bluuebunny/crossref_metadata_2025 huggingface dataset:
Amino Acids Functionalized Fluorescent Carbon‐based Nanoparticle for Dual Detection of Co(II) and Cu(II) Based on Synergistic Effect of Surface Groups
Authors: Fang Zhao , Jiaolong Peng , Ze Zhang , Wei Zhou
Published: January 2025

Using citric acid, urea, phosphoric acid, and amino acids as raw materials, doped carbon‐based nanoparticles (Ami‐CNPs) with approximately 100 nm grain diameter were synthesized via a hydrothermal method. Infrared spectroscopy revealed the presence of ‐NH2, ‐COOH, and amino acid residues on the particle surface. Under 365 nm excitation, Ami‐CNPs emitted blue fluorescence with persistent stability in acidic, alkaline, and saline environments. Among carbon‐based nanoparticles doped with various amino acids, only the one doped with cysteine (Cys‐CNPs) exhibit unique fluorescence responses to Co2+ and Cu2+ ions, and behaved excellent linear relationships: the former quenched (LOD = 0.479 µM) while the latter enhanced (LOD = 0.547 µM) fluorescence. Moreover, the quenched fluorescence of Cys‐CNPs by Co2+ could be restored by the addition of Cu2+, while Co2+ had no effect on the fluorescence of Cys‐CNPs coexisting with Cu2+. The dual metal sensing properties of Cys‐CNPs were attributed to the synergistic effects of surface functional groups. The surface cysteine residues of the particles specifically bind to Co2+ ions, inducing fluorescence quenching via electron transfer to nonfluorescent Cys‐Co complexes, while the ‐NH2 and ‐COOH groups chelated with Cu2+ to induce forming rigid structures among particles, thereby enhancing fluorescence efficiency of Cys‐CNPs.
Hydroxymethyl Lignin‐Capped Silver Nanoparticles: Antimicrobial and Hydrogen Peroxide‐Sensing Ability
Authors: Madivoli Edwin Shigwenya , Kamau Kahinga , Kimani Paul Kinyanjui , Takai‐Yamashita Chika
Published: January 2025

Lignin (Lg) fractionation overcomes the limitations of its heterogeneous nature. In this study, the effect of methanol fractionation on the thermal degradation, crystallinity, morphology, and chemical structure of lignin and its application in hydrogen peroxide sensing are investigated. Pristine Lg was separated into low‐molecular‐weight (LMwLg) and high‐molecular‐weight fractions (HMwLg), followed by modification to hydroxymethyl lignin (HmLg), which reduced silver ions in solution to silver nanoparticles (AgNPs). The functional groups, crystallinity, thermal profile, and morphology were then investigated using Fourier transform infrared spectroscopy, powder diffraction, thermal gravimetry, and scanning electron microscopy. LMwLg was found to be crystalline, highly hygroscopic, and had four thermal degradation stages, while HMwLg had several degradation stages and was amorphous. The sharp peaks in the LMwLg diffractogram were characteristic of sodium ions, while those in AgNPs‐HmLg were characteristic of AgNPs, as evidenced by the SPR peak at 428 nm whose intensity decreased in the presence of hydrogen peroxide. Moreover, AgNPs‐HmLg exhibited higher inhibitory activity toward Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, and Bacillus subtilis with inhibition zones of 10.67 ± 0.58, 11.50 ± 0.00, 10.33 ± 0.58, and 8.33 ± 0.57 cm as compared to pristine lignin. In conclusion, AgNPs‐HmLg detected the presence of hydrogen peroxide in solution and inhibited the growth of selected Gram‐positive and Gram‐negative bacteria.
Novel N‐Hydroxyheptanamides Incorporating 7‐Hydroxy‐2‐Oxo‐2H‐Chromene‐3‐Carboxamides as Histone Deacetylase Inhibitors and Cytotoxic Agents: Design, Synthesis, and Biological Evaluation
Authors: Thanh Tran Duy , Thach Vu Xuan , Cuong Ho Duc , Van Chinh Luu , Dung Nguyen Trung , Thao Do Thi , Quy Duong Quang , The Hai‐Pham , Vu Tran Khac
Published: January 2025

In our search for novel small molecules targeting histone deacetylases, we have designed and synthesized a series of novel N‐hydroxyheptanamides incorporating 7‐hydroxy‐2‐oxo‐2H‐chromene‐3‐carboxamides (6a‐o). Biological evaluation showed that these hydroxamic acids were generally cytotoxic against five human cancer cell lines including A549 (human lung carcinoma), DD1 (human colon adenocarcinoma), Huh‐7 (human hepatocellular carcinoma), NCCIT (human embryonic carcinoma), H23 (adenocarcinoma; non‐small cell lung cancer) and a normal cell line Vero. It was found that the N‐hydroxyheptanamides (6a, 6m‐o) were the most potent towards human embryonic carcinoma cancer cells (NCCIT) with IC50 values of 1.95–0.79 µM compared to the reference drug, Vorinostat (SAHA) (IC50, 1.73 µM). Additionally, some selected compounds were tested for toxicity against the normal cell line Vero. The result indicated that the selected compounds exhibited lower to similar toxicity towards Vero cells compared to Ellipticine. Moreover, these compounds also showed excellent HDAC inhibitory effect with IC50 values of 0.094–0.054 µM, six to ten‐fold more potent than Vorinostat (SAHA) (IC50, 0.630 µM). Docking studies performed with some potent compounds 6a, 6m‐o using Autodock Vina showed that these compounds bound to HDAC2 with relatively high binding affinities from ‐18.218 to ‐15.656 kcal/mol compared to SAHA (‐18.176 kcal/mol) and Trichostatin A (‐18.780 kcal/mol).
L‐Arginine‐Modified Selenium Nanozymes Targeting M1 Macrophages for Oral Treatment of Ulcerative Colitis
Authors: Li Shuaiwen , Chen Zihui , Wang Minyu , Rao Yao , Yang Feng , Liu Mei , Chu Weihua , Yue Wanqing
Published: January 2025

