bluuebunny/crossref_metadata_2025 huggingface dataset:
Reactivity of 2,2‐disubstituted quinazolinone towards electrophilic substitution: First in silico design to verify experimental evidence of quinazolinone‐based new organic compounds
Authors: Sultana Nargis , Sarfraz Muhammad , Akram Sidra , Rashid Umer , Naqvi Syed Ali Raza , Tariq Muhammad I. , Zia Khalid Mahmood , Janjua Muhammad Ramzan Saeed Ashraf
Published: January 2023

In a previous report, we have already synthesized dinitro and dibromo derivatives of 2,2‐disubstituted‐quinazolin‐4(1H)‐one by a facile method. In order to give insight to our experimental results, we herein report on the theoretical investigations of reactivity of synthesized quinazolinone toward bromination and nitration by using density functional theory (DFT) calculations. The optimized molecular geometries of these compounds by using the B3LYP/6–31G(d, p) method have been compared with their X‐ray structures, which are in good agreement. The correlation between the experimental and computational geometrical data is above 90% and root mean square deviation (RMSD) is low ranging from 0.04% to 0.9% except N1‐H1 and N2‐H2 bond where RMSD goes to 1% due to hydrogen bonding between N1‐H1 …..O1 = C1 and N2‐H2 … .O1 = C1. The Mullikan charge distributions at the different atomic sites have been computed and nucleophilic site are guessed by molecular electrostatic potential (MEP) map. In addition, frontier molecular orbitals of these compounds were discussed at the same level of theory, confirming the nucleophilic sites at position 6 and 8 of 4‐quinazolinone.
Controlled modulation of the dynamics of the Deinococcus grandisDps N‐terminal tails by divalent metals
Authors: Guerra João P. L. , Blanchet Clement E. , Vieira Bruno J. C. , Waerenborgh João C. , Jones Nykola C. , Hoffmann Søren Vrønning , Pereira Alice S. , Tavares Pedro
Published: January 2023

DNA‐binding proteins from starved cells (Dps) are small multifunctional nanocages expressed by prokaryotes in acute oxidative stress conditions or during the starvation‐induced stationary phase, as a bacterial defense mechanism. Dps proteins protect bacterial DNA from damage by either direct binding or by removing precursors of reactive oxygen species from solution. The DNA‐binding properties of most Dps proteins studied so far are related to their unordered, flexible, N‐ and C‐terminal extensions. In a previous work, we revealed that the N‐terminal tails of Deinoccocus grandis Dps shift from an extended to a compact conformation depending on the ionic strength of the buffer and detected a novel high‐spin ferrous iron center in the proximal ends of those tails. In this work, we further explore the conformational dynamics of the protein by probing the effect of divalent metals binding to the tail by comparing the metal‐binding properties of the wild‐type protein with a binding site‐impaired D34A variant using size exclusion chromatography, dynamic light scattering, synchrotron radiation circular dichroism, and small‐angle X‐ray scattering. The N‐terminal ferrous species was also characterized by Mössbauer spectroscopy. The results herein presented reveal that the conformation of the N‐terminal tails is altered upon metal binding in a gradual, reversible, and specific manner. These observations may point towards the existence of a regulatory process for the DNA‐binding properties of Dps proteins through metal binding to their N‐ and/or C‐terminal extensions.
Tuning Structural Properties and Interwall Spacing of Double‐Walled GaN Nanotubes
Authors: Keyghobadi-moghaddam Mohamadreza , Movlarooy Tayebeh
Published: January 2023

The structural, stability, and electronic properties of double‐walled GaN nanotubes are investigated based on density functional theory with the SIESTA code. The computations are done on the zigzag (5,0)@(m,0) and (6,0)@(m,0) with m = 11–18 and the armchair (4,4)@(m,m) and (5,5)@(m,m) double‐walled GaN nanotubes with m = 7–15. The calculated binding and formation energies reveal that the armchair and zigzag double‐walled GaN nanotubes with chirality differences of 7, (m,m)@(m + 7, m + 7) and 8, (m,0)@(m + 8,0) and interlayer spacing of about 6.4 and 4.2 Å are the best favorable nanotubes, respectively. Analyzing the electronic structures reveals that all considered armchair and zigzag nanotubes are semiconductors with indirect and direct bandgap, respectively. Furthermore, it is concluded that with increasing diameters of the tubes and the spaces between walls, the value of the bandgap increases, and the change process is almost constant at larger distances between the walls. Also, compared to single‐walled nanotubes, double‐walled GaN nanotubes have a narrower bandgap. Future empirical investigations can definitely benefit from the implications of this research.
A high‐impact meso‐beta vortex in the Adriatic Sea
Authors: Miglietta Mario Marcello , Buscemi Federico , Dafis Stavros , Papa Alvise , Tiesi Alessandro , Conte Dario , Davolio Silvio , Flaounas Emmanouil , Levizzani Vincenzo , Rotunno Richard
Published: January 2023

