bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mitigation and Optimization of Induced Seismicity Using Physics‐Based Forecasting
Authors: Hill Ryley G. , Weingarten Matthew , Langenbruch Cornelius , Fialko Yuri 
Published: October 2024

AbstractFluid injection can induce seismicity by altering stresses on pre‐existing faults. Here, we investigate minimizing induced earthquake potential by optimizing injection operations in a physics‐based forecasting framework. We built a 3D finite element model of the poroelastic crust for the Raton Basin, Central US, and used it to estimate time dependent Coulomb stress changes due to 25 years of wastewater injection in the region. Our finite element model is complemented by a statistical analysis of the seismogenic index (SI), a proxy for critically stressed faults affected by variations in the pore pressure. Forecasts of seismicity rate from our hybrid physics‐based statistical model suggest that induced seismicity in the Raton Basin, from 2001 to 2022, is still driven by wastewater injection despite declining injection rates since 2011. Our model suggests that pore pressure diffusion is the dominant cause of Coulomb stress changes at seismogenic depth, with poroelastic stress changes contributing about 5% to the driving force. Linear programming optimization for the Raton Basin reveals that it is feasible to reduce earthquake potential for a given amount of injected fluid (safety objective) or maximize fluid injection for a prescribed earthquake potential (economic objective). The optimization tends to spread out high‐rate injectors and shift them to regions of lower SI. The framework has practical importance as a tool to manage injection rate per unit field area to reduce induced earthquake potential. Our optimization framework is both flexible and adaptable to mitigate induced earthquake potential in other regions and for other types of subsurface fluid injection.
Numerical Simulation on the Electrical Conductivity of Ternary Mixtures Containing NaCl Solution, Quartz, and Smectite
Authors: Aoyama K. , Hashimoto T. 
Published: October 2024

AbstractWhile the electrical conductivity of smectite‐rich rocks is high, previous studies have only partially revealed its dependence on temperature, salinity, and porosity. This knowledge gap mainly arises from challenges in controlling various experimental conditions when measuring the conductivity of real smectite‐bearing rock samples and quantifying the smectite content. To mimic conductivity measurements under ideal conditions, this study aimed to develop a simulator capable of accurately configuring the conditions to predict the direct‐current conductivity of saturated rocks composed of an aqueous NaCl solution, quartz, and smectite under various temperatures (20°C–200°C), salinities (10−4–5 mol kg−1), porosities (0–1), and smectite fractions (0–1). The simulator reproduced the experimental conductivity measurements from drilled core samples by giving the anisotropy of those components' distribution. In addition, simulations with randomly assigned components revealed that when rocks contain abundant smectite, the bulk conductivity partially decreases with increasing NaCl solution's salinity or volume fraction. These negative slopes were approximated using empirical equations derived from previous studies. Percolation analysis further revealed that when the components are randomly assigned, conductive paths begin to form between the ends of the modeled sample once the sum of the volume fraction of bulk pore and smectite reaches 0.1.
Structure and Non‐Ideal Mixing of Fe‐Ni‐S Liquid at High Temperature and Pressure and Its Implication for the Earth's Outer Core Composition
Authors: Satyal Sajin , Wang Jianwei 
Published: October 2024

AbstractThe effect of light elements (LEs) such as sulfur on the physical properties of liquid iron‐nickel alloy under the earth's outer core conditions is critical for understanding the core composition and dynamics. First‐principles molecular dynamics simulations were employed to model Fe‐Ni‐S liquid with S concentrations in the range of (0–25) atomic percent (at%) at 4050 K and (0–33.33) at% at 5530 K and pressures relevant to the core‐mantle boundary (CMB) and inner core boundary (ICB), respectively. The thermodynamic mixing properties of Fe‐Ni‐S liquid were calculated, showing that the excess volume for Fe‐Ni‐S alloys deviates negatively from ideal mixing by −0.33% at 12.5 at% S at the CMB and −0.35% at 17 at% S at the ICB. Similarly, the excess enthalpy negatively deviated from the ideal mixing by −3.4 kJ/mole and −13 kJ/mole at the similar S concentrations at CMB and ICB, respectively, indicating non‐ideal mixing throughout the outer core. Similar behaviors are observed for isothermal bulk modulus (KT) and seismic velocity. The short‐ and intermediate‐range structures were analyzed and used to explain the non‐ideal mixing behaviors. The results suggest that extrapolations using ideal mixing underestimates the sound velocity by ∼0.14 km/s near CMB and ∼0.10 km/s near ICB, which is significant for constraining the core composition. If S is the only LE, the density at 10–12 wt% S matches the preliminary reference earth model (PREM). The seismic velocity at 12–15 wt% S matches PREM. These results suggest the presence of other LEs in the outer core.
Anthropogenic Extremely Low Volatility Organics (ELVOCs) Govern the Growth of Molecular Clusters Over the Southern Great Plains During the Springtime
Authors: Shrivastava Manish , Zhang Jie , Zaveri Rahul A. , Zhao Bin , Pierce Jeffrey R. , O’Donnell Samuel E. , Fast Jerome D. , Gaudet Brian , Shilling John E. , Zelenyuk Alla , Murphy Benjamin N. , Pye Havala O. T. , Zhang Qi , Trousdell Justin , Chen Qi 
Published: October 2024