Ulcerative colitis (UC) involves persistent inflammation in the colon and rectum, with excessive reactive oxygen species (ROS) accumulation. This ROS buildup damages colonic epithelial cells and disrupts intestinal flora, worsening disease progression. Current antioxidant therapies are limited due to their instability in the gut and lack of targeting, hindering precise intervention at the lesion site. This study prepares an L‐Arginine‐modified selenium nanozyme (Se‐CA) for the targeted oral treatment of UC. Se‐CA specifically targets M1‐type macrophages at sites of inflammation by binding to cationic amino acid transporter protein 2 on the surface of M1‐type macrophages. In vitro studies show that Se‐CA scavenges reactive ROS and reactive nitrogen species (RNS) in artificial gastric acid and intestinal fluids, and inhibits iron death in intestinal epithelial cells. In mice model of ulcerative colitis, oral administration of Se‐CA is effective in the treatment of colitis through its anti‐inflammatory and antioxidant properties, inhibition of iron death and regulation of intestinal flora. In conclusion, this work provides new insights into the targeted oral treatment of UC.
Unlocking Low‐Temperature Ammonia Decomposition via an Iron Metal–Organic Framework‐Derived Catalyst Under Photo‐Thermal Conditions
Authors: Sousa Angel , Mateo Diego , Garzon‐Tovar Luis , Brennan Kevin , Rendón‐Patiño Alejandra , Morlanés Natalia , Wang Xinhuilan , Navarro Juan C. , Ruiz‐Martinez Javier , García‐Melchor Max , Gascon Jorge
Published: January 2025

Photo‐thermal catalysis, leveraging both thermal and non‐thermal solar contributions, emerges as a sustainable approach for fuel and chemical synthesis. In this study, an Fe‐based catalyst derived from a metal–organic framework is presented for efficient photo‐thermal ammonia (NH3) decomposition. Optimal conditions, under light irradiation without external heating, result in a notable 55% NH3 conversion. Mechanistic investigations reveal that the enhanced catalytic activity arises from the synergistic interplay between light‐induced hot carriers and elevated temperatures during irradiation. Supported by density functional theory calculations, the findings elucidate the dual role of the catalyst. At lower temperatures, photo‐generated electrons in the Fe3O4 phase serve to raise the energies of reaction intermediates, preventing the formation of a thermodynamic sink. Conversely, at higher temperatures, metallic Fe emerges as the predominant active phase, with thermal contributions prevailing. Overall, this work advances the understanding of the cooperative effects between light and heat in photo‐thermal systems, paving the way for innovative applications in sustainable energy conversion.
Sociological Perspectives on AI, Intelligence and Communication
Authors: Tække Jesper
Published: January 2025

Introduction. This article presents a comprehensive theoretical model to understand the societal challenges posed by AI, examining AI as a unique form of intelligence—distinct from human cognition—that functions as a computational technology integrated into societal communication processes. Using educational systems as a key example, the article explores AI's implications for functional differentiation across society. Methods. The study applies Luhmann's systems theory, emphasizing communication, double contingency, and the transformative role of digital media and AI. A sociological analysis is conducted on how AI, through virtual double contingency, affects communication within interaction, organization, and functional systems, embedding values beyond negotiation. Results. Findings indicate that AI results in algorithmic differentiation which disrupts traditional communication structures, diminishing functional autonomy within systems like education and altering social structures with profound implications for individuals and society. This transformation is analysed within three societal models: authoritarian, market‐driven, and democratic. Conclusion. While AI integration is essential to maintain European competitiveness alongside the USA and China, it also poses risks to functional differentiation and democratic principles. The article underscores the necessity of a robust regulatory framework and value‐driven approach to responsibly leverage AI's benefits without undermining societal structures or the European democratic model.
Emerald Ash Borer (Agrilus planipennis Fairmaire) Damaging Bottomland Forest in North‐Central Texas, USA
Authors: Hudak Paul F.
Published: January 2025

