bluuebunny/crossref_metadata_2025 huggingface dataset:
Prediction Model for Coformer Screening of Energetic Eutectics Based on Flory‐Huggins Interaction Parameter
Authors: Chen Lingyuan , You Ting , Liu Yingzhe , Duan Xiaohui
Published: October 2024

Based on intermolecular interactions, Flory‐Huggins interaction parameter χAB>0 was presented as a prediction model to screen the coformer of energetic eutectics. To evaluate the predictive accuracy of this model, 80 energetic eutectics were collected from literatures. The molecular structures were optimized by computationally cheap molecular mechanics and high precision dispersion‐corrected density functional, respectively. Then the weighted Monte Carlo method was used to calculate the mixing energy ΔEmix of the binary system and thus derive the dimensionless χAB. The results show that the prediction accuracy is up to 85% based on M06‐2X‐D3/6‐311+G (d, p) optimization geometry and RESP charge, much greater than 45% of molecular mechanics method. Furthermore, size/shape mismatch between eutectic molecules was considered by shape index and molecular volume to enrich the prediction model. Based on this prediction model, a new energetic eutectic MTNP‐TNT was discovered, whose χAB value is 3.376 obtained by M06‐2X‐D3/6‐311+G (d, p) method. Experimentally, the classical “V” phase diagram drawn from the differential scanning calorimetry (DSC) data also suggests the MTNP‐TNT eutectic with eutectic temperature of 54.41°C at the molar ratio of 51.50: 48.50. Theoretical and experimental results successfully validate the χAB>0 prediction model for screening the coformers of energetic eutectics. This work opens a way for the crystal engineering of energetic eutectic solid forms with attractive physicochemical properties using a computational approach.
Farmers' perception, knowledge, and control attitudes of rodents infesting cereal growing areas in Morocco
Authors: Assidi Meryem , El Hajjaji Souad , Laasli Salah‐Eddine , Akki Rachid , Iraqi Driss , Khayi Slimane , Lahlali Rachid , Dababat Abdelfattah A. , Daliakopoulos Ioannis , Mokrini Fouad
Published: October 2024

BACKGROUND

Rodent pests threaten agricultural cropping systems, impacting food security and small‐holder farmers' income in cereal‐growing areas.

RESULTS

This study investigated knowledge, attitude, and practices (KAPs) toward rodents infesting Moroccan cereal crops through a survey of 100 farmers in two regions (Rabat‐Sale‐Kenitra and Fes‐Meknes). A constructive questionnaire about all rodent aspects was created and distributed to the farmers. Rodent infestation is perceived in most fields (80%), with Mus musculus (28%) and Rattus rattus (26%) being the most prevalent species. Farmers perceived rodents negatively (> 90%), considering them as a major threat. Most of the control attitudes against rodent infestation were positive when continuously established and promoted. The farmer profile was shown to influence rodent knowledge and control attitude. Younger, educated, and experienced farmers understood rodent damage trends better and adopted environmental‐friendly management practices, while older, inexperienced respondents preferred to use rodenticides instead.

CONCLUSION

The study revealed novel insights into rodent problems in Moroccan cereal fields and urged the need for ecologically‐based rodent management (EBRM) practices. © 2024 Society of Chemical Industry.
Physiologically based pharmacokinetic modeling of long‐acting extended‐release naltrexone in pregnant women with opioid use disorder
Authors: Shenkoya Babajide , Gopalakrishnan Mathangi , Eke Ahizechukwu C.
Published: October 2024

Opioid use disorders (OUD) are a major issue in the U.S. Current treatments for pregnant women, like methadone and buprenorphine require daily dosing and have adverse effects. Monthly injectable naltrexone (XR‐NTX) mitigates these adverse effects but is not recommended during pregnancy due to limited pharmacokinetic and safety data. This study developed a physiologically based pharmacokinetic (PBPK) model to describe XR‐NTX pharmacokinetics during pregnancy, and to predict dosing recommendations. Model predictions were successfully validated with observed data. Maternal plasma XR‐NTX profiles were simulated for 400 non‐pregnant virtual females at the approved dose of 380 mg, then randomized to continue with either 380, 285, 190, or 95 mg during pregnancy. The non‐pregnant virtual females had a mean predicted Cmax, AUC0‐7days, and AUC0‐28days of 23.3 ng/mL, 142 ng·d/mL, and 148 ng·d/mL, respectively. Maternal XR‐NTX exposure (AUC0‐28days) were predicted to increase by 1.37, 1.43, and 1.72 times during the first, second, and third trimester of pregnancy. However, the fetal‐to‐maternal exposure (AUC0‐28days) was lower in the first (15%), second (7%), and third (9%) trimesters. A dose of 285 mg of XR‐NTX in pregnancy during the first/second trimester and dose of 190 mg in the third trimester were predicted to provide maternal exposures that were comparable to non‐pregnant levels at the standard dose. This study provides crucial insights into XR‐NTX pharmacokinetics and proposes a dosing strategy during pregnancy, potentially aiding further clinical investigations and decision making regarding XR‐NTX use during pregnancy.
Evaluating Sulfur as a P‐Type Dopant in Cu3N Using Ab Initio Methods
Authors: Alqunais Sajjad A. , Islam Md Maidul , Dumre Bishal B. , Khare Sanjay V. , Georgiev Daniel G.
Published: October 2024