On the evening of November 12, 2019, an exceptional high tide – the second‐highest in the ranking since sea‐level data have been recorded – hit the city of Venice in northern Italy and its entire lagoon, damaging a large part of its historical center. A small warm‐core mesoscale cyclone, which formed in the central Adriatic Sea and intensified during its northwestward movement toward the Venice lagoon, was responsible for the event. The cyclone was preceded by intense northeasterlies (Bora) in the northern Adriatic, which turned to southeasterlies (Sirocco) and then southwesterlies after its passage. Simulations with different initialization times were carried out with the Weather Research and Forecasting (WRF) model. Simulation results show a strong sensitivity to the initial conditions, since the track (and strength) of the cyclone was determined by the exact position of an upper‐level potential vorticity (PV) streamer. The factors responsible for the cyclone development and its characteristics are also investigated. The pre‐existence of positive low‐level cyclonic vorticity, associated with the convergence of the Sirocco and Bora winds in the central Adriatic, made the environment favorable for cyclone development. Also, the interaction between the upper‐level PV anomaly and the low‐level baroclinicity, created by the advection of warm, humid air associated with the Sirocco, was responsible for the cyclone's intensification, in a manner similar to a transitory (stable) baroclinic interaction at small horizontal scales. Sensitivity experiments reveal that convection, latent heat release and sea‐surface fluxes did not play a significant role, indicating that this cyclone did not show tropical‐like characteristics, notwithstanding its low‐level warm core. Thus, the warm‐core feature appears mainly as a characteristic of the environment in which the cyclone developed rather than a consequence of diabatic processes. Lastly, the cyclone does not fall into any of the existing categories for Adriatic cyclones.
Introducing randomness into univariate control chart sampling strategies for enhancing security against cyber‐physical attacks in production systems
Authors: Elhabashy Ahmad E. , Wells Lee J. , Camelio Jaime A.
Published: January 2023

With recent technological advancements, production systems have become more susceptible to cyber‐physical attacks. Such attacks can be intelligently designed to both alter product dimensions and avoid detection by current Quality Control (QC) tools. The objective of this work is to assess the performance of random sampling strategies for control charting in detecting cyber‐physical attacks. More specifically, the methodology adopts traditional random sampling approaches used for inspection and applies them to univariate control charts. Different random sampling strategies are discussed and their performances under varying attack scenarios are evaluated. In addition, new control chart performance metrics were developed for a more in‐depth analysis, to guide practitioners in assessing how well these control charts increase their robustness to cyber‐physical attacks.
Adverse effect of lactobacilli‐depauperate cervicovaginal microbiota on pregnancy outcomes in women undergoing frozen–thawed embryo transfer
Authors: Tsai Hsiao‐Wen , Tsui Kuan‐Hao , Chiu Yu‐Che , Wang Liang‐Chun
Published: January 2023

Purpose

The cervicovaginal microbiota is essential for maintaining the health of the female reproductive tract. However, whether cervicovaginal microbiota status prior to frozen embryo transfer (FET) associates with pregnancy outcomes is largely unexplored.

Methods

Cervical mucus from 29 women who had undergone FET was collected. Microbial composition was analyzed using 16 S rRNA gene sequence to assess the correlation to the pregnancy outcomes.

Results

CST‐categorized Lactobacillus was the most dominant (41.71%) in the pregnant group, while CST‐IV‐based and BV‐related Gardnerella (34.96%) prevailed in the non‐pregnant group. The average abundance of Gardnerella compared non‐pregnant to pregnant women was the highest (34.96% vs. 4.22%, p = 0.0015) among other CST‐IV indicator bacteria. Multivariate analysis revealed that CST‐IV‐related bacteria have a significantly adverse effect on ongoing pregnancy outcomes (odds ratio, 0.083; 95% confidence index, 0.012–0.589, p = 0.013*).

Conclusions

The study found that the CST‐IV microbiota, with significantly increasing Gardnerella and the loss of Lactobacilli as the dominant bacteria, can potentially contribute to pregnancy failure. Therefore, dysbiotic microbiota may be a risk factor in women undergoing FET. Assessing the health of the cervicovaginal microbiota prior to FET would enable couples to make a more thoughtful decision on the timing and might improve pregnancy outcomes.
Donor insemination for heterosexual couples: A practice in transition
Authors: Kuji Naoaki , Daniels Ken
Published: January 2023

Donor insemination (DI) has long been the treatment of choice for severe male infertility among heterosexual couples. Since disclosing when offspring become adults provokes serious emotional issues, counselors are recommending early disclosure about the treatment. Furthermore, several countries have changed their policies on nonanonymous sperm donation, concerning the strong demand of donor information from the offspring. There is a need for more research in psychosocial areas concerning DI treatment: especially to look at parents' roles (especially for infertile father) and their attitudes toward the need to use a donor to build their family.
The effects of probiotic and phytase on growth performance, biochemical parameters and antioxidant capacity in broiler chickens
Authors: Derakhshan Masoud , Ghasemian Seyedeh Ommolbanin , Gholami‐Ahangaran Majid
Published: January 2023

Background

Probiotics and phytase are commonly used as dietary supplements in poultry diets. Phytase is involved in the release of phosphorus in plant grain ingredient of poultry feed, while probiotics provide beneficial organisms to the gastrointestinal tract.

Objective

The present study was performed to evaluate the effect of both commercial probiotic and phytase on chicken performance and biochemical indices.

Methods

A total of 300 chicks were divided into 4 groups that fed the basal diet, diet containing probiotic (Protexin®), Phytase (Meriphyze 5000®), and probiotic plus phytase all over the growing period. The growth indices were measured weekly, analysed at the 21 and 42 days of age. At 42 days of age, blood samples were collected from all chickens. The concentration of liver enzymes, lipid profiles and antioxidant status were measured in blood samples.