Emerald ash borer (Agrilus planipennis Fairmaire) (EAB), a phloem‐feeding beetle native to Asia, continues to destroy ash trees across the United States. The objective of this study was to assess EAB damage to green ash (Fraxinus pennsylvanica) and seedling recovery in dwindling (remnant) bottomland near a water supply reservoir in Denton County, Texas. EAB damage was extensive; however, numerous seedlings were thriving and suggest the area will recover. Large trees suffered the most damage. Of 101 large‐diameter (16–60 cm) trees, only nine were alive, and none were in good health. In a small‐diameter (2.5–15 cm) class, only 49 of 174 trees were living, and 15 were in good health. Interior excavation galleries on a recently fallen tree indicate EAB may have been present in Denton County earlier than previously documented. This study highlights the continued spread of EAB in the southern part of its range, recovery patterns, and a need for public outreach as part of an integrated management plan to address the problem.
Trends of surgical treatment and enhanced recovery after surgery (ERAS) application for adrenal tumors: An 11‐year observational study based on electronic medical record
Authors: Luo Bingfeng , Yao Chi , Zhan Yongle , Yuan Yuan , Liao Sucai , Lu Zhenquan , Na Rong , Lo Richard K.
Published: January 2025

Background

Adrenal tumor is a common condition that often requires adrenalectomy. The objective of this study is to compare the safety and implementation of the enhanced recovery after surgery (ERAS) among patients who received open, laparoscopic and robotic‐assisted operation. The impact of ERAS on health economics was also preliminarily evaluated.

Methods

This is a retrospective study using the electronic medical records of patients with adrenal tumor at the University of Hong Kong‐Shenzhen Hospital between January 2013 and December 2023. All the patients received partial or total adrenalectomy via different surgical approaches.

Results

A total of 254 participants were included in our study. Among them, 229 (90.2%) received laparoscopic adrenalectomy, 12 (4.7%) received robotic‐assisted operation, and 13 (5.1%) received open surgery. The majority of the patients' costs (n = 200, 78.7%) were covered by national health insurance in China. The proportion of robotic surgery increased significantly over time (p < 0.001). Laparoscopic surgery showed significantly shorter operating time and less bleeding than open surgery (p < 0.001). Implementation of ERAS after surgery increased from 3% in 2013–2015 to 46% in 2022–2023 following the 4N protocol (no drainage, no antibiotics, no opioid analgesia, and no intravenous fluids). The out‐of‐pocket expenses for patients decreased from CNY 11 700 in 2013 to CNY 2700 in 2023.

Conclusion

The proportion of ERAS has increased. Despite increased total expenses, the out‐of‐pocket expenses for patients have significantly decreased over time via implementation of the ERAS approach.
Statistical considerations in the analysis of minirhizotron data and a review of current practice in agronomic research
Authors: Riley Simon , van Santen Edzard
Published: January 2025

A growing body of agronomic research seeks to understand the drivers of plant‐ and field‐scale patterns of crop root system distribution, and how root system distribution in turn affects crop performance. Minirhizotrons play an important role in this effort due to the unique opportunities they provide for collecting in situ root measurements, nondestructively, under field conditions, over a deep (albeit narrow) section of the soil profile. Alongside these advantages and opportunities, however, minirhizotron data also feature a number of idiosyncrasies with potentially important implications for their analysis, including (i) doubly repeated measures in time and space, (ii) non‐normal data with a potentially large number of zeros, and (iii) data subjected to spatial aggregation and, thus, the modifiable areal unit problem. Twenty years of peer‐reviewed journal articles from field trials using minirhizotrons to study cultivated species were reviewed to understand how these statistical issues are being addressed in contemporary agronomic research. The findings indicate that a large proportion of analyses make no effort to account for these issues; it is possible the authors are not aware of them or their implications. Furthermore, even where the analytical methods do reflect concern about one or more of these issues, many studies remain reliant on antiquated and potentially inefficient methods. Crop root systems researchers need to familiarize themselves with more modern, flexible approaches to statistical analysis appropriate to their data and their research objectives, while journals and reviewers need to redouble their efforts to enforce statistical rigor in the works they publish.
Exact flux vacua, symmetries, and the structure of the landscape
Authors: Grimm Thomas W. , van de Heisteeg Damian
Published: January 2025

Abstract

Identifying flux vacua in string theory with stabilized complex structure moduli presents a significant challenge, necessitating the minimization of a scalar potential complicated by infinitely many exponential corrections. In order to obtain exact results we connect three central topics: transcendentality or algebraicity of coupling functions, emergent symmetries, and the distribution of vacua. Beginning with explicit examples, we determine the first exact landscape of flux vacua with a vanishing superpotential within F-theory compactifications on a genuine Calabi-Yau fourfold. We find that along certain symmetry loci in moduli space the generically transcendental vacuum conditions become algebraic and can be described using the periods of a K3 surface. On such loci the vacua become dense when we do not bound the flux tadpole, while imposing the tadpole bound yields a small finite landscape of distinct vacua. Away from these symmetry loci, the transcendentality of the fourfold periods ensures that there are only a finite number of vacua with a vanishing superpotential, even when the tadpole constraint is removed. These observations exemplify the general patterns emerging in the bulk of moduli space that we expose in this work. They are deeply tied to the arithmetic structure underlying flux vacua and generalize the finiteness claims about rational CFTs and rank-two attractors. From a mathematical perspective, our study is linked with the recent landmark results by Baldi, Klingler, and Ullmo about the Hodge locus that arose from connecting tame geometry and Hodge theory.
Symmetries, universes and phases of QCD2 with an adjoint Dirac fermion
Authors: Damia Jeremias Aguilera , Galati Giovanni , Tizzano Luigi
Published: January 2025