Copper nitride (Cu3N) is an environmentally friendly semiconducting material with bipolar doping capability and is of interest to various applications. As deposited Cu3N films have inherent n‐type conductivity, further controllable n‐type doping is possible by introducing metal impurities. First‐principles methods based on density functional theory and beyond have been employed to study the p‐type doping behavior of sulfur atoms in Cu3N. The structural, electronic, optical, and thermal properties of pure Cu3N and sulfur‐doped Cu3N are computed for single and 3 × 3 × 3 supercells. Sulfur doping causes a shift from intrinsic n‐type to p‐type behavior. This study confirms that sulfur atoms in sulfur‐doped copper nitride preferentially occupy interstitial positions over nitrogen substitution, face‐centered, or copper substitution sites. Due to this change and an increased lattice constant, Cu3N becomes a softer material with a larger bandgap in the single‐cell alloy. Doped Cu3N supercell results show significant changes in optical properties appropriate for solar and other photoelectric applications. Cu3N:S exhibits remarkable enhancements in power factor and thermal and electrical conductivity, indicating potentially better performance in thermoelectric applications. The dielectric constant and absorption coefficient also significantly change with the incorporation of sulfur into Cu3N.
Identification of plant soil water and soil aeration corequisites: A management tool
Authors: Pragg Beaulah , Lakshani M. M. T. , Deepagoda T. K. K. Chamindu , Cameron Keith , Di Hong , Clough Timothy J. , Carrick Sam , Elberling Bo , Smits K.
Published: October 2024

Plant‐available soil‐water and adequate soil aeration within the root zone are essential corequisites for successful plant growth. Characterization of these two requirements for plant growth is generally done by independent measurements of water and air phase properties and functions in soil, with limited emphasis on their combined effect. This study investigated soil‐water characteristic (SWC) measurements in vadose soil profiles (up to 117‐cm depth) in six pasture soils to examine the combined behavior of soil‐water and diffusion‐controlled aeration within the root zone. The soil moisture measurements were made over matric potentials ranging from −1 to −1500 kPa using tension table and pressure plate apparatus. The van Genuchten model was used to parameterize the measured SWC curve, while the Millington–Quick model was used to derive soil‐gas diffusivity from measured soil physical properties. Based on two simple indices, derived to represent plant‐available soil‐water and soil aeration status at a given moisture content, we propose an assessment matrix, which illustrates how a soil satisfies the corequisites for successful plant growth, as it drains to different matric potentials upon irrigation. Results show a pronounced effect of soil texture and, to a lesser extent, soil structure on satisfying these corequisites. With the aid of the assessment matrix, we observed that loam, sandy loam textures exhibited a good overall performance, while sand, clay loam, and clay soils struggled to meet these corequisites during drainage.
A Complex Meta‐Regression Model to Identify Effective Features of Interventions From Multi‐Arm, Multi‐Follow‐Up Trials
Authors: Davies Annabel L. , Higgins Julian P. T.
Published: October 2024

Network meta‐analysis (NMA) combines evidence from multiple trials to compare the effectiveness of a set of interventions. In many areas of research, interventions are often complex, made up of multiple components or features. This makes it difficult to define a common set of interventions on which to perform the analysis. One approach to this problem is component network meta‐analysis (CNMA) which uses a meta‐regression framework to define each intervention as a subset of components whose individual effects combine additively. In this article, we are motivated by a systematic review of complex interventions to prevent obesity in children. Due to considerable heterogeneity across the trials, these interventions cannot be expressed as a subset of components but instead are coded against a framework of characteristic features. To analyse these data, we develop a bespoke CNMA‐inspired model that allows us to identify the most important features of interventions. We define a meta‐regression model with covariates on three levels: intervention, study, and follow‐up time, as well as flexible interaction terms. By specifying different regression structures for trials with and without a control arm, we relax the assumption from previous CNMA models that a control arm is the absence of intervention components. Furthermore, we derive a correlation structure that accounts for trials with multiple intervention arms and multiple follow‐up times. Although, our model was developed for the specifics of the obesity data set, it has wider applicability to any set of complex interventions that can be coded according to a set of shared features.
Synthesis of New Imidazolo‐Benzenesulfonamide Linked 1,2,3‐Triazoles as Potent Antibacterial and Antibiofilm Agents
Authors: Ramu Nagavelli , Palabindela Rambabu , Kapavarapu Ravikumar , Narsimha Sirassu
Published: October 2024

In search of better antibacterial and antibiofilm agents, this report presents a series of novel 1,2,3‐triazole‐imidazole‐benzenesulfonamide derivatives that were synthesized and evaluated for their antibacterial and antibiofilm activity in vitro. Antibacterial activity against three Gram‐positive bacterial strains, B. subtilis, S. aureus, and S. epidermidis, was evaluated. Among all the tested compounds, 4‐methyl‐N‐(1‐methyl‐1H‐imidazol‐2‐yl)‐N‐((1‐(4‐(trifluoromethyl)phenyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)benzenesulfonamide and N‐((1‐(3,5‐difluorophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)‐4‐methyl‐N‐(1‐methyl‐1H‐imidazol‐2‐yl)benzenesulfonamide exhibited potent antibacterial activity against S. aureus and B. subtilis bacterial strains. Biofilm profiles for the potent compounds and it was observed from the results that the above two active compounds displayed promising biofilm inhibition against B. subtilis and S. aureus, with MIC values ranging between 2.19 ± 0.37 and 3.38 ± 0.35 µg/mL. Furthermore, potent compounds screened for their in silico molecular docking studies against penicillin‐binding protein and compound N‐((1‐(3,5‐dichlorophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)‐4‐methyl‐N‐(1‐methyl‐1H‐imidazol‐2‐yl)benzenesulfonamide show highest binding energy as compared to the standard and remaining compounds.
Unraveling the Fundamentals of Axial Coordination FeN4+1 Sites Regulating the Peroxymonosulfate Activation for Fenton‐Like Activity
Authors: Jin Sijia , Tan Wenxian , Tang Xiaofeng , Li Mengxuan , Yu Xinyi , Zhang Haiyan , Song Shuang , Zeng Tao
Published: October 2024

