bluuebunny/crossref_metadata_2025 huggingface dataset:
A 3D index for measuring economic resilience with application to modern financial crises
Authors: Tsiotas Dimitrios , Katsaiti Marina‐Selini
Published: October 2024

This paper proposes a vector index R composed of monotonous functions capturing three theoretical aspects (3D) of economic resilience (engineering, ecological, evolutionary) and performs an analysis of GDP data of 200 countries worldwide for the period 1960–2020 and 15 economic crises (shocks). The empirical analysis, first, reveals that economic resilience appears positively related to gross value added (GVA), employment, education, sectorial structure and diversification, agricultural production, tax revenue and natural resources, whereas it is negatively associated with urbanization degree, primary sector specialization and trade activity. Also, it shows that the global economy shifted to a less resilient performance through time, and it reveals the pros and cons of the continents' performance in economic resilience, highlighting a relative sensitivity of European countries against the available shocks and relatively higher resilience of Asian and African countries. Finally, the analysis of transition probabilities reveals the 2008 economic crisis as the only shock with significant transitions among different states of resilience, providing insights into the insignificant geographical scale of previous shocks in the global economy. Overall, in the complex conceptualization and measurement framework of economic resilience, the proposed 3D index contributes to a multilevel consideration of diverse theoretical aspects of this concept, provides empirical insights into the global economy's resilience and facilitates better management of economic resilience‘s computational complexity.
Contemporary outcomes of catheter ablation of the structural ventricular tachycardias in severe ischemic and non‐ischemic cardiomyopathies in Turkish population
Authors: Baskovski Emir , Altin Timucin , Akyurek Omer , Cunetoglu Mahmut Ekrem , Kozluca Volkan , Akbulut Irem Muge , Ozbeyaz Nail Burak , Serifler Nazli Turan , Tutar Eralp
Published: October 2024

Introduction

Currently, there are no data regarding outcomes of the catheter ablation for structural ventricular tachycardia (VT) in Türkiye. In this observational study, we aim to investigate cardiac outcomes of patients undergoing catheter VT ablation at a tertiary center in Türkiye.

Methods

This was a retrospective observational study performed at a single university center. Patients with a confirmed ischemic or non‐ischemic cardiomyopathy, undergoing structural VT ablation were included. Procedural and mid‐term outcomes were analyzed.

Results

A total of 124 patients were enrolled in the study. 54(43.5%) patients presented with an electrical storm. During the mean follow‐up of 351 ± 232 days 10(8.1%) patients experienced a recurrence. There was only one peri‐procedural death and cardiac tamponade occurred in two patients.14(11.3%) patients died during the follow‐up, most commonly due to a cardiovascular death. In the multivariate analysis only age >70 was found to be correlated with death during follow‐up, with p =.008, HR = 4.923.

Conclusion

A good acute success with low complications was observed in patients undergoing VT ablation for structural heart disease in a tertiary center in Türkiye. Mid‐term outcomes are comparable with international studies with no difference in VT recurrence in ischemic and non‐ischemic patients. Similar to international studies, significant mid‐term mortality was observed.
The lateral approach for total knee arthroplasty in valgus osteoarthritis provides similar clinical and radiological results compared with the medial approach
Authors: Alsalloum Maamoun , Alimy Assil‐Ramin , Hubert Jan , Rolvien Tim , Fink Bernd
Published: October 2024

Purpose

In total knee arthroplasty (TKA), valgus deformities require special approaches to achieve precise mechanical axis correction and joint stability. This study aimed to determine whether the lateral approach without tibial tubercle osteotomy allows mechanical axis correction in valgus knee osteoarthritis (OA), which is at least as effective as the medial approach, while also assessing whether it provides clinically comparable results and complications.

Methods

A total of 204 patients undergoing TKA for valgus knee OA were included in this retrospective comparative study, with 131 patients in the lateral approach group and 73 patients in the medial approach group. The surgical goal was to achieve stability with a neutral axis based on mechanical alignment. Detailed pre‐ and postoperative clinical and radiographic data were obtained, including measurements of the hip–knee–ankle angle (HKAA) and patella tilt angle. Functional status was determined based on the Oxford Knee Score (OKS). Age, body mass index, sex and preoperative HKAA were adjusted between both groups using propensity score matching (n = 45 per group).

Results

In the propensity score‐matched cohort, the postoperative HKAA did not show differences when comparing the lateral and the medial approach at a mean follow‐up of 19.7 months (p = 0.385). The achieved correction of the patella tilt angle was higher in the lateral approach group in the overall (p < 0.001) and matched cohort (p < 0.001). No differences were detected regarding the postoperative OKS and complications. However, wound healing disorders showed a tendency to be more prevalent in patients who underwent the lateral approach in the overall cohort (6.1%, n = 8 vs. 0.0%, n = 0, p = 0.053) but not in the propensity score‐matched cohort (p = 0.494).

Conclusion

This study demonstrated that for pronounced valgus OA, the lateral approach achieves favourable results in HKAA correction, patellar tilt and complications comparable to the medial approach. However, the risk of wound healing disorders appears higher with severe valgus deformity.