Abstract

We study 2d SU(N) QCD with an adjoint Dirac fermion. Assuming that the IR limit of the massless theory is captured by a WZW coset CFT, we show that this CFT can be decomposed into a sum of distinct CFTs, each representing a superselection sector (universe) of the gauge theory corresponding to different flux tube sectors. The CFTs describing each universe are related by non-invertible topological lines that exhibit a mixed anomaly with the $$ {\mathbb{Z}}_N^{(1)} $$

ℤ
N

1

1-form symmetry. These symmetries exists along the entire RG flow thereby implying deconfinement of the massless theory. We begin by outlining the general features of the model for arbitrary N and then provide a detailed analysis for N = 2 and N = 3. In these specific cases, we explicitly determine the IR partition function, identify the symmetries, and explore relevant deformations. Based on these findings and in alignment with various previous studies, we propose a phase diagram for the massive SU(2) gauge theory and calculate its confining string tension.
Hybrid bifurcations: periodicity from eliminating a line of equilibria
Authors: López-Nieto Alejandro , Lappicy Phillipo , Vassena Nicola , Stuke Hannes , Dai Jia-Yuan
Published: January 2025

We describe a new mechanism that triggers periodic orbits in smooth dynamical systems. To this end, we introduce the concept of hybrid bifurcations, which consists of a bifurcation without parameters and a classical bifurcation. Our main result classifies the hybrid bifurcation when a line of equilibria with an exchange point of normal stability vanishes. We showcase the efficacy of our approach by proving stable periodic coexistent solutions in an ecosystem of two competing predators with Holling’s type II functional response.
The number of brood parasite visits affects subsequent aggression towards the parasite dummy in host males, but not in females
Authors: Požgayová Milica , Samaš Peter , Šulc Michal , Štětková Gabriela , Jelínek Václav , Honza Marcel , Procházka Petr
Published: January 2025

Aggression towards brood parasites is an important component of host frontline defences. Hosts sometimes adjust this behaviour based on their previous experience with the parasites. Here, we explore whether host aggression towards the parasite dummy is affected by (1) the number of parasite visits prior to the dummy experiment and (2) the time elapsed since the last parasite visit (both identified from continuous video-recordings of host nests). As a model species, we used the great reed warbler (Acrocephalus arundinaceus), which is a major host of the common cuckoo (Cuculus canorus). At our study site, this host shows high aggression towards the cuckoo and experiences high parasitism rates. We found that the hosts increased their aggression towards the parasite dummy with increasing number of previous parasite visits. Moreover, the hosts retained aggression at high levels if the last parasite visit occurred recently. However, these behavioural patterns were or tended to be significant only in host males. Our findings underscore the importance of individual experience in shaping host aggression towards brood parasites, at least in the more aggressive sex. Therefore, we recommend considering the information on prior host‒parasite interactions when planning dummy experiments, because it may contribute to a deeper understanding of the variability in host defences against brood parasitism.
Left atrial appendage occlusion: trends in demographics and in-hospital outcomes—a German nationwide analysis
Authors: Voran Jakob Christoph , Seoudy Hatim , Leye Marius , Kolbrink Benedikt , Schulte Kevin , Dempfle Astrid , Frank Derk , Kreidel Felix
Published: January 2025

Background

LAAO is an interventional, prophylactic treatment to prevent cardioembolic stroke in patients with non-valvular atrial fibrillation.

Aims

The aim of this study was to assess gender differences and age-related in-hospital course of all patients undergoing left atrial appendage occlusion (LAAO) in Germany.

Methods

The Research Data Center of the Federal Statistical Office accessed interrogation of its Diagnosis Related Groups (DRG) statistics database. In a retrospective observational manner, all German in-hospital cases from 2016 to 2022 with a coded LAAO procedure were analyzed.

Results

LAAO was performed on a total of 40,435 patients, 39.2% of whom were female. The relative frequency of procedures in the German male population over the age of 60 was twice as high as in the German female population. The median age was 78 (IQR: 72–82) years. Compared to 28.3% in 2016, in 2022 40.1% of all patients were over 80 years of age (increased by 152%). Cases of patients over 85 years of age increased from 7.7 to 11.4% during the same time period. We found an in-hospital death rate for patients < 70, 70–75, 80–85 and > 85 years of age of 0.8, 1.0, 1.4 and 2.2% respectively. Further, we saw significantly higher MACE rates (< 75 years: 4%, 75–85 years: 5%, > 85 years: 7%) in patients with a higher age. Gender was not significantly associated with a higher rate of in-hospital mortality.

Conclusions

In Germany, LAAO is increasingly performed in older patients with a strong gender imbalance. Age was independently associated with higher in-hospital MACE and mortality rates. This data provides a further basis to balance risks and benefits of LAAO as a preventive procedure and highlights the need for further prospective studies.