Precise modulation of the axial coordination microenvironment in single‐atom catalysts (SACs) to enhance peroxymonosulfate (PMS) activation represents a promising yet underexplored approach. This study introduces a pyrolysis‐free strategy to fabricate SACs with well‐defined axial‐FeN4+1 coordination structures. By incorporating additional out‐of‐plane axial nitrogen into well‐defined FeN4 active sites within a planar, fully conjugated polyphthalocyanine framework, FeN4+1 configurations are developed that significantly enhance PMS activation. The axial‐FeN4+1 catalyst excelled in activating PMS, with a high bisphenol A (BPA) degradation rate of 2.256 min−1, surpassing planar‐FeN4/PMS systems by 6.8 times. Theoretical calculations revealed that the axial coordination between N and the Fe sites forms an optimized axial FeN4+1 structure, disrupting the electron distribution symmetry of Fe and optimizing the electron distribution of the Fe 3d orbital (increasing the d‐band center from −1.231 to −0.432 eV). Consequently, this led to an enhanced perpendicular adsorption energy of PMS from −1.79 to −1.82 eV and reduced energy barriers for the formation of the key reaction intermediate (O*) that generates 1O2. This study provides new insights into PMS activation through the axial coordinated engineering of well‐defined SACs in water purification processes.
Structural Modifications due to Bi‐Doping in MAPbBr3 Single Crystals and Their Impact on Electronic Transport and Stability
Authors: Youn Sarah Su‐O , Kim Gee Yeong , Jo William
Published: October 2024

Doping strategy in lead halide perovskites is essential to enhance its optoelectrical properties and expand the potential applications. In this work, the mechanisms, for how dopants affect the overall structural, optical, electrical, and chemical properties and stability of lead halide perovskite materials, are investigated. This is done by specifically considering various bismuth (Bi) doping concentrations in MAPbBr3 single crystals grown using the inverse temperature crystallization method. The resultant doped single crystals exhibit a saturation point when Bi concentration exceeds 0.063% which is considered an optimum doping point. The highest thermal stability is also achieved at this doping concentration among the doped single crystals. This study clearly identifies how Bi doping affects the properties of MAPbBr3 and extends to consider stability, which has not been fully considered for MA‐based perovskites previously. This will provide a clear understanding of evaluating doped perovskite materials for enhanced material properties, device performance, and stability.
Effect of Pressure on the Linear Friction Welding of a Tool Steel and a Low‐Alloy Carbon Steel
Authors: Zambrano Oscar A. , Gholipour Javad , Wanjara Priti , Jiang Jiaren (Jimmy)
Published: October 2024

This study investigates the effect of pressure (burn‐off and forging) on the mechanical properties of the joint between a wear‐resistant tool steel and a low‐alloy steel using linear friction welding. The authors have previously demonstrated the feasibility of joining these dissimilar materials, but the impact of pressure on the mechanical properties of the bimaterial joint remains unclear. To address this, weld samples are prepared using different pressures and are characterized through microstructural analysis, microhardness, tensile testing, and fractography. The results show that the strength of the joint between the wear‐resistant tool steel and the low‐alloy carbon steel increases as the pressure increases up to a certain point, after which a decrease is observed. The highest joint strength is achieved at a pressure of 360 MPa. The microhardness profile measurement reveals a distinct transition zone at the interface between the two materials, with varying hardness values. The hardness of the low‐alloy carbon steel increases near the interface, while that of the wear‐resistant tool steel decreases. This transition zone is found to be narrower at higher pressures. Microstructural characterization shows that the grain structure near the interface differs from that of the starting base materials.
Pre‐oxidized Recycled MgO–Steel Composite Material for Possible Application in Cryolitic Melts
Authors: Yaroshevskyi Serhii , Brachhold Nora , Malczyk Piotr , Gehre Patrick , Aneziris Christos G.
Published: October 2024

Recycled MgO–C lining bricks and 316L stainless steel are used to manufacture composite material for inert anode samples for aluminum electrolysis cell. The microstructure of the composite material is characterized after preoxidation thermal treatments at 800, 900, and 1000 °C as well as in its sintered state. Preoxidation (PO) process is designed to enhance the material's corrosion resistance in molten cryolite environments by developing robust Fe–Mg–O, Fe–Cr–O‐ containing phases. Analytical techniques including scanning electron microscopy, electron backscatter diffraction, and energy dispersive X‐ray spectrometry are applied to characterize the phase formation, revealing the potential of these composites for use as inert anodes in aluminum electrolysis cells. PO at 800 °C is not sufficient to form adequate protective oxide layers. Whereas, PO at 900 and 1000 °C leads to the formation of protective oxide layers containing Mg–O Fe–O halite‐like solid solutions and (Cr,Fe)3O4 spinel phase. Sample, preoxidized at 1000 °C is sealed in Mg–Fe–O spinel phase.
Study on Hot‐Compressive Deformation Behavior and Microstructure Evolution of 12Cr10Co3MoWVNbNB Martensitic Steel
Authors: Wang Yuqi , Huang Yao , Yu Shan , Yang Chengkun , Zhang Hexin , Zhao Chengzhi
Published: October 2024