Level of Evidence

Level III therapeutic study.
Mutual Interactions of Silymarin and Colon Microbiota in Healthy Young and Healthy Elder Subjects
Authors: Tomisova Katerina , Jarosova Veronika , Marsik Petr , Bergo Anna Mascellani , Cinek Ondrej , Hlinakova Lucie , Kloucek Pavel , Janousek Vaclav , Valentová Kateřina , Havlik Jaroslav
Published: October 2024

Scope

This multi‐omic study investigates the bidirectional interactions between gut microbiota and silymarin metabolism, highlighting the differential effects across various age groups. Silymarin, the extract from Silybum marianum (milk thistle), is commonly used for its hepatoprotective effects.

Methods and results

An in vitro fermentation colon model was used with microbiota from 20 stool samples obtained from healthy donors divided into two age groups. A combination of three analytical advanced techniques, namely proton nuclear magnetic resonance (1H NMR), next‐generation sequencing (NGS), and liquid chromatography–mass spectrometry (LC‐MS) was used to determine silymarin microbial metabolites over 24 h, overall metabolome, and microbiota composition. Silymarin at a low diet‐relevant dose of 50 µg mL−1 significantly altered gut microbiota metabolism, reducing short‐chain fatty acid (acetate, butyrate, propionate) production, glucose utilization, and increasing alpha‐diversity. Notably, the study reveals age‐related differences in silymarin catabolism. Healthy elderly donors (70–80 years) exhibited a significant increase in a specific catabolite associated with Oscillibacter sp., whereas healthy young donors (12–45 years) showed a faster breakdown of silymarin components, particularly isosilybin B, which is associated with higher abundance of Faecalibacterium and Erysipelotrichaceae UCG‐003.

Conclusion

This study provides insights into microbiome functionality in metabolizing dietary flavonolignans, highlighting implications for age‐specific nutritional strategies, and advancing our understanding of dietary (poly)phenol metabolism.
NMR Relaxometry to Monitor In Situ the Loading of Amberlite IR120 and Dowex Marathon MSC Resins With Ni2+ and Cu2+ During a Column Experiment
Authors: Bernardi Marie , de Oliveira Silva Rodrigo , Vuong Quoc Lam , Sakellariou Dimitrios , Gossuin Yves
Published: October 2024

The removal of heavy metal ions from wastewater often necessitates the use of ion exchange resins. Current methods for assessing ion exchange efficiency are indirect and destructive. Some heavy metal ions, such as Cu2+ and Ni2+, are paramagnetic and influence the NMR relaxation times of water protons. NMR relaxometry can therefore be utilized to track the removal of these ions by ion exchange resins. In this study, we use relaxometry to monitor in situ the loading with Ni2+ and Cu2+ of Amberlite IR120 and Dowex Marathon MSC resins, with the resin column inserted into a low‐field NMR device. The multiexponential transverse relaxation curves were fitted using a biexponential model. Before and during the loading of the resin, the water with the slowest relaxation corresponds to treated water (free of Ni2+ or Cu2+) flowing between the resin beads. After saturation, the slowest fraction corresponds to the untreated solution (containing Ni2+ or Cu2+) flowing between the resin beads saturated with paramagnetic ions. The evolution with time of the transverse relaxation rate and the amplitude of the slowly relaxing water fraction shows a clear transition, occurring later at the bottom of the resin bed compared with the middle and top. This is interpreted as an indication of the saturation of the studied zone with paramagnetic ions, confirmed by the quantification of Ni2+ or Cu2+ in the effluent using AES spectroscopy. This proof‐of‐concept study demonstrates that NMR relaxometry can be used in situ to monitor the loading of a resin bed with paramagnetic ions.
Mechanical, Thermal, and Electrical Characterization of Polyethylene Glycol and PDI‐Based Polyurethane Films for Durable Antistatic Applications
Authors: Zia Abid , Nawaz Faisal , Farooq Aroosa , khan Musammir
Published: October 2024

Polyurethanes (PUs) are emerging materials, but the inferior mechanical strength, low thermal stability, poor solvent‐resistant ability and non‐conductive nature has limited their applications for advanced technology. The PU elastomer films based on polyethylene glycol (PEG) and 1,4‐phenyl diisocyanate (PDI) was prepared by step‐growth polymerization and curing method using different weight ratios of PDI (0.5, 1, 1.5, 2) at constant PEG weight content (1). The obtained PU films were tested for solvent‐resistant properties in both water and dichloromethane (DCM), which showed higher swelling ratios (SRs) and mass loss (%) in water confirming their improved stability in DCM. All the PU films exhibited amorphous characteristics and thermal stability until 403°C. The tensile strength, Young's modulus, and toughness was linearly increased from 2.83 to 25 ± 1 MPa, from 66 ± 2 to 868 ± 57 MPa and from 6.1 to 33.87 mJ/mm3, respectively, while elongation at break was reduced from 1323% to 291% with increasing PDI weight ratio from 0.5 to 2.0. The addition of different pyrrole (Py) amount from 4 to 12 mg to the PU film (PDI/PEG ≈ 1:1) has shown negative effect on the mechanical strength at higher Py content, while the surface resistivity (ρs) was decreased from 5.30 × 108 to 2.5 × 108 Ω/sq. of the hybrid films with percolation threshold at ~4–8 wt.% Py loading. Therefore, the obtained PU/Py‐films with appropriate amount of Py have good solvent‐resistant ability, mechanical strength, thermal stability and antistatic properties, thus making them promising antistatic materials for future electronic and industrial applications.
Thermo‐mechanical performance of oil palm/bamboo fiber reinforced bio epoxy hybrid composites
Authors: Awad Sameer A. , Jawaid Mohammad , Fouad Hassan , Khalaf Eman M. , Sain Mohini
Published: October 2024