Results

The results showed that the weight gain and feed intake were significantly higher in chickens received phytase alone or phytase in combination with probiotic. The feed conversion ratio (FCR) significantly lower in all supplemented chickens in comparison with control chickens (p < 0.05). Although the addition of probiotic or phytase to chicken diet showed an extent variation in biochemical and antioxidant indices, the addition of phytase plus probiotic showed a significantly increase of blood total protein (TP), albumin (Alb), glutathione peroxidase (GPx), super oxide dismutase (SOD), catalysis (CAT) and total antioxidant capacity (TAC) level, while decrease triglyceride (TG), cholesterol (CHL), aspartate transferase (AST), alanine aminotransferase (ALT) and alkaline phosphatase (ALP) and malondialdehyde (MDA) in comparison to control chickens. The supplementation of chicken diet with probiotic, phytase or probiotic plus phytase did not effect on low‐density lipoprotein (LDL) and high‐density lipoprotein (HDL).

Conclusions

The simultaneous supplementation of probiotics and phytases seems to have a positive effect on growth indices in broilers, but they can cause changes in the serum biochemical profile, which sometimes lead to interference and do not always act synergistically.
Virtual reality relaxation for people with mental health conditions: a systematic review
Authors: Riches Simon , Jeyarajaguru Priyanga , Taylor Lawson , Fialho Carolina , Little Jordan , Ahmed Lava , O’Brien Aileen , van Driel Catheleine , Veling Wim , Valmaggia Lucia
Published: January 2023

Purpose

Vulnerability to stress is linked to poor mental health. Stress management interventions for people with mental health conditions are numerous but they are difficult to implement and have limited effectiveness in this population. Virtual reality (VR) relaxation is an innovative intervention that aims to reduce stress. This review aimed to synthesize evidence of VR relaxation for people with mental health conditions (PROSPERO 269405).

Methods

Embase, Medline, PsycInfo, and Web of Science were searched until 17th September 2021. The review was carried out according to Preferred Reporting Items for Systematic Reviews and Meta-Analyses. The Effective Public Health Practice Project (EPHPP) tool assessed methodological quality of studies.

Results

Searching identified 4550 studies. Eighteen studies (N = 848) were included in the review. Studies were published between 2008 and 2021. Eleven were conducted in Europe. Thirteen studies were controlled trials. Participants were mostly working-age adult outpatients experiencing anxiety or stress-related conditions. Other conditions included eating disorders, depression, bipolar disorder, and psychosis. Five studies tested inpatients. All studies used a range of nature-based virtual environments, such as forests, islands, mountains, lakes, waterfalls, and most commonly, beaches to promote relaxation. Studies provided evidence of the feasibility, acceptability, and short-term effectiveness of VR relaxation to increase relaxation and reduce stress. EPHPP ratings were ‘strong’ (N = 11), ‘moderate’ (N = 4), and ‘weak’ (N = 3).

Conclusions

VR relaxation has potential as a low-intensity intervention to promote relaxation and reduce stress for adults with mental health conditions, especially anxiety and stress-related problems. Further research is warranted on this promising intervention.
Decreased nerve conduction velocity may be a predictor of fingertip dexterity and subjective complaints
Authors: Fukumoto Yuki , Wakisaka Takuya , Misawa Koichi , Hibi Masanobu , Suzuki Toshiaki
Published: January 2023

We examined the causes of decreased fingertip dexterity in elderly individuals with an aim to improve their quality of life by improving their activities of daily living. We calculated nerve conduction velocity, absolute error during force adjustment tasks, and fingertip dexterity test scores for 30 young (21–34 years old) and 30 elderly (60–74 years old) participants to identify age-related changes. We also assessed subjective complaints of pain, motor function, and numbness. Motor nerve (young: 55.8 ± 3.7 m/s; elderly: 52.2 ± 5.0 m/s) and sensory nerve (young: 59.4 ± 3.4 m/s; elderly: 55.5 ± 5.3 m/s) conduction velocities decreased in an age-dependent manner. Moreover, the decrease of motor nerve conduction velocity was associated with decreased fingertip dexterity (objective index), while the decrease of sensory nerve conduction velocity was associated with subjective complaints of pain and motor function (subjective index).
Acquired CFTR dysfunction and dense distribution of ionocytes in nasal mucosa of children with CRS
Authors: Han Yang , Jia Chao , Wang Tieshan , Wang Pengpeng , Liu Wenjing , Qin Yu , Cai Siyu , Yang Xiaojian , Zhang Wei , Liu Yuwei , Xiao Xiao , He Lejian , Ge Wentong , Ni Xin
Published: January 2023

Background

Ionocytes are rare cells in airway epithelium characterized by a high expression of CFTR.

Objectives

To investigate the morphology and distribution of ionocytes and the function of CFTR in the nasal mucosal epithelium of children.

Methods

The exfoliated cells of nasal mucosa from 101 children were detected using flow cytometry to analyze the number of ionocytes and CFTR and the difference of CFTR function. Nasal mucosa and polyps were collected from 10 children with CRSwNP. The RNAscope of FOXI1 and CFTR was detected in pathological paraffin sections. The expression and distribution of ionocytes and CFTR in nasal mucosa and polyp epithelium were observed.

Results

In CRS patients, the number of ionocytes in the nasal epithelium was lower and the number of ionocytes that did not express CFTR was higher, and the function of CFTR was also decreased. The expression of CFTR in the nasal mucosa of CRS showed the characteristics of local dense distribution and increased as the inflammation expanded. The ionocytes were “tadpole-shaped” in the epithelium and gathered in the area of high CFTR expression, the intracellular CFTR was expanded in clusters. Ionocytes that did not express CFTR was more common in the nasal polyps.