Herein, to improve the microstructure homogeneity of 12Cr10Co3MoWVNbNB steel for turbine blades after forging, the hot deformation behavior and microstructure evolution of the steel are systematically investigated using a hot‐compression experimental setup under the conditions of 950–1150 °C and strain rate of 0.001–10 s−1. A strain‐compensated constitutive equation is established based on the flow curves and the accuracy of its prediction is verified. By combining hot processing map with microstructure observation, the optimal hot processing window is determined to be 1075–1150 °C and 1–10 s−1, within which the grain size can be refined to 14.24 μm. Electron backscatter diffraction is employed to investigate the microstructural evolution and dynamic recrystallization (DRX) nucleation mechanism of the deformed samples, revealing that discontinuous DRX characterized by strain‐induced grain‐boundary migration is the dominant nucleation mechanism. Additionally, the deformation conditions significantly affect the distribution of dislocation density and local misorientation, as well as the transition from low‐angle grain boundaries to high‐angle grain boundaries, which ultimately lead to the differences in DRX fraction and microstructure.
Preparation of Oxidized Pellets of Vanadium Titanium Magnetite and Direct Reduction Behavior in Hydrogen‐Based Shaft Furnace
Authors: Tang Jue , Chu Mansheng , Feng Jinge , Zhao Zichuan , Tian Hongyu
Published: October 2024

Herein, the optimized process parameters for the preparation of vanadium‐titanium magnetite (VTM) pellets are determined, and an efficient and green utilization technology for VTM based on the integration of oxidation roasting‐hydrogen‐based shaft furnace direct reduction is established. The results indicate that the preferable VTM oxidized and pre‐reduced pellets can be prepared by preheating at 925 °C for 18 min and roasting at 1200 °C for 25 min, followed by the reduction temperature of 1050 °C at the reduction atmosphere of 4% CO2 and H2/CO = 8. The corresponding compressive strength of the preheated and roasted pellets is 516 N per pellet and 2028 N per pellet, respectively. In addition, the LTD+6.3 and LTDUP of roasted pellets are 80.86% and 93.90%, and the corresponding reducibility index, reduction swelling index, and the reduction sticking index are 0.0428, 2.32%, and 2.50%, respectively. All of which meet the production requirements of hydrogen‐based shaft furnace.
The effect of auriculotherapy on anxiety in older adult candidates for coronary angiography: A randomized controlled trial
Authors: Mortazavi Hamed , Zeinali Najmeh , Alesheikh Peiman , Shahri Bahram , Armat Mohammad Reza , Akbari Hadi
Published: October 2024

Introduction

Coronary angiography is an effective but anxiety‐provoking procedure in the diagnosis and treatment of many cardiovascular diseases. Anxiety could complicate cardiovascular conditions of older adults and be detrimental to treatment procedures. The current study aimed to examine the effect of auriculotherapy on the anxiety of older adult candidates for coronary angiography.

Method

The study was a randomized controlled trial with a pretest–posttest design. The sample consisted of 94 male and female older adults that were randomly assigned to three groups: the auriculotherapy group with magnetized pellets, the auriculotherapy group with nonmagnetized pellets, and the control group. The collected data were analyzed using analysis of covariance.

Results

The results showed that auriculotherapy either with magnetized or nonmagnetized pellets would lead to a statistically significant reduction in state and trait anxiety of coronary angiography candidates.

Conclusion

Auriculotherapy could be considered an adjunct or stand‐alone nonpharmacological method for lowering anxiety before coronary angiography in older adults.
Artificial intelligence in assessing cardiovascular diseases and risk factors via retinal fundus images: A review of the last decade
Authors: Abdollahi Mirsaeed , Jafarizadeh Ali , Ghafouri‐Asbagh Amirhosein , Sobhi Navid , Pourmoghtader Keysan , Pedrammehr Siamak , Asadi Houshyar , Tan Ru‐San , Alizadehsani Roohallah , Acharya U. Rajendra
Published: October 2024

Cardiovascular diseases (CVDs) are the leading cause of death globally. The use of artificial intelligence (AI) methods—in particular, deep learning (DL)—has been on the rise lately for the analysis of different CVD‐related topics. The use of fundus images and optical coherence tomography angiography (OCTA) in the diagnosis of retinal diseases has also been extensively studied. To better understand heart function and anticipate changes based on microvascular characteristics and function, researchers are currently exploring the integration of AI with noninvasive retinal scanning. There is great potential to reduce the number of cardiovascular events and the financial strain on healthcare systems by utilizing AI‐assisted early detection and prediction of cardiovascular diseases on a large scale. A comprehensive search was conducted across various databases, including PubMed, Medline, Google Scholar, Scopus, Web of Sciences, IEEE Xplore, and ACM Digital Library, using specific keywords related to cardiovascular diseases and AI. The study included 87 English‐language publications selected for relevance, and additional references were considered. This article provides an overview of the recent developments and difficulties in using AI and retinal imaging to diagnose cardiovascular diseases. It provides insights for further exploration in this field. Researchers are trying to develop precise disease prognosis patterns in response to the aging population and the growing global burden of CVD. AI and DL are revolutionizing healthcare by potentially diagnosing multiple CVDs from a single retinal image. However, swifter adoption of these technologies in healthcare systems is required.