Graphical abstract

Trends in gender, demographics and in-hospital outcomes in a German nationwide analysis on all patients with an LAAO procedure in the years from 2016 to 2022.
Spinal cord gray matter atrophy is associated with disability in spinal muscular atrophy
Authors: Kesenheimer Eva Maria , Wendebourg Maria Janina , Weidensteiner Claudia , Sander Laura , Weigel Matthias , Haas Tanja , Fischer Dirk , Neuwirth Christoph , Braun Nathalie , Weber Markus , Granziera Cristina , Sinnreich Michael , Bieri Oliver , Schlaeger Regina
Published: January 2025

Background

With the approval of disease-modifying treatments for 5q-spinal muscular atrophy (SMA), there is an increasing need for biomarkers for disease course and therapeutic response monitoring. Radially sampled Averaged Magnetization Inversion Recovery Acquisitions (rAMIRA) MR-imaging enables spinal cord (SC) gray matter (GM) delineation and quantification in vivo. This study aims to assess SC GM atrophy in patients with 5q-SMA and its associations with clinical disability.

Methods

Twenty-one patients with 5q-SMA and twenty-one age- and sex-matched healthy controls (HCs) prospectively underwent 3 T axial 2D-rAMIRA MR-imaging at the intervertebral disc levels C2/C3-C5/C6 and Tmax (lumbar enlargement level). Associations between SC GM areas with muscle strength tested by dynamometry, Motor Function Measure (MFM), revised upper limb module (RULM), Revised Hammersmith Scale (RHS), and SMA-Functional Rating Scale (SMA-FRS) were assessed by Spearman Rank correlations and linear regression analysis.

Results

Compared to HCs, patients had significantly reduced SC GM areas at levels C3/C4 (relative reduction (RR) = 13.6%, p < 0.0001); C4/C5 (RR = 16.7%, p < 0.0001), C5/C6 (RR = 17.1%, p < 0.0001), and Tmax (RR = 17.4%, p < 0.0001). Significant correlations were found between cervical SC GM areas and muscle strength, RULM, MFM, RHS, and SMA-FRS. In linear regression analysis, GM area C3/C4 explained 33% of RHS variance.

Conclusion

SC GM atrophy is detectable in patients with 5q-SMA and is consistently associated with clinical measures of upper limb function, physiotherapeutic assessments, and SMA-FRS indicating the clinical relevance of the observed atrophy. Further longitudinal investigations are necessary next steps to evaluate this novel and easily applicable imaging marker as a potential disease course and therapeutic response marker.
Early therapy initiation is crucial in chronic inflammatory demyelinating polyneuropathy: prospective multimodal data from the German INHIBIT registry
Authors: Schumacher Aurelian , Hieke Alina , Spenner Marie , Schmitz Fynn , Sgodzai Melissa , Klimas Rafael , Brünger Jil , Huckemann Sophie , Motte Jeremias , Fisse Anna Lena , Gold Ralf , Pitarokoili Kalliopi , Grüter Thomas
Published: January 2025

Background

Diagnosing chronic inflammatory demyelinating polyneuropathy (CIDP) can be challenging, leading to delays in initiating therapy. As disability in CIDP is mainly dependent on axonal damage, the impact of delayed immunotherapy remains unclear. We multimodally investigated the clinical outcomes of patients with early CIDP regarding different treatment strategies and time points.

Methods

Patients with CIDP diagnosis within 1 year before study inclusion were systematically selected from the prospective Immune-mediated Neuropathies Biobank (INHIBIT) registry. Clinical and therapeutic data, and findings from nerve conduction study (NCS), and nerve and muscle ultrasound were correlated at inclusion and 12 months later. The patient outcomes were compared between immunotherapies. The effect of timing immunotherapy on clinical outcomes was determined using regression analysis.

Results

In total, 30 patients were included (time from diagnosis to inclusion 22 ± 19 weeks). Low amplitudes of compound muscle potential were significantly associated with pathological spontaneous activity (PSA, r = 0.467) and correlated with the Heckmatt scale (r

Sp
 = 0.391). All three parameters were significantly associated with higher overall disability sum scores (NCS score r

Sp
 = 0.581, PSA r = 0.385, Heckmatt scale r

Sp
 = 0.472). The delays in initiating therapy resulted in progression of axonal damage (r

Sp
 = 0.467) and disability (R
2 = 0.200). The combination of first-line therapies led to reduced disability progression (r = 0.773), while second-line therapies resulted in improved overall axonal damage (r = 0.467).

Conclusions

Axonal damage occurs early and is the main cause of clinical disabilities. Prompt initiation of therapy is crucial to prevent axonal damage and thereby disability progression. A comprehensive therapeutic approach, including a combination of first- or second-line therapies, may improve long-term outcomes.
Energy and QoS-aware virtual machine placement approach for IaaS cloud datacenter
Authors: Elsedimy E. I. , Herajy Mostafa , Abohashish Sara M. M.
Published: January 2025