Conclusions

The number of ionocytes and the function of CFTR in nasal mucosa of CRS patients decreased. With the expansion of inflammation, CFTR and ionocytes showed more obvious dense distribution. Some ionocytes lost the expression of CFTR and did not show the "tadpole" shape, which may be related to the occurrence of polyps.
Is only-child status associated with a higher blood pressure in adolescence? An observational study
Authors: Pantke Pauline Marie , Herrmann-Lingen Christoph , Rothenberger Aribert , Poustka Luise , Meyer Thomas
Published: January 2023

Growing up with siblings may affect quality of life as well as hemodynamic parameters including blood pressure. Using weighted data from the nationwide and representative German KiGGs study, we assessed the relationship between only-child status, birth order, and arterial blood pressure in a cohort of 7311 adolescents aged between 11 and 17 years. Our data showed that only-children had the highest mean arterial blood pressure (87.3 ± 8.4 mmHg) as compared to first-born (86.3 ± 8.0), middle-born (86.4 ± 8.7), and youngest-born siblings (86.6 ± 8.2; p = 0.012). The two groups of only-children and first-borns differed significantly with respect to their age- and sex-specific, z-scored data for systolic (p = 0.047), diastolic (p = 0.012), and mean arterial blood pressure (p = 0.005). Linear regression models with blood pressure recordings as dependent variable adjusted to age, migration background, and age- and sex-specific z-scores of body-mass index confirmed that only-child status was an independent predictor of a higher diastolic blood pressure (p = 0.037). A similar result was observed for mean arterial blood pressure (p = 0.033), whereas systolic blood pressure was not associated with only-children status (p = 0.258).

   Conclusion: In summary, we found a significant and positive relationship between only-child status and blood pressure, with the highest recordings in only-children and the lowest in first-borns. Models adjusted for relevant clinical confounders demonstrated slightly higher blood pressure in only-children compared to first-borns, who are both in an alpha birth order. Although these blood pressure differences were statistically significant, they have limited, if any, clinical meaning in this age group.

What is Known:• In children and adults, blood pressure is significantly higher in only-children compared to children with siblings. However, it is unclear whether there are also similar blood pressure differences in adolescents and between only-children and first-borns.

What is New:• Among adolescents in the alpha birth order, growing up as an only-child is associated with significantly higher mean blood pressure than among first-borns living with younger siblings.
On Double Hölder regularity of the hydrodynamic pressure in bounded domains
Authors: De Rosa Luigi , Latocca Mickaël , Stefani Giorgio
Published: January 2023

We prove that the hydrodynamic pressure p associated to the velocity $$u\in C^\theta (\Omega )$$

u
∈

C
θ

(
Ω
)

, $$\theta \in (0,1)$$

θ
∈
(
0
,
1
)

, of an inviscid incompressible fluid in a bounded and simply connected domain $$\Omega \subset {\mathbb {R}}^d$$

Ω
⊂

R

d

with $$C^{2+}$$

C

2
+

boundary satisfies $$p\in C^{\theta }(\Omega )$$

p
∈

C
θ

(
Ω
)

for $$\theta \le \frac{1}{2}$$

θ
≤

1
2

and $$p\in C^{1,2\theta -1}(\Omega )$$

p
∈

C

1
,
2
θ
-
1

(
Ω
)

for $$\theta >\frac{1}{2}$$

θ
>

1
2

. Moreover, when $$\partial \Omega \in C^{3+}$$

∂
Ω
∈

C

3
+

, we prove that an almost double Hölder regularity $$p\in C^{2\theta -}(\Omega )$$

p
∈

C

2
θ
-

(
Ω
)

holds even for $$\theta <\frac{1}{2}$$

θ
<

1
2

. This extends and improves the recent result of Bardos and Titi (Philos Trans R Soc A, 2022) obtained in the planar case to every dimension $$d\ge 2$$

d
≥
2

and it also doubles the pressure regularity. Differently from Bardos and Titi (2022), we do not introduce a new boundary condition for the pressure, but instead work with the natural one. In the boundary-free case of the d-dimensional torus, we show that the double regularity of the pressure can be actually achieved under the weaker assumption that the divergence of the velocity is sufficiently regular, thus not necessarily zero.
Cathode materials for lithium-sulfur battery: a review
Authors: Mori Ryohei
Published: January 2023

Lithium-sulfur batteries (LSBs) are considered to be one of the most promising candidates for becoming the post-lithium-ion battery technology, which would require a high level of energy density across a variety of applications. An increasing amount of research has been conducted on LSBs over the past decade to develop fundamental understanding, modelling, and application-based control. In this study, the advantages and disadvantages of LSB technology are discussed from a fundamental perspective. Then, the focus shifts to intermediate lithium polysulfide adsorption capacity and the challenges involved in improving LSBs by using alternative materials besides carbon for cathode construction. Attempted alternative materials include metal oxides, metal carbides, metal nitrides, MXenes, graphene, quantum dots, and metal organic frameworks. One critical issue is that polar material should be more favorable than non-polar carbonaceous materials in the aspect of intermediate lithium polysulfide species adsorption and suppress shuttle effect. It will be also presented that by preparing cathode with suitable materials and morphological structure, high-performance LSB can be obtained.

