonly used in synchrotron radiation and free-electron laser facilities to transport and focus the emitted X-ray beams. To preserve the imaging capability at the diffraction limit, the fabrication of these optics requires precise control of both the residual height and slope errors. However, all the surface figuring methods are height based, lacking the explicit control of surface slopes. Although our preliminary work demonstrated a one-dimensional (1D) slope-based figuring model, its 2D extension is not straightforward. In this study, a novel 2D slope-based figuring method is proposed, which employs an alternating objective optimization on the slopes in the x - and y -directions directly. An analytical simulation revealed that the slope-based method achieved smaller residual slope errors than the height-based method, while the height-based method achieved smaller residual height errors than the slope-based method. Therefore, a hybrid height and slope figuring method was proposed to further enable explicit control of both the height and slopes according to the final mirror specifications. An experiment to finish an elliptical-cylindrical mirror using the hybrid method with ion beam figuring was then performed. Both the residual height and slope errors converged below the specified threshold values, which verified the feasibility and effectiveness of the proposed ideas.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Structured illumination for surface-resolved grazing-incidence X-ray scattering

Grazing-incidence (GI) scattering techniques are widely used to characterize thin films, offering high surface sensitivity and insight into morphology and structure. However, these approaches typically provide statistical averaged information due to elongated footprint or limited spatial resolution due to beam size. Here we introduce a method that combines structured illumination with GI X-ray scattering and leverages our computational imaging approach to resolve local structural details. We demonstrate that our method captures local features of an organic semiconductor thin film without the need for sample rotation as in tomography. The method expands GI techniques from statistical averaging to high-resolution imaging, thereby providing the capability for detailed analysis of local material properties, such as domain shape, orientation and polymorphism, which are critical for advancing material design towards more efficient and tailored materials.

97 MATHEMATICS AND COMPUTING↗