The aim of this work to fabricate bamboo (B)/oil palm (O) fibers based biocomposites to assess mechanical, thermal and morphological properties. Flexural strength and modulus of hybrid biocomposite (7B:3O) exhibited a higher value (71.18 MPa and 5.24GPa) respectively among all biocomposite samples. On the other hand, pure biocomposite (B) showed a higher impact strength value (6977.8 J/m2) compared to other biocomposites. The results of TGA showed that thermal stability was observed significantly for hybrid biocomposites compared to other samples. In addition, the maximum decomposition temperature values were displayed in the hybrid biocomposite (5B5O), which was 377.82°C. Through DMA, it was likely to find the storage modulus curves (E′), loss modulus (E″) and damping factor (tan δ) for the biocomposites. The E′ showed an increase in the (3736.84 MPa) contrasted to other corresponding samples which were 3121.81 MPa, and 3209.67 MPa for 3B7O MPa and 5B5O samples, respectively. Overall, the results of DMA displayed an enhancement in the storage modulus (E′) in terms of the hybrid biocomposites representing greater stiffness and lower damping factor. SEM micrographs were utilized to understand the fiber bonding and fiber adhesion with the epoxy matrix. Furthermore, it confirmed SEM results that hybrid natural fibers enhance the complete characterisations of bio‐epoxy materials. Additionally, SEM images of the tensile fracture surfaces discovered voids and cracks. Finally, it can be concluded that the selection for the developed hybrid biocomposites provides excellent and economical lightweight biomaterials for automotive, aerospace, contractions and building components.

Highlights

Green hybrid biocomposites by oil palm/bamboo fiber/bioepoxy resin.

Mechanical, thermal, DMA of hybrid composites carried out.

Hybrid biocomposite(7B:3O) exhibited higher flexural strength value (71.18 MPa).

TGA showed that the biocomposites are thermally further stable.

DMA displayed an enhancement in the storage modulus (E′).
Molecular and energetic analysis of the interaction and specificity of Maximin 3 with lipid membranes: In vitro and in silico assessments
Authors: Hernández‐Adame Pablo Luis , Bertrand Brandt , Escamilla‐Ruiz Martha Itzel , Ruiz‐García Jaime , Munoz‐Garay Carlos
Published: October 2024

In this study, the interaction of antimicrobial peptide Maximin 3 (Max3) with three different lipid bilayer models was investigated to gain insight into its mechanism of action and membrane specificity. Bilayer perturbation assays using liposome calcein leakage dose–response curves revealed that Max3 is a selective membrane‐active peptide. Dynamic light scattering recordings suggest that the peptide incorporates into the liposomal structure without producing a detergent effect. Langmuir monolayer compression assays confirmed the membrane inserting capacity of the peptide. Attenuated total reflection‐Fourier transform infrared spectroscopy showed that the fingerprint signals of lipid phospholipid hydrophilic head groups and hydrophobic acyl chains are altered due to Max3‐membrane interaction. On the other hand, all‐atom molecular dynamics simulations (MDS) of the initial interaction with the membrane surface corroborated peptide‐membrane selectivity. Peptide transmembrane MDS shed light on how the peptide differentially modifies lipid bilayer properties. Molecular mechanics Poisson–Boltzmann surface area calculations revealed a specific electrostatic interaction fingerprint of the peptide for each membrane model with which they were tested. The data generated from the in silico approach could account for some of the differences observed experimentally in the activity and selectivity of Max3.
Advanced consequence modeling and risk analysis
Authors: Currie John , Study Karen , Delanoy Paul , First Ken
Published: October 2024

When performing process hazard analysis (PHA), basic consequence evaluation methods are often sufficient. However, sometimes these approaches lead to overly conservative estimates, and we need to conduct more thorough dispersion modeling to refine the potential impact. This paper will evaluate different methods for determining the consequence severity of a potential release, starting with a basic approach, and ultimately using probit functions. Probit functions are used to predict the lethality of a potential release following acute inhalation exposure from a toxic release. Developing probits to use in modeling can be challenging, for obvious reasons. In the absence of human or animal toxicological data, estimates of “pseudo‐probits” can be used in lieu of values derived from toxicological data. The analysis makes use of the PHAST™ program that uses probits as part of its basic tool set. While probits are not new to the industry, this paper provides a simple method for estimating pseudo‐probits for materials that do not have readily available probit data.
The Interplay of Tobacco Farming and Tobacco Control: Exploring Socioeconomic and Health Dynamics in Malawi
Authors: Ngoma Chimwemwe , Lungu Sahan , Chidimbah Munthali George N. , Mwase Martha Shantel
Published: October 2024