Graphical abstract
Blocking Two-Pore Domain Potassium Channel TREK-1 Inhibits the Activation of A1-Like Reactive Astrocyte Through the NF-κB Signaling Pathway in a Rat Model of Major Depressive Disorder
Authors: Cong Ting , Sun Ye , Zhou Yitong , Wu Haikuo , Li Liya , Chu Zhenchen , Chen Xue , Li Jinying , Zhao Danmei , Wang Yanfang , Liu Yingxin , Yin Shengming , Xiao Zhaoyang
Published: January 2023

Major depressive disorder (MDD) refers to a widespread psychiatric disorder. Astrocytes play a pivotal role in regulating inflammation which is a well-acknowledged key component in depression pathogenesis. However, the effects of the neuroinflammation-inducing A1-like astrocytes on MDD are still unknown. TWIK-related K+ channel 1 (TREK-1) has been demonstrated to regulate the action of antidepressants. Nevertheless, its mechanisms and effects on A1-like astrocyte stimulation in MDD are not clear. Therefore, we conducted in vivo and in vitro experiments using TREK-1 specific inhibitor spadin. In vivo, rats were subjected to a 6-week chronic unpredictable mild stress (CUMS) followed by spadin treatment. Behavioral tests were employed to surveil depressive-like behaviors. Hippocampal proteomic analysis was carried out with the purpose of identifying differentially expressed proteins after CUMS and spadin treatments. In vitro, astrocyte-conditioned medium and spadin were used to treat rat astrocyte cell line. The activated microglia, inflammatory factors, A1 astrocyte markers, and activated nuclear factor kappa B (NF-κB) pathway were later analyzed using immunofluorescence, western blot, and RT-qPCR. Our findings indicated that blockage of TREK-1 reduced CUMS-induced depressive-like behavior in rats, inhibited the microglial stimulation, reduced inflammatory factor levels, and suppressed the activation of A1-like reactive astrocytes in the hippocampus. We also verified that the suppression of A1-like astrocytes by spadin necessitated the NF-κB pathway. According to the findings, blocking TREK-1 inhibited the activation of A1-like reactive astrocytes via the NF-κB signaling pathway in MDD. Our study preliminarily identifies a novel antidepressant mechanism of TREK-1 action and provides a therapeutic path for MDD.
The Inferential Meaning of Controversial Terms: The Case of “Terrorism”
Authors: Gascón José Ángel
Published: January 2023

The international community has not been able to agree on a definition of “terrorism,” which has been a controversial term for decades. In order to understand the controversy, here the meaning of “terrorism” is analysed by means of the inferentialist framework developed by Robert Brandom. It will be shown that there is wide agreement about (at least some of) the consequences of application of the term, whereas the conditions of application are precisely what is at issue. Three consequences of application will be distinguished: epistemic, evaluative, and programmatic. Evaluative and programmatic consequences of application of the term “terrorism” are widespread and very serious, even in the absence of a precise definition, and that explains why the conditions of application are a controversial matter. In the end, the controversy is best understood as a clash of interests regarding when the consequences of the term should apply.
Jamming-aware optimization for UAV trajectory design and internet of things devices clustering
Authors: Almasoud Abdullah
Published: January 2023

Radio jamming represents a serious threat in wireless networks that can cause denial of service (DoS) attacks for the network users. The jammer transmits jamming signals to disrupt the normal operation of the wireless networks. With proliferation of unmanned aerial vehicle (UAV)-based wireless networks and Internet of Things technologies, jamming attacks have become a major challenge to the practical adoption of these technologies. In this paper, we investigate the problem of optimizing the performance of the UAV data collection from ground IoT devices in presence of a malicious jammer. The IoT devices are clustered, and the UAV collects the data from the cluster heads (CHs) such that the harmful effect of the jammer is mitigated. The objective is to minimize the flight time of the UAV while collecting the data from the ground IoT devices in presence of the jamming attack. We modeled our problem mathematically as an integer linear program (ILP). Due to the difficulty of solving the optimization problem when the scale of the problem is large, we proposed Jamming-Aware UAV Routing and IoT Devices Clustering Algorithm (JA-RC). This algorithm is Genetic-based and can solve the original optimization problem in a more efficient way. Then, we investigate the performance of the proposed algorithm under different settings and scenarios.
Quantification of the Kinetic Energy Conversion to Temperature Increase in Metal-on-Metal Impacts up to Hypervelocity Conditions by Molecular Dynamics Simulation
Authors: Signetti S. , Heine A.
Published: January 2023

The dynamic impact loading of metals goes along with energy conversion from kinetic energy to internal energy and, ultimately, temperature increase. The fraction of the kinetic energy partitioned into heating is strongly dependent on the impact velocity. Limiting cases are already well characterized, both experimentally and numerically. At low velocities, plastic work is the main source of internal energy increase and contributes to approximately 100% to material heating. Toward high velocities, approaching a hydrodynamic-like condition but still below the threshold for material melting or vaporization, about 50% of the kinetic energy is converted to internal energy. The current work addresses the intermediate regime of mixed phenomenology, where analytical descriptions are hardly feasible and typical simulation methods of impact engineering, namely hydrocodes, fail to make reliable numerical predictions. For this purpose, we here alternatively apply molecular dynamics simulations at the nanometer scale, taking iron as exemplary test case. The results complement early findings by extending them to a broader range of validity.
Can We Talk About Pay Discrimination/Equal Pay/Strategic Compensation Practices? An Exploratory Study on Framing Gender Pay Inequity
Authors: Raile Amber N. W. , Austin Caroline Graham , Bratton Virginia K.
Published: January 2023