AbstractNew particle formation (NPF) often drives cloud condensation nuclei concentrations and the processes governing nucleation of molecular clusters vary substantially in different regions. The growth of these clusters from ∼2 to >10 nm diameters is often driven by the availability of extremely low volatility organic vapors (ELVOCs). Although the pathways to ELVOC formation from the oxidation of biogenic terpenes are better understood, the mechanistic pathways for ELVOC formation from oxidation of anthropogenic organics are less well understood. We integrate measurements and detailed regional model simulations to understand the processes governing NPF and secondary organic aerosol formation at the Southern Great Plain (SGP) observatory in Oklahoma and compare these with a site within the Bankhead National Forest (BNF) in Alabama, southeast USA. During our two simulated NPF event days, nucleation rates are predicted to be at least an order of magnitude higher at SGP compared to BNF largely due to lower sulfuric acid (H2SO4) concentrations at BNF. Among the different nucleation mechanisms in WRF‐Chem, we find that the dimethylamine (DMA) + H2SO4 nucleation mechanism dominates at SGP. We find that anthropogenic ELVOCs are critical for explaining the growth of particles observed at SGP. Treating organic particles as semisolid, with strong diffusion limitations for organic vapor uptake in the particle phase, brings model predictions into closer agreement with observations. We also simulate two non‐NPF event days observed at the SGP site and show that low‐level clouds reduce photochemical activity with corresponding reductions in H2SO4 and anthropogenic ELVOC concentrations, thereby explaining the lack of NPF.
Sensitivity enhancement of nonlinear micromechanical sensors using parametric symmetry breaking
Authors: Xu Yutao , Yang Qiqi , Song Jiahao , Wei Xueyong 
Published: October 2024

AbstractThe working mechanism of resonant sensors is based on tracking the frequency shift in the linear vibration range. Contrary to the conventional paradigm, in this paper, we show that by tracking the dramatic frequency shift of the saddle-node bifurcation on the nonlinear parametric isolated branches in response to external forces, we can dramatically boost the sensitivity of MEMS force sensors. Specifically, we first theoretically and experimentally investigate the double hysteresis phenomena of a parametrically driven micromechanical resonator under the interaction of intrinsic nonlinearities and direct external drive. We demonstrate that the double hysteresis is caused by symmetry breaking in the phase states. The frequency response undergoes an additional amplitude jump from the symmetry-breaking-induced parametric isolated branch to the main branch, resulting in double hysteresis in the frequency domain. We further demonstrate that significant force sensitivity enhancement can be achieved by monitoring the dramatic frequency shift of the saddle-node bifurcations on the parametric isolated branches before the bifurcations annihilate. Based on the sensitivity enhancement effect, we propose a new sensing scheme which employs the frequency of the top saddle-node bifurcation in the parametric isolated branches as an output metric to quantify external forces. The concept is verified on a resonant MEMS charge sensor. A sensitivity of up to 39.5 ppm/fC is achieved, significantly surpassing the state-of-the-art resonant charge sensors. This work provides a new mechanism for developing force sensors of high sensitivity.
4D-printed intelligent reflecting surface with improved beam resolution via both phase modulation and space modulation
Authors: Kim Kyounghwan , Phon Ratanak , Park Eiyong , Lim Sungjoon 
Published: October 2024