This article is categorized under:

Application Areas > Health Care

Technologies > Artificial Intelligence
Photoelectrochemical Response of Tin Iodide Phosphide (SnIP) Composites with MoSe2, MoS2, and h‐BN
Authors: Degg Annabelle , Vosseler Kathrin , Kumar Navneet , Chaulagain Narendra , Pielmeier Markus R. P. , Nilges Tom , Shankar Karthik
Published: October 2024

For a future world fuelled by green energy it is invaluable to develop, test and maximise the catalytic efficiency of new effective water‐splitting materials. In this paper, we further explore the catalytic activity of double‐helical tin iodide phosphide (SnIP), as it features bandgaps in the ideal region for this process. We found that its photoelectrochemical response can be multiplied by forming composites of SnIP with selected 2D materials, focusing on hexagonal boron nitride and the transition metal dichalcogenides (TMDs) MoSe2 and MoS2. These nanocomposites were analysed with Powder‐X‐ray diffraction (P‐XRD), Raman, and UV/VIS bandgap determination. Their photo activity was assessed under simulated solar light through chrono amperometry and linear sweep voltammetry (CA, LSV). The high anisotropy of the involved materials enables efficient charge separation at the 1D/2D interfaces, increasing photoelectrochemical response four‐fold.
Non-holomorphic modular forms from zeta generators
Authors: Dorigoni Daniele , Doroudiani Mehregan , Drewitt Joshua , Hidding Martijn , Kleinschmidt Axel , Schlotterer Oliver , Schneps Leila , Verbeek Bram
Published: October 2024

Abstract

We study non-holomorphic modular forms built from iterated integrals of holomorphic modular forms for SL(2, ℤ) known as equivariant iterated Eisenstein integrals. A special subclass of them furnishes an equivalent description of the modular graph forms appearing in the low-energy expansion of string amplitudes at genus one. Notably the Fourier expansion of modular graph forms contains single-valued multiple zeta values. We deduce the appearance of products and higher-depth instances of multiple zeta values in equivariant iterated Eisenstein integrals, and ultimately modular graph forms, from the appearance of simpler odd Riemann zeta values. This analysis relies on so-called zeta generators which act on certain non-commutative variables in the generating series of the iterated integrals. From an extension of these non-commutative variables we incorporate iterated integrals involving holomorphic cusp forms into our setup and use them to construct the modular completion of triple Eisenstein integrals. Our work represents a fully explicit realisation of the modular graph forms within Brown’s framework of equivariant iterated Eisenstein integrals and reveals structural analogies between single-valued period functions appearing in genus zero and one string amplitudes.
Algebras and Hilbert spaces from gravitational path integrals. Understanding Ryu-Takayanagi/HRT as entropy without AdS/CFT
Authors: Colafranceschi Eugenia , Dong Xi , Marolf Donald , Wang Zhencheng
Published: October 2024

Abstract

Recent works by Chandrasekaran, Penington, and Witten have shown in various special contexts that the quantum-corrected Ryu-Takayanagi (RT) entropy (or its covariant Hubeny-Rangamani-Takayanagi (HRT) generalization) can be understood as computing an entropy on an algebra of bulk observables. These arguments do not rely on the existence of a local holographic dual field theory. We show that analogous-but-stronger results hold in any UV-completion of asymptotically anti-de Sitter quantum gravity with a Euclidean path integral satisfying a simple and (largely) familiar set of axioms. We consider a quantum context in which a standard Lorentz-signature classical bulk limit would have Cauchy slices with asymptotic boundaries BL ⊔ BR where both BL and BR are compact manifolds without boundary. Our main result is then that (the UV-completion of) the quantum gravity path integral defines type I von Neumann algebras $$ {\mathcal{A}}_L^{B_L} $$

A
L

B
L

, $$ {\mathcal{A}}_R^{B_R} $$

A
R

B
R

of observables acting respectively at BL, BR such that $$ {\mathcal{A}}_L^{B_L} $$

A
L

B
L

, $$ {\mathcal{A}}_R^{B_R} $$

A
R

B
R

are commutants. The path integral also defines entropies on $$ {\mathcal{A}}_L^{B_L} $$

A
L

B
L

, $$ {\mathcal{A}}_R^{B_R} $$

A
R

B
R

. Positivity of the Hilbert space inner product then turns out to require the entropy of any projection operator to be quantized in the form ln N for some N ∈ ℤ+ (unless it is infinite). As a result, our entropies can be written in terms of standard density matrices and standard Hilbert space traces. Furthermore, in appropriate semiclassical limits our entropies are computed by the RT-formula with quantum corrections. Our work thus provides a Hilbert space interpretation of the Ryu-Takayanagi entropy. Since our axioms do not severely constrain UV bulk structures, it is plausible that they hold equally well for successful formulations of string field theory, spin-foam models, or any other approach to constructing a UV-complete theory of gravity.
What if string theory has a de Sitter excited state?
Authors: Chakravarty Joydeep , Dasgupta Keshav
Published: October 2024