Situated within the public will and political will framework, this paper explores frames to address the social issue of gender pay inequity. Specifically, the authors examine whether demographic characteristics affect perceived acceptability of different frames describing gender pay inequity and perceptions of this social issue. First, the authors identified 26 terms used to discuss gender pay inequity; this list was narrowed to 12, representing four categories. Next, the authors solicited sentiment reactions to those frames and perceptions of gender pay inequity. Taken together, the results indicated that although respondents had consistently positive reactions to the frames fair pay, equal pay, and pay fairness, perceptions varied across demographic groups. The biggest effects were consistently for political party-related variables. One frame, strategic compensation practices, emerged as a value-neutral frame that could potentially be used to reframe the issue and re-engage business and political stakeholders who do not perceive gender pay inequity as problematic.
Clostridioides difficile colonization and the frequency of subsequent treatment for C. difficile infection in critically ill patients
Authors: MacKenzie Erica L. , Murillo Cynthia , Bartlett Allison H. , Marrs Rachel , Landon Emily M. , Ridgway Jessica P.
Published: January 2023

Objective:

To determine risk factors for Clostridioides difficile colonization and C. difficile infection (CDI) among patients admitted to the intensive care unit (ICU).

Design:

Retrospective observational cohort study.

Setting:

Tertiary-care facility.

Patients:

All adult patients admitted to an ICU from July 1, 2015, to November 6, 2019, who were tested for C. difficile colonization. Patients with CDI were excluded.

Methods:

Information was collected on patient demographics, comorbidities, laboratory results, and prescriptions. We defined C. difficile colonization as a positive nucleic acid amplification test for C. difficile up to 48 hours before or 24 hours after intensive care unit (ICU) admission without evidence of active infection. We defined active infection as the receipt of an antibiotic whose only indication is the treatment of CDI. The primary outcome measure was the development of CDI up to 30 days after ICU admission. Logistic regression was used to model associations between clinical variables and the development of CDI.

Results:

The overall C. difficile colonization rate was 4% and the overall CDI rate was 2%. Risk factors for the development of CDI included C. difficile colonization (aOR, 13.3; 95% CI, 8.3–21.3; P < .0001), increased ICU length of stay (aOR, 1.04; 95% CI, 1.03–1.05; P < .0001), and a history of inflammatory bowel disease (aOR, 3.8; 95% CI, 1.3–11.1; P = .02). Receipt of any antibiotic during the ICU stay was associated with a borderline increased odds of CDI (aOR, 1.9; 95% CI, 1.0–3.4; P = .05).

Conclusion:

C. difficile colonization is associated with the development of CDI among ICU patients.
First report of eprinomectin-resistant isolates ofHaemonchus contortusin 5 dairy sheep farms from thePyrénées Atlantiques départementin France
Authors: Jouffroy S. , Bordes L. , Grisez C. , Sutra J. F. , Cazajous T. , Lafon J. , Dumont N. , Chastel M. , Vial-Novella C. , Achard D. , Karembe H. , Devaux M. , Abbadie M. , Delmas C. , Lespine A. , Jacquiet P.
Published: January 2023

Infection of sheep by gastrointestinal nematodes (GIN) in pastoral systems such as those found in the South Western area of France, thePyrénées Atlantiques, is one of the main reasons for economic loss and degradation of their welfare. In the present study, the efficacy of eprinomectin (EPN) was monitored on farms from this area following suspicion of lack of anthelmintic efficacy. Suspicions were raised by veterinarians, based on clinical signs ranging from milk and body condition loss, to anaemia, and mortality. Resistance was evaluated according to the World Association for the Advancement for Veterinary Parasitology (WAAVP) guidelines using fecal egg count reduction tests reinforced by individual analysis of drug concentration in the serum of all treated ewes by high-performance liquid chromatography (HPLC). EPN was administered by subcutaneous (SC) and topical (T) route according to manufacturer's requirements, as well as by the oral route (O) with the topical solution according to off-labelled practices in the field. For the first time in France, the presence of resistant isolates ofHaemonchus contortusto EPN was observed in 5 dairy sheep farms. The HPLC dosages showed exposure of worms to concentrations compatible with anthelmintic activity for animals treated by the SC and O routes. By contrast, they showed under exposure to the drug of most individuals treated by the T route. EPN is the only null milk withdrawal anthelmintic molecule currently available. The presence of resistant isolates of the pathogenicH. contortusto EPN in this important dairy region requires an urgent change in grazing, and sometimes production, systems.
Cold Gas in Outflow: Evidence for Delayed Positive AGN Feedback
Authors: Qiu Yu
Published: January 2023

Multiphase outflows driven by active galactic nuclei (AGN) have a profound impact on the evolution of their host galaxies. The effects of AGN feedback are especially prominent in the brightest cluster galaxies (BCGs) of cool-core clusters, where there is a concentration of gas in all phases, ranging from cold molecular gas to hot, >107 K ionized plasma. In this proceeding I describe recent simulation efforts to understand the formation and evolution of the 10-kpc-scale Hα-emitting filaments driven by AGN activities. Combined with observed star formation regions co-spatial with the filaments, this feedback mechanism can directly contribute to the growth of the central galaxy, albeit delayed by the characteristic radiative cooling timescale, ∼10 Myr, of the outflowing plasma.
Absorption spectra from galactic wind models: a framework to link PLUTO simulations to TRIDENT
Authors: Casavecchia Benedetta , Banda-Barragán Wladimir E. , Brüggen Marcus , Brighenti Fabrizio
Published: January 2023