Tobacco farming and tobacco control are closely inter‐related issues, particularly in developing countries that are heavily reliant on tobacco farming like Malawi. This commentary explores the relationship among tobacco farming, economic sustainability, and public health, focusing on the context of Malawi as one of the major tobacco producers in Africa. Malawi's economy is significantly dependent on tobacco farming, yet the country also struggles with smoking‐related health risks, creating a dilemma between socioeconomic and public health considerations. The commentary highlights the lack of empirical evidence regarding the socioeconomic implications of tobacco control measures on tobacco farming in the country. Moreover, despite the country's economic dependence on tobacco farming, a majority of cigarettes consumed domestically are imported, demonstrating the complexity of Malawi's tobacco industry. On public health implications, the article highlights the disease and death burden that is a result of tobacco smoking, underscoring the need for tobacco control measures. The article further draws insights from tobacco end‐game strategies in other countries and proposes a comprehensive approach to tobacco control. However, the article notes Malawi's limited financial resources and healthcare infrastructure to implement traditional tobacco control measures and highlights an emphasis on tobacco harm reduction, a third pillar of the Framework Convention on Tobacco Control. The article also advocates for an emphasis on alternative livelihood opportunities for smallholder tobacco farmers in Malawi.
Generation of Database of Polymer Acceptors and Machine Learning‐Assisted Screening of Efficient Candidates
Authors: Tahir Mudassir Hussain , Khan Naeem‐Ul‐Haq , Elhindi Khalid M.
Published: October 2024

This paper presents a comprehensive approach for designing polymer acceptors for organic photovoltaic applications through the generation of an extensive database and the application of machine learning (ML) techniques. Over 40 ML models are trained for the prediction of power conversion efficiency (PCE). Histgradient boosting regressor has appeared as best model. Almost 10 k polymers are generated and their PCE values are predicted. The chemical space of polymers has been visualized and analyzed. Cluster analysis revealed significant differences among the selected polymers. Additionally, an assessment of synthetic accessibility for these polymers indicated that the majority can be synthesized with relative ease.
Chemical and metabolic profiling of Amaryllidaceae alkaloids in the bulbs of Narcissus tazetta L. var. chinensis Roem using liquid chromatography–tandem mass spectrometry with data mining strategy
Authors: Huang Xinxin , Tan Ting , Luo Yun
Published: October 2024

Rationale

The bulbs of Narcissus tazetta L. var. chinensis Roem (BNTCR) has been used as an herbal medicine for the treatment of carbuncles in China. The previous phytochemical studies indicated that the main active components of BNTCR were Amarllidaceae alkaloids (AAs). However, the comprehensive chemical and metabolic profiling of AAs in BNTCR remains underexplored. Therefore, it is necessary to establish an accurate and rapid approach for chemical characterization and metabolic profiling of AAs in BNTCR.

Methods

The structural elucidation of natural products by ultra‐high performance liquid chromatography coupled to quadrupole time of flight tandem mass spectrometry (UHPLC‐QTOF‐MS/MS) with outstanding properties is still limited due to complex mixtures that contain hundreds of compounds. In this study, we employed UHPLC‐QTOF‐MS/MS with a data mining strategy, including diagnostic fragment ions (DFIs) and neutral loss (NL), for rapid classifying and identifying AAs in BNTCR and prototypes absorbed into the blood of mice after oral administration of BNTCR extract.

Results

As a result, 87 AAs, including 13 narciclasine type, 13 homolycorine type, 17 lycorine type, 12 galanthamine type, 25 haemanthamine type, and 7 tazettine type, were tentatively characterized (6 verified with authentic standards). In addition, a total of 44 prototypes were identified in mice plasma, urine, and fecal samples. Among them, 8 prototypes were found in plasma, 36 in urine, and 40 in feces, respectively. Lycorine, pseudolycorine, homolycorine, 8‐O‐demetylhomolycorine, and tazettine, as major AAs in BNTCR, were absorbed into the blood.

Conclusions

Our findings provided a crucial step for the elucidation of the active compounds in BNTCR for treatment of carbuncles. In the future, the developed strategy could also be applied for identifying AAs in other herbal medicines from Amarllidaceae.
Relay Switching–Based Event‐Triggered Finite‐Time Tracking Control for Nonholonomic Systems: Theory and Experiment
Authors: Bian Jinshan , Zhang Zhongcai , Gao Yang
Published: October 2024

This paper investigates the event‐triggered finite‐time trajectory tracking controller based on a type of chained‐form nonholonomic systems under unknown disturbances by utilizing relay switching technology. A key design idea is that the entire control design is grouped into two separated control stages to produce different finite‐time tracking controllers with correspondingly event‐triggered control rules. By using some nonlinear design methods, a relay switching–based event‐triggered finite‐time tracking control method is adopted to assure that the resulting closed‐loop tracking error system converges to an arbitrarily small neighborhood around zero within a finite time. All closed‐loop error system states keep bounded throughout the entire process. Simulation and experiment results demonstrate the rationality of the designed tracking control strategy.
Quantum–Chemical Study of the Photophysical Behavior of Mesogenic Europium(III) Complexes with β‐Diketones and Lewis Bases
Authors: Romanova Ksenia , Galyametdinov Yuriy
Published: October 2024