Abstract

We propose precise effective field theory criteria to obtain a four-dimensional de Sitter space within M-theory. To this effect, starting with the state space described by the action of metric perturbations, fluxes etc over the supersymmetric Minkowski vacuum in eleven-dimensions, we discuss the most general low energy effective action in terms of the eleven-dimensional fields including non-perturbative and non-local terms. Given this, our criteria to obtain a valid four-dimensional de Sitter solution at far IR involve satisfying the Schwinger-Dyson equations of the associated path integral, as well as obeying positivity constraints on the dual IIA string coupling and its time derivative. For excited states, the Schwinger-Dyson equations imply an effective emergent potential different from the original potential. We show that while vacuum solutions and arbitrary coherent states fail to satisfy these criteria, a specific class of excited states called the Glauber-Sudarshan states obey them. Using the resurgent structure of observables computed using the path integral over the Glauber-Sudarshan states, four-dimensional de Sitter in the flat slicing can be constructed using a Glauber-Sudarshan state in M-theory.

Among other novel results, we discuss the smallness of the positive cosmological constant, including the curious case where the cosmological constant is very slowly varying with time. We also discuss the resolution of identity with the Glauber-Sudarshan states, generation and the convergence properties of the non-perturbative and the non-local effects, the problems with the static patch and other related topics. We analyze briefly the issues related to the compatibility of the Wilsonian effective action with Borel resummations and discuss how they influence the effective field theory description in a four-dimensional de Sitter space.
Scalarization of Taub-NUT black holes in extended scalar-tensor-Gauss-Bonnet theory
Authors: Liu Hai-Shan , Zhang Lei
Published: October 2024

Abstract

Recently, the scalarization of the Schwarzschild black hole has been extensively studied. In this work, we explore the scalarization of the Taub-NUT black hole within the context of the extended scalar-tensor-Gauss-Bonnet theory, which admits a Ricci-flat Taub-NUT black hole as a solution. We carried out an analysis of the probe scalar field to identify the mass parameter and NUT parameter (m, n) where hairy black holes begin to emerge. Subsequently, we used the shooting method to construct the scalarized Taub-NUT black hole numerically. Unlike the Schwarzschild case, there are two branches of new hairy black holes that are smoothly connected. We calculated the entropy of the scalarized black holes and compared these entropies with those of scalar-free Taub-NUT black holes, finding that the entropies of the new hairy black holes are larger. A novel phenomenon emerges in this system: the entropy of the black holes at the bifurcation point is constant for a positive mass parameter. We then conjecture a maximal entropy bound for all scalarized black holes whose mass parameter at the bifurcation point is greater than zero.
Lorentz invariants in particle-wave mechanical systems
Authors: Hill James M.
Published: October 2024

In these notes we detail a number of new results involving the Lorentz invariants associated with the special relativistic extension of Newton’s second law proposed in [10] and not included in that text. We first summarise existing results for the two Lorentz invariants $$\xi $$
ξ
and $$\eta $$
η
and the angle $$\theta $$
θ
which is the angle in which Lorentz invariance appears as a translational invariance. We then determine new integral formulae involving these quantities and a new relationship which connects the applied forces with the same invariances. This latter relation turns out to be equivalent to the partial differential equation arising from the invariance of the velocity equation $$\textrm{d}x/\textrm{d}t = u(x, t)$$

d
x
/
d
t
=
u
(
x
,
t
)

under a Lorentz transformation. We then provide some specific examples which confirm the validity of the new relation connecting the applied forces with the invariances.
Volumentherapie – welches Präparat in welcher Situation?
Authors: Mayerhöfer Timo , Lehner Georg F. , Joannidis Michael
Published: October 2024

Die gängigen zur Volumentherapie verwendeten Lösungen sind Kristalloide und Kolloide. Kristalloide lassen sich in 0,9 % Natriumchlorid (NaCl) und balancierte Kristalloide (BK) unterteilen. Kolloide können in künstliche/artifizielle Kolloide und Humanalbumin (als natürliches Kolloid) unterteilt werden. Große Studien konnten Vorteile von BK gegenüber 0,9 % NaCl in Bezug auf renale Endpunkte zeigen, was vor allem durch den unphysiologisch hohen Chloridgehalt in 0,9 % NaCl bedingt sein dürfte. Weitere Studien wie BaSICS und PLUS Trial zeigten an einem heterogenen Kollektiv keine signifikanten Unterschiede in der Mortalität. Jedoch deuten Metaanalysen auf Vorteile der BK hin. Insbesondere bei Patient:innen mit erhöhtem Risiko für eine akute Nierenschädigung, Azidose und/oder Hyperchlorämie sollten daher primär BK verwendet werden. Außer für spezielle Indikationen, so etwa bei Patient:innen mit Leberzirrhose oder „resuscitation“ in der Sepsis nach initialer Volumentherapie mit BK, sollte Albumin nicht eingesetzt werden. Andere, artifizielle, Kolloide sollten mit Zurückhaltung verabreicht werden. Für Hydroxyethylstärke gibt es eindeutige Schädigungssignale bei Intensivpatient:innen.
Sulfide and Fe-Ti-P liquid immiscibility in the Ni-Cu-Co ovoid deposit of the Voisey’s Bay complex, Labrador, Canada
Authors: Caruso Stefano , Vaillant Margaux Le , Barnes Stephen J. , Virtanen Ville J. , Iacono-Marziano Giada
Published: October 2024