Galactic winds probe how feedback regulates the mass and metallicity of galaxies. Galactic winds have cold gas, which is mainly observable with absorption and emission lines. Theoretically studying how absorption lines are produced requires numerical simulations and realistic starburst UV backgrounds. We use outputs from a suite of 3D PLUTO simulations of wind-cloud interactions to first estimate column densities and temperatures. Then, to create synthetic spectra, we developed a python interface to link our PLUTO simulations to TRIDENT via the YT-package infrastructure. We produce UV backgrounds accounting for the star formation rate of starbursts. For this purpose, we use fluxes generated by STARBURST99, which are then processed through CLOUDY to create customised ion tables. Such tables are subsequently read into TRIDENT to generate absorption spectra. We explain how the various packages and tools communicate with each other to create ion spectra consistent with spectral energy distributions of starburst systems.
Stellar activity effects on the atmospheric escape of hot Jupiters
Authors: Mitani Hiroto , Nakatani Riouhei , Yoshida Naoki
Published: January 2023

Transit observations have revealed the existence of atmospheric escape in several hot Jupiters. High energy photons from the host star heat the upper atmosphere and drive the hydrodynamic escape. The escaping atmosphere can interact with the stellar wind from the host star. We run radiation hydrodynamics simulations with non-equilibrium chemistry to investigate the wind effects on the escape and the transit signature. Our simulations follow the planetary outflow driven by the photoionization heating and the wind interaction in a dynamically coupled, self-consistent manner. We show that the planetary mass-loss rate is almost independent of the wind strength, which however affects the Ly-α transit depth considerably. But the Hα transit depth is almost independent of the wind strength because it is largely caused by the lower hot layer. We argue that observations of both lines can solve the degeneracy between the EUV flux from the host and the wind strength.
Numerical 2D MHD simulations of the collapse of magnetic rotating protostellar clouds with the Enlil code
Authors: Khaibrakhmanov Sergey , Zamozdra Sergey , Kargaltseva Natalya , Zhilkin Andrey , Dudorov Alexander
Published: January 2023

We numerically investigate the gravitational collapse of rotating magnetic protostellar clouds. The simulations are performed using 2D MHD code ‘Enlil’. The code is based on TVD scheme of increased order of accuracy. We developed a model of the initially non-uniform cloud, which self-consistently treats gas density and large-scale magnetic field distribution. Simulation results for the typical parameters of a solar mass cloud are presented. In agreement with our previous results for the uniform cloud, the isothermal collapse of the non-uniform cloud results in formation of hierarchical structure of the cloud, consisting of flattened envelope and thin quasi-magnetostatic primary disk near its equatorial plane. The non-uniform cloud collapses longer than the uniform one, since the magnetic field is dynamically stronger at the periphery of the cloud in the former case.
Two-dimensional MHD model of gas flow dynamics near a young star with a jet and a protoplanetary disk
Authors: Grigoryev V. V. , Dmitriev D. V. , Demidova T. V.
Published: January 2023

A numerical nonstationary two-dimensional MHD model of a protoplanetary disk near T Tauri star with a jet is developed. The model assumes consideration of pure gas ionization, optically thin cooling, anisotropic thermal conductivity and viscosity. The relaxation of gas-dynamic flows is analyzed. Based on the evolution of plasma flows, profiles of hydrogen spectral lines have been obtained.
Mass ejection from neutron-star mergers
Authors: Shibata Masaru , Fujibayashi Sho , Hayashi Kota , Kiuchi Kenta , Wanajo Shinya
Published: January 2023

Merger of binary neutron stars and black hole-neutron star binaries is the promising source of short-hard gamma-ray bursts, the most promising site for the r-process nucleosynthesis, and the source of kilonovae. To theoretically predict the merger and mass ejection processes and resulting electromagnetic emission, numerical simulation in full general relativity (numerical relativity) is the unique approach. We summarize our current understanding for the processes of neutron-star mergers and subsequent mass ejection based on the results of long-term numerical-relativity simulations. We pay particular attention to the electron fraction of the ejecta.
PION: Simulations of Wind-Blown Nebulae
Authors: Mackey Jonathan , Green Samuel , Moutzouri Maria , Haworth Thomas J. , Kavanagh Robert D. , Celeste Maggie , Brose Robert , Zargaryan Davit , O’Rourke Ciarán
Published: January 2023

We present an overview of PION, an open-source software project for solving radiation-magnetohydrodynamics equations on a nested grid, aimed at modelling asymmetric nebulae around massive stars. A new implementation of hybrid OpenMP/MPI parallel algorithms is briefly introduced, and improved scaling is demonstrated compared with the current release version. Three-dimensional simulations of an expanding nebula around a Wolf-Rayet star are then presented and analysed, similar to previous 2D simulations in the literature. The evolution of the emission measure of the gas and the X-ray surface brightness are calculated as a function of time, and some qualitative comparison with observations is made.
A radiation hydrodynamics scheme on adaptive meshes using the Variable Eddington Tensor (VET) closure
Authors: Menon Shyam H. , Federrath Christoph , Krumholz Mark R. , Kuiper Rolf , Wibking Benjamin D. , Jung Manuel
Published: January 2023