Virtualization technology enables cloud providers to abstract, hide, and manage the underlying physical resources of cloud data centers in a flexible and scalable manner. It allows placing multiple independent virtual machines (VMs) on a single server in order to improve resource utilization and energy efficiency. However, determining the optimal VM placement is crucial as it directly impacts load balancing, energy consumption, and performance degradation within the data center. Furthermore, deciding on VM placement based on a single factor is usually insufficient to improve data center performance because many factors must be considered, and ignoring them may be too expensive. This paper improves a new multi-objective VM placement (MVMP) algorithm using a quantum particle swarm optimization (QPSO) technique. We call it QPSO-MOVMP, and its objective is to find the Pareto optimal solution for the VM placement problem by balancing different goals. This algorithm generates Pareto optimal solutions that save power by minimizing the number of running physical machines, avoid performance degradation by maintaining service level agreement (SLA), and improve load balancing by keeping server loads at optimal utilization. The experimental results show that QPSO-MOVMP had superior performance in terms of power consumption and performance degradation compared to three other multi-objective algorithms and three conventional single-objective algorithms. Simulation results show that the proposed QPSO-MOVMP achieves a consumption of 2.4 × 104 watts in power. Furthermore, it outperformed the others, achieving a minimum of 12% SLA breaches while experiencing a significant surge in requests from VMs. Moreover, the proposed model generated Pareto solutions that had a better distribution than those derived from a comparative method.
Do P-glycoprotein-mediated drug-drug interactions at the blood-brain barrier impact morphine brain distribution?
Authors: Gülave Berfin , Lesmana Ariel , de Lange Elizabeth CM , van Hasselt JG Coen
Published: January 2025

P-glycoprotein (P-gp) is a key efflux transporter and may be involved in drug-drug interactions (DDIs) at the blood-brain barrier (BBB), which could lead to changes in central nervous system (CNS) drug exposure. Morphine is a P-gp substrate and therefore a potential victim drug for P-gp mediated DDIs. It is however unclear if P-gp inhibitors can induce clinically relevant changes in morphine CNS exposure. Here, we used a physiologically-based pharmacokinetic (PBPK) model-based approach to evaluate the potential impact of DDIs on BBB transport of morphine by clinically relevant P-gp inhibitor drugs.

The LeiCNS-PK3.0 PBPK model was used to simulate morphine distribution at the brain extracellular fluid (brainECF) for different clinical intravenous dosing regimens of morphine, alone or in combination with a P-gp inhibitor. We included 34 commonly used P-gp inhibitor drugs, with inhibitory constants and expected clinical P-gp inhibitor concentrations derived from literature. The DDI impact was evaluated by the change in brainECF exposure for morphine alone or in combination with different inhibitors. Our analysis demonstrated that P-gp inhibitors had a negligible effect on morphine brainECF exposure in the majority of simulated population, caused by low P-gp inhibition. Sensitivity analyses showed neither major effects of increasing the inhibitory concentration nor changing the inhibitory constant on morphine brainECF exposure. In conclusion, P-gp mediated DDIs on morphine BBB transport for the evaluated P-gp inhibitors are unlikely to induce meaningful changes in clinically relevant morphine CNS exposure. The developed CNS PBPK modeling approach provides a general approach for evaluating BBB transporter DDIs in humans.
The nexus between agroforestry landscapes and dietary diversity: insights from Myanmar’s Central Dry Zone
Authors: Htet Khant Sandar , Plieninger Tobias , Kmoch Laura
Published: January 2025

Context

Agroforestry plays a crucial role in increasing tree-based food production for healthy and sustainable food systems. However, the potential of farm trees to contribute to farmers' dietary diversity along multiple paths remains under-researched.

Objectives

This study aimed to fill existing knowledge gaps by investigating the role of native trees (toddy palm, jujube, and thanakha) in increasing dietary diversity within dryland agroforestry systems.

Methods

We conducted face-to-face qualitative interviews with 47 farmers from the Central Dry Zone of Myanmar (i) to appraise the multiple roles of native tree species in agroforestry landscapes, (ii) to unravel their contributions to four dietary diversity paths, and (iii) to elucidate factors driving the stability of or changes in these pathways.

Results

We found that native trees provide food directly and through interaction with crop production and livestock farming, leading to dietary diversification. Agroforestry byproducts are used as fuel and manure, and income from trading agroforestry products provides access to additional food sources. Farmers emphasized the ease of tree management and the roles they play in providing passive income and enhancing resilience to climate stressors as stabilizing factors. However, social-cultural changes, lack of extension services, the unsustainable use of tree products, and market instability were identified as destabilizing factors.

Conclusions

This study advances knowledge about the holistic contribution of agroforestry landscapes to dietary diversity by presenting evidence from dryland agroforestry systems in Myanmar. Our findings suggest a need for enhanced understanding of social and ecological changes and cultural factors in agroforestry landscapes to maintain the role of native trees in strengthening dietary diversity.
Structural engineering of flagellin as vaccine adjuvant: quest for the minimal domain of flagellin for TLR5 activation
Authors: Afzal Haroon , Murtaza Asad , Cheng Li-Ting
Published: January 2025