In the Voisey’s Bay complex, sulfide-matrix breccias developed through the percolation of dense sulfide melt, leading to the displacement of the silicate melt within partially molten silicate-matrix breccias. In these sulfide matrix-breccias, hydrous silicate rims are commonly present at the interface between the sulfide matrix and the silicate framework. Multiple lines of evidence support a magmatic origin of these hornblende-biotite rims, which was largely coeval with the emplacement of the sulfide melt in the magmatic breccias. The formation of the hornblende-biotite rims required the addition of alkalis and water that could not have entirely been sourced from either the sulfide melt or the silicate framework. Through the integration of compositional maps with major and trace element analyses of the main accessory minerals, we propose that the critical components required for the development of the hydrous silicate rims in sulfide-matrix breccias originated from an immiscible Fe-Ti-P melt. Distinct textural and compositional features of apatite, hercynite, ilmenite and magnetite support the presence of small amounts of Fe-Ti-P melt in the sulfide melt. This Fe-Ti-P melt likely formed through melt immiscibility in the early stages of the development of the Voisey’s Bay complex, and was transported in the magma conduits together with the sulfide melt.
A frequency-dependent model for bone remodeling using a micromorphic porous medium subjected to harmonic mechanical loading
Authors: Lu Yanfei
Published: October 2024

In this paper, the bone tissue was modeled as a linear viscoelastic material saturated with interstitial fluid. We considered a specific case of harmonic loading and related the mechanical stimuli to the loading frequency. In this way, we could include the inertial effect in the model while not having to deal with the perturbation during each loading period. Two types of mechanical signals were considered: strain energy and dissipation energy. A parametric study revealed the dependency of the two signals on loading frequency and material property. The evolution of the apparent mass density supported the parametric study’s findings. Under the three different frequency loadings, the strain energy-stimulated samples experienced identical remodeling scenarios. The samples stimulated with dissipation energy, on the other hand, exhibited a strong frequency dependence. An additional study was performed to investigate the effect of long-term variations in the loading frequency on the remodeling process. This demonstrated the model’s capabilities in designing and evaluating load regimes for rehabilitation following a bone injury or bone reconstruction.
Does private education pay off?
Authors: Rodríguez-Pose Andrés , Henry de Frahan Rosalie
Published: October 2024

Education plays a crucial role in promoting innovation, entrepreneurship, and equal opportunities in society, acting as a “social elevator.” However, an inequitable educational system can perpetuate inequalities, leading to significant social consequences. This paper examines two mechanisms through which schooling systems may generate or reinforce inequalities: private schooling and school composition. Earlier studies often suggested that private schooling, particularly government-dependent private schools, had a positive impact on student achievement. However, more recent research has challenged this view, highlighting the importance of contextual factors such as school composition and socio-economic background. Building on these findings, our analysis explores how the advantages attributed to private schools are shaped by the demographic profiles of their students. Using data from the OECD Program for International Student Assessment (PISA) 2015 and employing an education production function, we assess the effects of private schooling and school composition on student performance. Our findings contribute to the growing body of research questioning the comparative advantage of private schools, demonstrating that their perceived superiority often arises from the socio-economic advantages of the students they enroll, rather than the quality of education provided. The study also reveals significant variations across countries, underscoring the urgent need to address the segregation issues linked to private school networks.
Exploring the Branching Pattern of the Posterior Division of the Internal Iliac Artery: An Analysis Based on 75 Computed Tomography Angiographies
Authors: Hajdyła Paweł , Ostrowski Patryk , Bonczar Michał , Gliwa Jakub , Nasser Ameen , Shafarenko Kyrylo , Wojciechowski Wadim , Walocha Jerzy , Koziej Mateusz
Published: October 2024

Introduction and Hypothesis

The internal iliac artery stands as the main blood supplier of the pelvis, serving as the primary source of blood for the pelvic viscera while also nourishing the musculoskeletal framework within. The arterial anatomy of the pelvis exhibits a vast array of variations, especially regarding the branching pattern of the internal iliac arteries. The posterior division of the internal iliac artery (PDIIA) may also have variable topography, especially regarding the location of its origin in the pelvic region.

Methods

A retrospective study was carried out to determine the anatomical variations, prevalence, and morphometric data of the PDIIA and its branches. A total of 75 computed tomography angiographies were analyzed.

Results

The most prevalent branch of the PDIIA was the superior gluteal artery, as it was present in 114 of the studied cases (77.03%). The median diameter of the PDIIA at its origin was 6.66 mm. The median cross-sectional area of the PDIIA at its origin was set to be 34.59 mm2.

Conclusion

Our study highlights the critical significance of understanding the PDIIA and its branches in surgical interventions aimed at managing pelvic hemorrhage. The present study provides valuable insights into the precise localization and characteristics of the PDIIA and its branches, which are essential for surgical procedures targeting specific vessels to control bleeding effectively. Owing to the high level of variability of the branching pattern of the PDIIA, a novel classification system consisting of six types was created.
Use of Cyrene™, as an alternative to dimethyl sulfoxide, as a diluent for Melatonin to determine its in vitro antimicrobial capacity
Authors: Muñoz-Jurado Ana , Jurado-Martos Francisco , Agüera Eduardo , Túnez Isaac , Escribano Begoña M.
Published: October 2024