Metal‐containing liquid crystals such as Ln(III) complexes possess unique structural, liquid‐crystalline (LC), optical, and magnetic properties and represent modern cutting‐edge multifunctional materials. Application of mesogenic Ln(III) complexes is hindered by their nontrivial structure–property relationships. These relationships, in turn, depend on various factors, including insufficiently studied physicochemical processes. Although a proper Ln(III) element and the respective ligand environment are selected prior to synthesis of such complexes, the structural features of the coordination polyhedra, especially upon photoexcitation, are not uniquely defined. Therefore, this work focuses on the development of theoretical approaches to creating multifunctional materials represented by highly luminescent mesogenic Eu(III) complexes with β‐diketones and Lewis bases. The relationships between their structure, the parameters of Voronoi–Dirichlet polyhedra, the luminescence efficiency, and the LC properties were considered. The calculated excited states and intramolecular energy transfer rates were used to determine intramolecular energy transfer channels. The LC behavior of the studied materials was shown to mainly depend on the ligand environment, whereas their optical properties were found to be mostly governed by the coordination polyhedra.
The Adsorption and Sensing Characteristics of Metal‐Calix[4]Arenes Toward Hydrogen Molecule: Density Functional Theory, Perturbation Theory and Molecular Dynamics Approaches
Authors: Yuksel Numan , Fellah M. Ferdi
Published: October 2024

Calixarenes, which can be functionalized in a wide range of derivatives, are one of the chemicals that should be considered for safe energy storage. This research focused on utilization Density Functional Theory (DFT) method to investigate the hydrogen sensing and adsorption characteristics of two distinct calix[4]arene compounds and their corresponding metal complexes. In the study, electronic sensor properties were investigated by using different approaches. In addition, the dynamic stability was determined by Molecular dynamics (MD) calculations. Perturbation theory analysis has revealed the importance of the relationship between Fe and S atoms. The adsorption energy on the C1 structure with the best adsorption ability was calculated as −10.3 kJ/mol. According to RDG analysis, weak van der Waals interactions play a role in adsorption. The C2‐Fe complex with a substantial decrease in the HOMO–LUMO gap has been identified and explained as an applicant material for electronic sensor against hydrogen molecule. Moreover, it was also determined that the C2‐Fe complex has work function type gas sensor property against hydrogen molecule. According to the results, metal‐calixarene complexes can play an important role in hydrogen safety in the future.
Elucidating the E‐Cadherin⋯ADTC5 Interactions: A Theoretical Examination of Amino Acid Active Site Binding on the Electronic Level via Density Functional Theory
Authors: Siahaan Parsaoran , Royhansyah Moch Freskha Fauzi , Abid Muhammad Bahrul , Hudiyanti Dwi , Anam Khairul , Djunaidi Muhammad Cholid , Sethio Daniel , Anugrah Daru Seto Bagus , Sasongko Nurwarrohman Andre
Published: October 2024

The presence of E‐cadherin⋯E‐cadherin interactions in the intercellular space (paracellular pathway) poses a notable limitation in drug delivery across the blood‐brain barrier (BBB). ADTC5 peptide has shown promising results in improving drug delivery across the BBB by modulating E‐cadherin⋯E‐cadherin interactions. However, the study of E‐cadherin⋯ADTC5 amino acid interactions using quantum mechanics approach has not been observed clearly. Herein, we observed the interaction between E‐cadherin⋯ADTC5 amino acids using density functional theory (DFT). Natural bond orbital (NBO), quantum theory of atoms in molecules (QTAIM), and reduced density gradient (RDG) analysis are performed to study the non‐covalent interaction in detail. The Arg55⋯Asp2 shows the strongest interaction between E‐cadherin⋯ADTC5 modulation, indicated by the highest stabilization energy (E(2)), and hydrogen bonding energy (EHB) about 22.04 and −6.90 kcal/mol, respectively. This interaction is dominated by hydrogen bonding. Such advancements could lead to significant improvements in therapeutic strategies for neurodegenerative diseases, where effective drug delivery across the BBB remains a major challenge.
Effect of the Chemical Composition and Geometry of Nanotubes on the Structure and Internal Rotation Barrier of Encapsulated Ammonia‐Boron Trifluoride: A Theoretical Investigation
Authors: Kuznetsov Valerij V.
Published: October 2024

The study of the structure and conformational properties of ammonia–boron trifluoride in the cavity of 24 carbon and inorganic nanotubes using the PBE/3ζ DFT approximation showed that the conformational preference of the encapsulated molecule is determined by geometry and chemical composition of the host nanostructure. The combined effect of these factors leads to the predominance of eclipsed conformation of guest molecule for four endoclusters. In other cases, the main minimum on the potential energy surface corresponds to the staggered or pseudo‐staggered forms of BF3←NH3. The guest molecule carries the electric charge and has a shortened B←N bond. These conclusions are confirmed by the results of the virtual reaction of ammonia and boron trifluoride in the cavity of individual nanotubes.
Integrating management and sustainability literature: Comment on the paper by Gonçalves et al.
Authors: Zimmermann Nici
Published: October 2024