Flagellin stimulates Toll-like receptor 5 (TLR5), triggering both innate and adaptive immune responses, making it a potential vaccine adjuvant. On mucosal surfaces, flagellin induces a strong release of cytokines, chemokines, and immunoglobulins. When used in its free monomeric form, flagellin has been shown to enhance immune responses when combined with vaccine antigens. Further research demonstrated that genetically linking flagellin to the antigen provides a more consistent immune boost. However, the bulky structure of flagellin presents challenges in designing the antigen-adjuvant construct, leading to ongoing research to determine the minimal flagellin domain necessary for its adjuvant effect. Early findings suggest that only the D0 and D1 domains are required for immune enhancement. Functional analysis revealed that the TLR5-binding region is located in the D1 domain, while TLR5 dimerization and signaling require the presence of D0. Further reductions in the size of the D0 and D1 domains may be possible as deeper studies aim to identify the key residues responsible for TLR5 activation and immune enhancement. Additionally, flagellin is being tested as a hapten carrier alongside its established adjuvant role. Recently, significant advancements in flagellin application have been observed as it progresses through clinical studies as an adjuvant, anti-radiation, and anti-cancer agent.
Trajectories of Canadian Workers’ Well-Being During the Onset of the COVID-19 Pandemic
Authors: Pacheco Tyler , Coulombe Simon , Kocovski Nancy L.
Published: January 2025

Research regarding workers’ well-being over time during COVID-19 has primarily used variable-centered approaches (e.g., ANOVA) to explore changes in negative well-being. However, variable-centered approaches provide insufficient information on the different well-being experiences that diverse workers may have experienced during COVID-19. Furthermore, researchers have understudied positive well-being in workers’ general lives and work during COVID-19. We used latent trajectory analysis, a person-centered analysis, to explore diverse well-being trajectories Canadian workers experienced during the first few months of COVID-19 across distress, flourishing, presenteeism, and thriving at work measures. We hypothesized that: H1) Intragroup differences would be present on each well-being indicator at study onset; H2) Different longitudinal trajectories would emerge for each well-being indicator (i.e., some workers’ scores would get better, some would get worse, and some would remain the same); and H3) Factors at different ecological levels (self, social, workplace, pandemic) would predict membership to the different trajectories. Canadian workers (N = 648) were surveyed March 20-27th, April 3rd-10th, and May 20-27th of 2020. Depending on the well-being indicator, and supporting H1, three to five well-being trajectories were identified. Providing some support for H2, distress and presenteeism trajectories improved over time or stayed stagnant; flourishing and thriving at work trajectories worsened or stayed stagnant. Providing some support for H3, self- (gender, age, disability status, trait resilience), social- (family functioning), workplace- (employment status, financial strain, sense of job security), and pandemic-related (perceived vulnerability to COVID-19) factors significantly predicted well-being trajectory membership. Recommendations for diverse stakeholders (e.g., employers, mental health organizations) are discussed.
A Reconsideration of the Relationship Between Town Size and Well-Being in Latin America
Authors: Jantsch Antje , Piper Alan
Published: January 2025

In this study, we explore the relationship between town size and subjective well-being (SWB) in Latin America. We utilize data from the Latinobarómetro survey from 2005 to 2015, employing multilevel modeling to analyze individual responses to life satisfaction as an indicator of SWB. We refine the town size categories provided in the Latinobarómetro by cross-referencing the geographic information with the United Nations Demographic Yearbook, one of our main contributions, leaving us with more refined town size categories than previous research. Given previous theories, we also explore how education moderates the town size-SWB relationship. Our findings reveal that individuals in towns with populations between 10,000 and 500,000 report lower life satisfaction compared to those in smaller or larger towns. Controlling for national macroeconomic conditions reverses the positive association between SWB and living in a very large city. Furthermore, we find some support for the notion that highly-educated individuals are more satisfied than the low-educated in large cities. This study comprehensively underscores the importance of refining town size data and suggests avenues for future research to deepen collective understanding of the ‘geography of happiness’ in Latin America.
Modeling Solidification Microstructure in an Inoculated Aluminum 6061 Alloy Processed with Gas Metal Arc Directed Energy Deposition
Authors: Kleindienst Joe , Bagshaw Nick , Iten Jeremy , Klemm-Toole Jonah
Published: January 2025

The solidification microstructures of plain and inoculated 6061 aluminum builds manufactured with gas metal arc-directed energy deposition were studied with a combination of models and experiments. Electron back-scatter diffraction (EBSD) showed that the plain 6061 build had large, columnar grains with intergranular solidification cracking, while the inoculated build had a near-equiaxed, fine grain microstructure with no solidification cracks. By combining EBSD and energy dispersive spectrometry, the inoculated build has been shown to have exhibited globular growth while the non-inoculated build displayed a dendritic microstructure. A combination of heat transfer and modified grain morphology models were employed to predict the solidification morphology of the 6061 builds, which closely matched experimental results. A modification is proposed to the criterion marking the transition from globular to dendritic growth that better matches experimental results in this work. The results of this study are expected to provide improved methods to predict solidification microstructure for the development of new materials and processing parameters for additive manufacturing.
Childhood maltreatment, spiritual wellbeing, and stress-related growth in emerging adults: A conditional approach to responsibility
Authors: Arslan Gökmen
Published: January 2025