We present a new algorithm to solve the equations of radiation hydrodynamics (RHD) in a frequency-integrated, two-moment formulation. Novel features of the algorithm include i) the adoption of a non-local Variable Eddington Tensor (VET) closure for the radiation moment equations, computed with a ray-tracing method, ii) support for adaptive mesh refinement (AMR), iii) use of a time-implicit Godunov method for the hyperbolic transport of radiation, and iv) a fixed-point Picard iteration scheme to accurately handle the stiff nonlinear gas-radiation energy exchange. Tests demonstrate that our scheme works correctly, yields accurate rates of energy and momentum transfer between gas and radiation, and obtains the correct radiation field distribution even in situations where more commonly used – but less accurate – closure relations like the Flux-limited Diffusion and Moment-1 approximations fail. Our scheme presents an important step towards performing RHD simulations with increasing spatial and directional accuracy, effectively improving their predictive capabilities.
Favoured Inflationary Models by SFC Baryogenesis
Authors: Panayotova Mariana , Kirilova Daniela
Published: January 2023

We provide analysis of the baryon asymmetry generated in the Scalar Field Condensate (SFC) baryogenesis model obtained in new inflation, chaotic inflation, Starobinsky inflation, MSSM inflation, quintessential inflation, considering both cases of efficient thermalization after inflation and also delayed thermalization. We have found that baryon asymmetry generated in SFC baryogenesis model is considerably bigger than the observed one for the new inflation, new inflation model by Shafi and Vilenkin, MSSM inflation, chaotic inflation with high reheating temperature and the simplest Shafi-Vilenkin chaotic inflationary model. Therefore, strong diluting mechanisms are needed to reduce the baryon excess to its observational value today for these models. We have shown that for the SFC baryogenesis model a successful generation of the observed baryon asymmetry is possible in Modified Starobinsky inflation, chaotic inflation with low reheating temperature, chaotic inflation in SUGRA and quintessential inflationary model.
Modelling astrophysical fluids with particles
Authors: Rosswog Stephan
Published: January 2023

Computational fluid dynamics is a crucial tool to theoretically explore the cosmos. In the last decade, we have seen a substantial methodological diversification with a number of cross-fertilizations between originally different methods. Here we focus on recent developments related to the Smoothed Particle Hydrodynamics (SPH) method. We briefly summarize recent technical improvements in the SPH-approach itself, including smoothing kernels, gradient calculations and dissipation steering. These elements have been implemented in the Newtonian high-accuracy SPH code MAGMA2 and we demonstrate its performance in a number of challenging benchmark tests. Taking it one step further, we have used these new ingredients also in the first particle-based, general-relativistic fluid dynamics code that solves the full set of Einstein equations, SPHINCS_BSSN. We present the basic ideas and equations and demonstrate the code performance at examples of relativistic neutron stars that are evolved self-consistently together with the spacetime.
Hybrid magnetic structures around spinning black holes connected to a surrounding accretion disk
Authors: El Mellah I. , Cerutti B. , Crinquand B. , Parfrey K.
Published: January 2023

The hot accretion flow around Kerr black holes is strongly magnetized. Magnetic field loops sustained by a surrounding accretion disk can close within the event horizon. We performed particle-in-cell simulations in Kerr metric to capture the dynamics of the electromagnetic field and of the ambient collisionless plasma in this coupled configuration. We find that a hybrid magnetic topology develops with a closed magnetosphere co-existing with open field lines threading the horizon reminiscent of the Blandford-Znajek solution. Further in the disk, highly inclined open magnetic field lines can launch a magnetically-driven wind. While the plasma is essentially force-free, a current sheet forms above the disk where magnetic reconnection produces macroscopic plasmoids and accelerates particles up to relativistic Lorentz factors. A highly dynamic Y-point forms on the furthest closed magnetic field line, with episodic reconnection events responsible for transient synchrotron emission and coronal heating.
Merging of spinning binary black holes in globular clusters
Authors: Sobolenko Margarita , Berczik Peter , Arca Sedda Manuel , Maliszewski Konrad , Giersz Mirek , Spurzem Rainer
Published: January 2023

Based on our current high resolution direct N-body modelling of the Milky Way typical Star Cluster systems dynamical evolution we try to numerically estimate the influence of individual spin values and orientations on gravitational wave (GW) waveforms and observed time-frequency maps during multiple cycles for binary black hole (BBH) mergers. In our up to date N-body dynamical simulations we use the high order relativistic post-Newtonian corrections for the BH binary particles (3.5 post-Newtonian (PN) terms including spin-spin and spin-orbit terms). In the current work, we present the GW waveforms catalogue which covers the large parameter space in mass ratios 0.05 - 0.82 and extreme possible individual spin cases.
3D Realistic Modeling of Solar-Type Stars to Characterize the Stellar Jitter
Authors: Kitiashvili Irina , Granovsky Samuel , Wray Alan
Published: January 2023

Detection of Earth-mass planets with the radial velocity method requires a precision of about 10cm/s to identify a signal caused by such a planet. At the same time, noise originating in the photospheric and subphotospheric layers of the parent star is of the order of meters per second. Understanding the physical nature of the photospheric noise (so-called stellar jitter) and characterizing it are critical for developing techniques to filter out these unwanted signals. We take advantage of current computational and technological capabilities to create 3D realistic models of stellar subsurface convection and atmospheres to characterize the photospheric jitter. We present 3D radiative hydrodynamic models of several solar-type target stars of various masses and metallicities, discuss how the turbulent surface dynamics and spectral line characteristics depend on stellar properties, and provide stellar jitter estimates for these stars.