This commentary explores the integration of management and sustainability literature, using the work of Gonçalves et al. (2024) as a starting point. I situate their work within the broader context of literature that connects the management and sustainability fields, tracing historical developments and diverse perspectives. Key areas for further exploration include the fields' different levels of analysis, the commensurability of theoretical foundations, the balance between theoretical and applied research and the importance of interdisciplinary, transdisciplinary and systems approaches in advancing sustainability research and practice. The commentary serves as a starting point for further research aimed at supporting the transformative changes needed for a more sustainable society.
Stability Indicating High‐performance Liquid Chromatography Method for Quantification of Amoxapine and Characterization of Forced Degradation Products Employing Quadrupole‐Time of Flight Mass Spectrometry
Authors: Shaikh Eram , Bagul Manasi Ashok , Mukesh Anjali , Wankhade Shrutika , Mane Sayalee Sanjay , Shaji Anandhu Kunnath , Mohanraj Krishnapriya , Dengale Swapnil Jayant
Published: October 2024

Amoxapine, a tricyclic antidepressant, has been widely used for long‐term treatment of depression along with other psychiatric disorders involving neurosis, agitation, and anxiety. The drug may undergo degradation during manufacturing, transportation, and storage. To ensure drug safety, both identification and characterization of the degradation products (DPs) should be considered. Accordingly, a sensitive and selective stability‐indicating assay method was developed for amoxapine using high‐performance liquid chromatography (HPLC). The amoxapine drug was subjected to acidic hydrolysis, basic hydrolysis, and oxidation separately. The degradation susceptibility of the amoxapine was found to be in the order of Acid hydrolysis > Oxidation > Base hydrolysis. The developed method was validated as per the International Council for Harmonization Q2(R2) guideline. Further, LC‐electrospray ionization‐quadrupole‐time of flight‐tandem mass spectrometry was employed for the identification and characterization of the DPs formed under stress conditions. The study revealed that under accelerated stress conditions, three hydrolytic DPs and one oxidative DP were formed. Three of the four DPs were found to be novel and never reported before. In addition, a plausible mechanism representing the formation of all DPs has also been established.
Digital Humanities and Cultural Heritage in AI and IT-Enabled Environments
Authors: Breathnach Ciara , Margaria Tiziana
Published: October 2024

This track is the first output in Digital Humanities within AISoLA and, while its contributions span a range of diverse topics and approaches, it provides a good representation of the state of the art in the field, stemming from the interdisciplinary collaborations in the DBDIrl project and from the Great Leap COST Action that started in September 2023. It also underpins an ambitious research agenda arising from these collaborations, which aims to foster further international work on data interoperability.

The papers discuss the challenges faced by both computing and historical sciences when addressing on one side some of the most pressing issues of data access, preservation, conservation, harmonisation across national datasets, and governance, and on the other side the opportunities and threats brought by AI and machine learning to the advancement of reasoning, classification and rigorous data analytics.
Testing Bell inequalities and probing quantum entanglement at a muon collider
Authors: Ruzi Alim , Wu Youpeng , Ding Ran , Qian Sitian , Levin Andrew Micheal , Li Qiang
Published: October 2024

Abstract

A muon collider represents a promising candidate for the next generation of particle physics experiments after the expected end of LHC operations in the early 2040s. Rare or hard-to-detect processes at the LHC, such as the production of multiple gauge bosons, become accessible at a TeV muon collider. We present here the prospects of detecting quantum entanglement and the violation of Bell inequalities in H → ZZ → 4ℓ events at a potential future muon collider. We show that the spin density matrix of the Z boson pairs can be reconstructed using the kinematics of the charged leptons from the Z boson decays. Once the density matrix is determined, it is straightforward to obtain the expectation values of various Bell operators and test the quantum entanglement between the Z boson pair. Through a detailed study based on Monte-Carlo simulation, we show that the generalized CGLMP inequality can be maximally violated, and testing Bell inequalities could be established with high significance.
Exploring new constraints on Kähler moduli space of 6d $$ \mathcal{N} $$ = 1 supergravity
Authors: Kim Hee-Cheol , Vafa Cumrun
Published: October 2024

Abstract

We propose new constraints for 6d (1, 0) supergravity theories based on consistency conditions on the Kähler moduli spaces of their 5d reductions. The requirement that both the metric and the BPS string tensions in the Kähler moduli space are positive imposes specific restrictions on the Chern-Simons coefficients in the 5d effective Lagrangians that are derived from the Kaluza-Klein reductions of 6d theories. Moreover, the emergence of local interacting 5d CFTs when the moduli space metric degenerates introduces additional constraints coming from the analysis of 5d SCFTs. Focusing on the moduli spaces of 6d supergravity theories without a tensor multiplet and their Higgsings, we show that these constraints require the presence of certain primary states in the 2d worldvolume CFTs on 1/2 BPS strings. We specifically analyze a class of SU(2) models and infinite families of U(1) models using these constraints, and demonstrate that the theories featuring a 1-form symmetry in their massless spectra, unless the 1-form symmetry is gauged, fail to satisfy the constraints and therefore belong to the Swampland.
Degenerate higher-order Maxwell theories in flat space-time
Authors: Colléaux Aimeric , Langlois David , Noui Karim
Published: October 2024