AbstractRecently, intelligent reflecting surfaces (IRSs) have emerged as potential candidates for overcoming the line-of-sight issue in 5 G/6 G wireless communication. These IRSs can manipulate the direction of reflected beams, enabling efficient beam steering to enhance the performance of wireless communication. Each unit cell (or unit structure) of an IRS commonly consists of electrical elements for phase modulation. However, by employing phase modulation alone, an IRS can steer the reflected electromagnetic waves toward only discrete and specific angles, leaving a wide range of out-of-beam areas. In this work, an IRS that uses both phase modulation and space modulation is presented to improve the beam resolution and continuously cover out-of-beam areas that phase modulation alone cannot address. A positive-intrinsic-negative diode is mounted on a unit cell for phase modulation, and a 4D-printed reconfigured structure is fabricated to demonstrate space modulation. The beam-steering function is achieved by alternating the states of the diodes in the same columns, while the beam resolution is improved by controlling the gaps between the columns. The functions are first theoretically and numerically analyzed and then experimentally verified, demonstrating that additional angles of −46°/+50°, −22°/+14°, and −16°/+12° are achieved with space modulation and −60°/+62°, −30°/+22°, and ±16° are achieved by phase modulation alone. The proposed IRS offers the possibility of functional integration in a variety of indoor applications within the wireless communication field.
Quantitative chemical proteomics reveals that phenethyl isothiocyanate covalently targets BID to promote apoptosis
Authors: Dong Xiaoshu , Yu Xinqian , Lu Minghao , Xu Yaxin , Zhou Liyan , Peng Tao 
Published: October 2024

AbstractNaturally occurring isothiocyanates (ITCs) found in cruciferous vegetables, such as benzyl isothiocyanate (BITC), phenethyl isothiocyanate (PEITC), and sulforaphane (SFN), have attracted significant research interest for their promising anti-cancer activity in vitro and in vivo. While the induction of apoptosis is recognized to play a key role in the anti-cancer effects of ITCs, the specific protein targets and associated upstream events underlying ITC-induced apoptosis remain unknown. In this study, we present a set of chemical probes that are derived from BITC, PEITC, and SFN and equipped with bioorthogonal alkynyl handles to systematically profile the target proteins of ITCs in live cancer cells. Using a competition-based quantitative chemical proteomics approach, we identify a range of candidate target proteins of ITCs enriched in biological processes such as apoptosis. We show that BID, an apoptosis regulator of the Bcl-2 family, is covalently modified by ITCs on its N-terminal cysteines. Functional characterization demonstrates that covalent binding to N-terminal cysteines of BID by PEITC results in conformational changes of the protein and disruption of the self-inhibitory interaction between N- and C-terminal regions of BID, thus unleashing the highly active C-terminal segment to exert downstream pro-apoptotic effects. Consistently, PEITC promotes the cleavage and mitochondrial translocation of BID, leading to a strong induction of apoptosis. We further show that mutation of N-terminal cysteines impairs the N- and C-terminal interaction of BID, relieving the self-inhibition and enhancing its apoptotic activity. Overall, our chemical proteomics profiling and functional studies not only reveal BID as the principal target of PEITC in mediating upstream events for the induction of apoptosis, but also uncover a novel molecular mechanism involving N-terminal cysteines within the first helix of BID in regulating its pro-apoptotic potential.
Characterization of Y chromosome diversity in newfoundland and labrador: evidence for a structured founding population
Authors: Zurel Heather , Bhérer Claude , Batten Ryan , MacMillan Margaret E. , Demiriz Sedat , Mirhendi Sadra , Gilbert Edmund , Cavalleri Gianpiero L. , Leach Richard A. , Scott Roderick E. M. , Mugford Gerald , Randhawa Ranjit , Symington Alison L. , Stephens J. Claiborne , Phillips Michael S. 
Published: October 2024