Melatonin (MLT) is a methoxyindole that has potent antioxidant actions, anti-inflammatory, and antiapoptotic capacity. However, its in vitro antibacterial capacity has been the least studied of its properties. Dimethylsulfoxide (DMSO) has been the most used solvent for these tests, but it shows an antimicrobial effect if it is not dissolved. Cyrene™ is a new solvent that has emerged as an alternative to DMSO. Therefore, this study aimed to determine the antimicrobial capacity of MLT by MIC assays, using Cyrene™ as a solvent. Likewise, the solubility of MLT in this solvent and whether it exerted any effect on bacterial growth at different percentages was also determined. Different dilutions of MLT in Cyrene™ with different concentrations, were prepared. No growth inhibition caused by MLT was observed. The growth inhibition observed was because of Cyrene™. The maximum amount of MLT that can be diluted in 100% Cyrene is 10 mg/mL, but this percentage of solvent shows a bactericidal effect. Therefore, it must be dissolved at 5% to avoid this effect, so only 4 mg/mL of MLT can be diluted in it. Therefore, if no other solvents are available, the in vitro antibacterial role of MLT cannot be adequately assessed.
Conjugation of visual enhancers in lateral flow immunoassay for rapid forensic analysis: A critical review
Authors: Dede Maria , van Dam Annemieke
Published: October 2024

During crime scene investigations, numerous traces are secured and may be used as evidence for the evaluation of source and/or activity level propositions. The rapid chemical analysis of a biological trace enables the identification of body fluids and can provide significant donor profiling information, including age, sex, drug abuse, and lifestyle. Such information can be used to provide new leads, exclude from, or restrict the list of possible suspects during the investigative phase. This paper reviews the state-of-the-art labelling techniques to identify the most suitable visual enhancer to be implemented in a lateral flow immunoassay setup for the purpose of trace identification and/or donor profiling. Upon comparison, and with reference to the strengths and limitations of each label, the simplistic one-step analysis of noncompetitive lateral flow immunoassay (LFA) together with the implementation of carbon nanoparticles (CNPs) as visual enhancers is proposed for a sensitive, accurate, and reproducible in situ trace analysis. This approach is versatile and stable over different environmental conditions and external stimuli. The findings of the present comparative analysis may have important implications for future forensic practice. The selection of an appropriate enhancer is crucial for a well-designed LFA that can be implemented at the crime scene for a time- and cost-efficient investigation.
Collision cross sections of large positive fullerene molecular ions and their use as ion mobility calibrants in trapped ion mobility mass spectrometry
Authors: Oppenländer Tobias , Gross Jürgen H.
Published: October 2024

Positive-ion laser desorption/ionization (LDI) of fullerenes contained in soot as produced by the Krätschmer-Huffman process delivers a wide range of fullerene molecular ions from C56+• to above C300+•. Here, the collision cross section (CCS) values of those fullerene molecular ions are determined using a trapped ion mobility-quadrupole-time-of-flight (TIMS-Q-TOF) instrument. While CCS values in the range from C60+• to C96+• are already known with high accuracy, those of ions from C98+• onward had yet to be determined. The fullerene molecular ions covered in this work have CCS values from about 200 to 440 Å2. The fullerene molecular ion series is evenly spaced at C2 differences in composition, and thus, small CCS differences of just 2.2–3.5 Å2 were determined across the entire range. Fullerene M+• ions may be employed as mobility calibrants, in particular, when very narrow 1/K0 ranges are being analyzed to achieve high TIMS resolving power. In addition, due to the simple elemental composition, M+• ions of fullerenes could also serve for mass calibration. This study describes the determination of CCS values of fullerene molecular ions from C56+• to C240+• and the application of ions from C56+• to C220+• to calibrate the ion mobility scale of a Bruker timsTOFflex instrument in any combination of LDI, matrix-assisted laser desorption/ionization (MALDI), and electrospray ionization (ESI) modes in the CCS range from about 200 to 420 Å2. This use was exemplified along with ions from Agilent Tune Mix, leucine-enkephalin, angiotensin I, angiotensin II, and substance P.

Graphical Abstract
Phyllosphere of Agathis australis Leaves and the Impact of the Soil-Borne Pathogen Phytophthora agathidicida
Authors: Murray Maisie Leigh Hamilton , Dopheide Andrew , Leonard Jenny , Padamsee Mahajabeen , Schwendenmann Luitgard
Published: October 2024

Leaf surface microbial communities play an important role in forest ecosystems and are known to be affected by environmental and host conditions, including diseases impacting the host. Phytophthora agathidicida is a soil-borne pathogen that causes severe disease (kauri dieback) in one of New Zealand’s endemic trees, Agathis australis (kauri). This research characterised the microbial communities of the A. australis phyllosphere (i.e. leaf surface) using modern molecular techniques and explored the effects of P. agathidicida on those communities. Fresh leaves were collected from trees where P. agathidicida was and was not detected in the soil and characterisation of the leaf surface microbial community was carried out via high-throughput amplicon sequencing of the internal transcribed spacer (ITS) and 16S ribosomal RNA regions. Nutrients in leaf leachates were also measured to identify other possible drivers of microbial diversity. The dominant phyllosphere microbial phylum was Proteobacteria followed by Acidobacteria. The phyllosphere microbial richness of A. agathis associated with P. agathidicida-infected soils was found to be generally lower than where the pathogen was not detected for both prokaryote (bacterial) and fungal phyla. Leaf leachate pH as well as boron and silicon had significant associations with bacterial and fungal community structure. These findings contribute to the development of a comprehensive understanding of A. australis leaf surface microbial communities and the effects of the soil pathogen P. agathidicida on those communities.