Abstract

We consider, in Minkowski spacetime, higher-order Maxwell Lagrangians with terms quadratic in the derivatives of the field strength tensor, and study their degrees of freedom. Using a 3+1 decomposition of these Lagrangians, we extract the kinetic matrix for the components of the electric field, corresponding to second time derivatives of the gauge field. If the kinetic matrix is invertible, the theory admits five degrees of freedom, namely the usual two polarisations of a photon plus three extra degrees of freedom which are shown to be Ostrogradski ghosts. We also classify the cases where the kinetic matrix is non-invertible and, using analogous simple models, we argue that, even though the degeneracy conditions reduce the number of degrees of freedom, it does not seem possible to fully eliminate all potential Ostrogradski ghosts.
Patient Perception of Prolapse Condition Questionnaire: A Validated Patient-Reported Outcome Measure
Authors: Thiagamoorthy Gans , Mohamed-Ahmed Rayan , Vella Maria , Cardozo Linda , Giarenis Ilias , Zacche Martino , Flint Richard , Srikrishna Sushma , Robinson Dudley
Published: October 2024

Introduction and Hypothesis

Identifying patient-reported outcome measures allows management of urogenital prolapse to be tailored to reflect symptom bother and expectations of treatment. We devised a new single-item questionnaire, the Patient Perception of Prolapse Condition (PPPC), based on the Patient Perception of Bladder Condition (PPBC). The aim was to evaluate the criterion validity, test/re-test reliability and responsiveness of the PPPC.

Methods

Women attending a tertiary urogynaecology clinic were recruited. At visit 1, patients completed the Prolapse Quality of Life (P-QOL) and PPPC questionnaires, and underwent a Pelvic Organ Prolapse Quantification (POP-Q) examination. This allowed assessment of criterion validity using Spearman’s rank correlation (rho) of the PPPC against validated subjective and objective outcomes. At visit 2, within the next 6 weeks, PPPC was repeated to assess test/re-test reliability using Cronbach's alpha (α). In those undergoing pelvic floor surgery, responsiveness of the PPPC was assessed at visit 3 by correlating PPPC and P-QOL scores 6 weeks post-operatively.

Results

A total of 178 patients attended visit 1, 60 attended visit 2 and 58 attended visit 3. At visit 1, there were moderate correlations between the PPPC and both objective (POP-Q: rho = 0.385, p < 0.01, CI 0.192–0.549) and subjective (P-QOL: rho = 0.635, p < 0.01, CI 0.493–0.744) measures confirming criterion validity. Test/re-test reliability was high (α = 0.89). Correlation with post-operative PPPC and P-QOL confirmed moderate responsiveness (rho = 0.54, p < 0.01).

Conclusion

The PPPC, a novel single-item patient-reported measure of prolapse condition, demonstrated good criterion validity, test/re-test reliability and responsiveness. These findings support the use of the PPPC as a global assessment of prolapse condition.
On the first order theory of plactic monoids
Authors: Turaev Daniel
Published: October 2024

We prove that a plactic monoid of any finite rank has decidable first order theory. This resolves other open decidability problems about the finite rank plactic monoids, such as the Diophantine problem and identity checking. This is achieved by interpreting a plactic monoid of arbitrary rank in Presburger arithmetic, which is known to have decidable first order theory. We also prove that the interpretation of the plactic monoids into Presburger Arithmetic is in fact a bi-interpretation, hence any two plactic monoids of finite rank are bi-interpretable with one another. The algorithm generating the interpretations is uniform, which answers positively the decidability of the Diophantine problem for the infinite rank plactic monoid.
Heat stress and bleaching in corals: a bioenergetic model
Authors: Pfab Ferdinand , Detmer A. Raine , Moeller Holly V. , Nisbet Roger M. , Putnam Hollie M. , Cunning Ross
Published: October 2024

The coral-dinoflagellate endosymbiosis is based on nutrient exchanges that impact holobiont energetics. Of particular concern is the breakdown or dysbiosis of this partnership that is seen in response to elevated temperatures, where loss of symbionts through coral bleaching can lead to starvation and mortality. Here we extend a dynamic bioenergetic model of coral symbioses to explore the mechanisms by which temperature impacts various processes in the symbiosis and to enable simulational analysis of thermal bleaching. Our model tests the effects of two distinct mechanisms for how increased temperature impacts the symbiosis: 1) accelerated metabolic rates due to thermodynamics and 2) damage to the photosynthetic machinery of the symbiont caused by heat stress. Model simulations show that the model can capture key biological responses to different levels of increased temperatures. Moderately increased temperatures increase metabolic rates and slightly decrease photosynthesis. The slightly decreased photosynthesis rates cause the host to receive less carbon and share more nitrogen with the symbiont. This results in temporarily increased symbiont growth and a higher symbiont/host ratio. In contrast, higher temperatures cause a breakdown of the symbiosis due to escalating feedback that involves further reduction in photosynthesis and insufficient energy supply for $$\hbox {CO}_2$$

CO
2

concentration by the host. This leads to the accumulation of excess light energy and the generation of reactive oxygen species, eventually triggering symbiont expulsion and coral bleaching. Importantly, bleaching does not result from accelerated metabolic rates alone; it only occurs as a result of the photodamage mechanism due to its effect on nutrient cycling. Both higher light intensities and higher levels of DIN render corals more susceptible to heat stress. Conversely, heterotrophic feeding can increase the maximal temperature that can be tolerated by the coral. Collectively these results show that a bioenergetics model can capture many observed patterns of heat stress in corals, such as higher metabolic rates and higher symbiont/host ratios at moderately increased temperatures and symbiont expulsion at strongly increased temperatures.
Investigating the cause of cardiovascular dysfunction in chronic kidney disease: capillary rarefaction and inflammation may contribute to detrimental cardiovascular outcomes
Authors: Beikoghli Kalkhoran Siavash , Basalay Maryna , He Zhenhe , Golforoush Pelin , Roper Tayeba , Caplin Ben , Salama Alan D. , Davidson Sean M. , Yellon Derek M.
Published: October 2024