AbstractThe population of Newfoundland and Labrador (NL) is largely derived from settlers who migrated primarily from England and Ireland in the 1700s–1800s. Previously described as an isolated founder population, based on historical and demographic studies, data on the genetic ancestry of this population remains fragmentary. Here we describe the largest investigation of patrilineal ancestry in NL. To determine the paternal genetic structure of the population, 1,110 Y chromosomes from an NL-based cohort were analyzed using 5,761 Y-specific SNPs. We identified 160 distinct terminal haplogroups, the majority of which (71.4%) belong to the R1b haplogroup. When compared with global reference populations, the NL population haplogroup composition and frequencies primarily resemble those observed in English and Irish ancestral source populations. There is also evidence of genetic contributions from Basque, French, Portuguese, and Spanish fishermen and early settlers who frequented NL. Interestingly, the observed population structure shows geographical and religious clustering that can be associated with the settlement of the ancestral source populations from predominantly Protestant, England, and Catholic, Ireland respectively. For example, the R1b-M222 haplogroup, seen in people of Irish descent, is found clustered in the Irish-settled Southeast region of NL. The clustering and expansion of Y haplogroups in conjunction with the geographical and religious clusters illustrate that limited subsequent in-migration, geographic isolation, and societal factors have contributed to the genetic substructure of the NL population and its designation as a founder population.
Systemic and local lipid adaptations underlie regeneration in Drosophila melanogaster and Ambystoma mexicanum
Authors: Kübler Ines C. , Kretzschmar Jenny , Arredondo-Lasso Maria Nieves , Keeley Sean D. , Rößler Luca Claudia , Ganss Katharina , Sandoval-Guzmán Tatiana , Brankatschk Marko 
Published: October 2024

AbstractIn regenerating tissues, synthesis and remodeling of membranes rely on lipid turnover and transport. Our study addresses lipid adaptations in intestinal regeneration of Drosophila melanogaster and limb regeneration of Ambystoma mexicanum. We found changes in lipid profiles at different locations: transport, storage organs and regenerating tissues. We demonstrate that attenuating insulin signaling, exclusively in fat storage, inhibits the regeneration-specific response in both the fat storage and the regenerating tissue in Drosophila. Furthermore, in uninjured axolotls we found sex-specific lipid profiles in both storage and circulation, while in regenerating animals these differences subside. The regenerating limb presents a unique sterol profile, albeit with no sex differences. We postulate that regeneration triggers a systemic response, where organs storing lipids play a significant role in the regulation of systemic lipid traffic. Second, that this response may be an active and well-regulated mechanism, as observed when homeostatic sex-differences disappear in regenerating salamanders.
Trace benzene capture by decoration of structural defects in metal–organic framework materials
Authors: Han Yu , Huang Wenyuan , He Meng , An Bing , Chen Yinlin , Han Xue , An Lan , Kippax-Jones Meredydd , Li Jiangnan , Yang Yuhang , Frogley Mark D. , Li Cheng , Crawshaw Danielle , Manuel Pascal , Rudić Svemir , Cheng Yongqiang , Silverwood Ian , Daemen Luke L. , Ramirez-Cuesta Anibal J. , Day Sarah J. , Thompson Stephen P. , Spencer Ben F. , Nikiel Marek , Lee Daniel , Schröder Martin , Yang Sihai 
Published: October 2024

AbstractCapture of trace benzene is an important and challenging task. Metal–organic framework materials are promising sorbents for a variety of gases, but their limited capacity towards benzene at low concentration remains unresolved. Here we report the adsorption of trace benzene by decorating a structural defect in MIL-125-defect with single-atom metal centres to afford MIL-125-X (X = Mn, Fe, Co, Ni, Cu, Zn; MIL-125, Ti8O8(OH)4(BDC)6 where H2BDC is 1,4-benzenedicarboxylic acid). At 298 K, MIL-125-Zn exhibits a benzene uptake of 7.63 mmol g−1 at 1.2 mbar and 5.33 mmol g−1 at 0.12 mbar, and breakthrough experiments confirm the removal of trace benzene (from 5 to <0.5 ppm) from air (up to 111,000 min g−1 of metal–organic framework), even after exposure to moisture. The binding of benzene to the defect and open Zn(II) sites at low pressure has been visualized by diffraction, scattering and spectroscopy. This work highlights the importance of fine-tuning pore chemistry for designing adsorbents for the removal of air pollutants.
Background uncertainty does not increase risk aversion in decision making
Authors: Leder Johannes , Chapkovski Philipp , Schütz Astrid , Lauer Thomas , Gürerk Özgür 
Published: October 2024

AbstractSome theories in economics and psychology propose that background uncertainty, which is uncertainty that is independent of a person’s actual decision, can alter people’s risk-taking behavior with respect to that decision. However, previous empirical research mostly relying on single experiments is inconclusive regarding the existence of this effect. Here, we systematically investigate the effect of background uncertainty on decision-making. After reviewing the literature, we argue that two types of background uncertainty should be distinguished: (a) background ambiguity, where the decision maker does not know the probability of the outcomes of the background event, and (b) background risk, where the outcome probabilities are known. We tested the hypotheses (i) that background uncertainty does affect risk-taking in the decision at hand, and (ii) the type of background uncertainty moderates that effect. In four experiments (total N =863), we induced background uncertainty (ambiguity or risk) using different methods and measured risk-taking with multiple behavioral tasks. We did not find a significant effect of background uncertainty on risk-taking behavior.
Transfer from goal-directed behavior to stimulus-response habits and its modulation by acute stress in individuals with risky gaming behavior
Authors: Schmid Anna M. , Thomas Tobias A. , Blümel Stefan , Erdal Nicolas K. , Müller Silke M. , Merz Christian J. , Wolf Oliver T. , Brand Matthias , Müller Astrid , Steins-Loeber Sabine 
Published: October 2024

AbstractHabitual responses towards addiction-related cues play a relevant role in the development and maintenance of addictions. Such automatic responses may be more likely under stress, as stress has been shown to induce a shift from goal-directed to habitual behavior. The current study investigated these mechanisms in risky gaming behavior. Individuals with risky gaming behavior (n = 68), as established by a structured clinical interview, and a matched control group (n = 67) completed a Pavlovian-to-Instrumental Transfer (PIT) paradigm with gaming-related cues and rewards. After the Pavlovian training, participants underwent a stress (Trier Social Stress Test) or control condition before performing the instrumental training and the transfer phase of the PIT paradigm. To assess habitual behavior, the gaming-related rewards were devalued after half of the transfer phase. In both groups, gaming-related cues enhanced the choice of the gaming-related reward and this gaming PIT effect was reduced, however, not eliminated by the devaluation. Unexpectedly, stress did not significantly increase responding for the gaming-related reward in participants aware of the stimulus-outcome associations, however seemed to enhance habitual responding in unaware participants. Our findings underline the relevance of gaming-related cues in triggering habitual responses, which may undermine attempts to change a problematic gaming behavior.
A novel alkali and thermotolerant protease from Aeromonas spp. retrieved from wastewater
Authors: Sodagar Najmeh , Jalal Razieh , Najafi Mohsen Fathi , Bahrami Ahmad Reza 
Published: October 2024

AbstractEnzymes are integral to numerous industrial processes, with a growing global demand for various enzyme types. Protease enzymes, in particular, have proven to be cost-effective, stable, and compatible alternatives to traditional chemical processes in both industrial and environmental applications. In this study, an alkaline protease-producing strain of Aeromonas spp. was isolated from a wastewater treatment plant in Iran. The protease production was confirmed by culturing the strain on casein agar medium. The bacterium was identified through morphological, biochemical, and 16 S rRNA sequencing analyses. The optimal culture medium for bacterial growth and enzyme production was obtained using peptone, salt, yeast extract, galactose, and CaCl₂ at an initial pH of 8. Maximum protease production was achieved after 20 h of incubation at 40 °C. To partially purify the enzyme, the supernatant of the bacterial culture medium was first centrifuged, and the enzyme was precipitated using ammonium sulfate, followed by dialysis. Zymography revealed the production of one type of protease during bacterial growth. The partially purified protease exhibited optimal activity at pH 8.5 and maximum stability at pH 9. The optimum temperature for maximum enzyme activity was observed at 50 °C, with 100% residual activity retained for 1 h at 0 °C. The effect of metal ions on enzyme activity was assessed, revealing that KCl induced the most significant effects (p < 0.0001) on enzyme activity. Chemical amino acid modifiers and inhibitors, such as EDTA, DEPSI, and IAA, did not exhibit significant inhibition. In contrast, PMSF and HNBB significantly (p < 0.0001) reduced enzyme activity, suggesting that the enzyme could be classified as a serine protease. The protease also demonstrated high stability in the presence of 2% SDS, showing no signs inactivation. The alkaline pH optimum, thermal stability, and resistance to SDS exhibited by the protease produced by the Aeromonas strain are particularly promising characteristics that warrant further investigation. Based on preliminary tests and the enzyme’s characteristics, this protease can be recommended for various applications, pending further studies.