Myocardial ischemia–reperfusion (IR) injury is a major cause of morbidity and mortality in patients with chronic kidney disease (CKD). The most frequently used and representative experimental model is the rat dietary adenine-induced CKD, which leads to CKD-associated CVD. However, the continued intake of adenine is a potential confounding factor. This study investigated cardiovascular dysfunction following brief adenine exposure, CKD development and return to a normal diet. Male Wistar rats received a 0.3% adenine diet for 10 weeks and normal chow for an additional 8 weeks. Kidney function was assessed by urinalysis and histology. Heart function was assessed by echocardiography. Sensitivity to myocardial IR injury was assessed using the isolated perfused rat heart (Langendorff) model. The inflammation profile of rats with CKD was assessed via cytokine ELISA, tissue histology and RNA sequencing. Induction of CKD was confirmed by a significant increase in plasma creatinine and albuminuria. Histology revealed extensive glomerular and tubular damage. Diastolic dysfunction, measured by the reduction of the E/A ratio, was apparent in rats with CKD even following a normal diet. Hearts from rats with CKD had significantly larger infarcts after IR injury. The CKD rats also had statistically higher levels of markers of inflammation including myeloperoxidase, KIM-1 and interleukin-33. RNA sequencing revealed several changes including an increase in inflammatory signaling pathways. In addition, we noted that CKD induced significant cardiac capillary rarefaction. We have established a modified model of adenine-induced CKD, which leads to cardiovascular dysfunction in the absence of adenine. Our observations of capillary rarefaction and inflammation suggest that these may contribute to detrimental cardiovascular outcomes.
Effects of brain microRNAs in cognitive trajectory and Alzheimer’s disease
Authors: Vattathil Selina M. , Tan Sarah Sze Min , Kim Paul J. , Bennett David A. , Schneider Julie A. , Wingo Aliza P. , Wingo Thomas S.
Published: October 2024

microRNAs (miRNAs) have a broad influence on gene expression; however, we have limited insights into their contribution to rate of cognitive decline over time or Alzheimer’s disease (AD). Given this, we tested associations of 528 miRNAs with cognitive trajectory, AD hallmark pathologies, and AD clinical diagnosis using small RNA sequencing from the dorsolateral prefrontal cortex of 641 community-based donors. We found 311 miRNAs differentially expressed in AD or its endophenotypes after adjusting for technical and sociodemographic variables. Among these, 137 miRNAs remained differentially expressed after additionally adjusting for several co-occurring age-related cerebral pathologies, suggesting that some miRNAs are associated with the traits through co-occurring pathologies while others through mechanisms independent from pathologies. Pathway enrichment analysis of downstream targets of these differentially expressed miRNAs found enrichment in transcription, postsynaptic signalling, cellular senescence, and lipoproteins. In sex-stratified analyses, five miRNAs showed sex-biased differential expression for one or more AD endophenotypes, highlighting the role that sex has in AD. Lastly, we used Mendelian randomization to test whether the identified differentially expressed miRNAs contribute to the cause or are the consequence of the traits. Remarkably, 15 differentially expressed miRNAs had evidence consistent with a causal role, laying the groundwork for future mechanistic studies of miRNAs in AD and its endophenotypes.
A renormalization scheme for semi-regular continued fractions
Authors: Langeveld Niels , Ralston David
Published: October 2024

In this article we study a renormalization scheme with which we find all semi-regular continued fractions of a number in a natural way. We define two maps,

$$\hat{T}_{slow}$$

T
^

slow

and

$$\hat{T}_{fast}$$

T
^

fast

: these maps are defined for

$$(x,y)\in [0,1]$$

(
x
,
y
)
∈
[
0
,
1
]

, where x is the number for which a semi- regular continued fraction representation is developed by

$$\hat{T}_{slow}$$

T
^

slow

according to the parameter y. The set of all possible semi-regular continued fraction representations of x are bijectively constructed as the parameter y varies. The map

$$\hat{T}_{fast}$$

T
^

fast

is a “sped up" version of the map

$$\hat{T}_{slow}$$

T
^

slow

, and we show that

$$\hat{T}_{fast}$$

T
^

fast

is ergodic with respect to a probability measure which is mutually absolutely continuous with Lebesgue measure. In contrast,

$$\hat{T}_{slow}$$

T
^

slow

preserves no such measure, but does preserve an infinite,

$$\sigma $$

σ

-finite measure mutually absolutely continuous with Lebesgue measure. Furthermore, we generate a sequence of substitutions which generate a symbolic coding of the orbit of y under rotation by x modulo one. In the last section we highlight how our scheme can be used to generate semi-regular continued fractions explicitly for specific continued fraction algorithms such as Nakada’s

$$\alpha $$

α

-continued fractions.