The current cross-sectional study aims to examine whether spiritual wellbeing mediates between childhood psychological maltreatment and stress-related growth in emerging adults. We also aim to investigate the moderating role of responsibility on the mediating effect of spiritual wellbeing between childhood maltreatment and stress-related growth. The sample of the study consisted of 501 undergraduate emerging adults from different public universities in Türkiye, with 66.5% of whom were female and aged between 18 and 25 years. Results showed that childhood psychological maltreatment had significant associations with responsibility, spiritual wellbeing, and growth. Additionally, spiritual wellbeing acted as a mediator between childhood maltreatment and stress-related growth in emerging adults. Further, the results indicated that responsibility moderated the mediating effect of spiritual wellbeing on the link between psychological maltreatment and stress-related growth. The study results underscore the mediating role of the spiritual wellbeing in the association between childhood maltreatment and stress-related growth and the protective role of a sense of responsibility in this mediating model. Overall, the findings highlight the importance of spiritual wellbeing and responsibility in promoting positive outcomes in emerging adults, particularly in the face of adverse childhood experiences.
Investigating Wire Electric-Discharge Machining (WEDM) Parameters for Improved Machining of D2 Steel: A Multi-Objective Optimization Study
Authors: Afridi Saif Ahmad , Younas Muhammad , Khan Zarak , Khan Aqib Mashood
Published: January 2025

Wire Electric-Discharge Machining (WEDM) represents a non-traditional approach to metal cutting, providing the advantage of precision manufacturing over conventional methods. In recent years, the metal machining industry has witnessed numerous benefits in terms of high speed and accuracy through the utilization of WEDM in both additive and subtractive manufacturing processes. This research focuses on studying the process parameters and their impact on surface roughness, energy consumption, kerf width, and material removal rates in Wire Electric-Discharge Machining of D2 steel. The Taguchi approach to experimental design (L16) was employed to conduct cutting experiments at varying levels of ON Time, OFF Time, Servo Voltage, and Wire Tension. Experimental results were optimized using ANOVA and Grey Relational Analysis to refine the process inputs and achieve performance measures that minimize surface roughness, power consumption, and kerf width while maximizing material removal rate. Statistical analysis revealed that ON Time is the most significant factor (73%) affecting both individual and multiple responses. The optimized model indicates that significant improvements can be simultaneously achieved in all response parameters by selecting the optimal combination of parameters. This not only enhances the part quality but contributes positively towards process sustainability and productivity.
Effect of Chemotherapy Patient Education Using the Teach-Back Method on Symptom Management and Quality of Life: A Randomized Controlled Trial
Authors: Gullu Gucuyener Belkis , Gulseven Karabacak Bilgi
Published: January 2025

This study aimed to evaluate the impact of the teach-back method in managing chemotherapy symptoms and improving quality of life. A secondary aim was to develop more effective care and education frameworks for cancer treatment. A single-center, randomized controlled trial was conducted with 80 patients who received chemotherapy between June 2022 and May 2023. Patients in the intervention group were educated about the chemotherapy process using the teach-back method, while those in the control group received standard education. Data were collected using a participant information form, the Edmonton Symptom Assessment Scale (ESAS), and the EQ-5D Quality of Life Scale. Statistical significance was accepted as p < 0.05 for all tests. In both groups, EQ-5D scores increased with the number of chemotherapy cycles, indicating a negative impact on quality of life. However, this increase was smaller in the intervention group. As the number of cycles increased, the intervention group scored lower on the Edmonton Symptom Assessment Scale compared to the control group. The results of the study show that using the teach-back method in patient education is effective in the management of chemotherapy-related symptoms and improving overall quality of life.
Identification of novel 3-dehydroquinate dehydratase (DHQD) inhibitors for anti-tuberculosis activity: insights from virtual screening, molecular docking, and dynamics simulations
Authors: Isa Mustafa Alhaji , Kappo Abidemi Paul
Published: January 2025

Tuberculosis (TB) remains a pressing global health concern, causing substantial mortality and morbidity despite existing drugs and vaccines. The escalating challenge of drug-resistant TB underscores the critical need for novel medications. This study focuses on the enzyme 3-hydroquinate dehydratase (DHQD) in the shikimate pathway of Mycobacterium tuberculosis (Mtb), essential for Mtb growth. Using an in silico approach, the crystal structure of DHQD complexed with 1,3,4-trihydroxy-5-(3-phenoxypropyl)-cyclohexane-1-carboxylic acid (CA) was obtained from the Protein Data Bank. After meticulous preparation, a diverse library of 9699 compounds from Zinc and PubChem databases was subjected to virtual screening, complying with Lipinski's rule of five and compounds capable of binding to DHQD with less binding energy. Molecular docking analysis identified eight compounds with highly favorable binding energies, ranging from -8.99 to -8.39 kcal/mol, surpassing CA's -4.93 kcal/mol. To assess their potential as inhibitors, these eight compounds were subjected to scrutiny for pharmacokinetic properties, encompassing Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET). Five compounds (ZINC14981770, ZINC14741224, ZINC14743698, ZINC13165465, and ZINC8442077) demonstrated desirable pharmacokinetic attributes and were selected for further investigation. Subsequent molecular dynamics (MD) simulations and molecular generalized born surface area (MM-GBSA) analyses were conducted. Molecular dynamics (MD) simulations showed that these five compounds formed stable complexes with DHQD over 50 ns, with root mean square deviation (RMSD) values ranging from 1.57 Å to 2.34 Å, indicating high structural stability. In addition, the MM-GBSA binding energy calculations showed that these compounds had favourable binding affinities, with ZINC14981770 exhibiting the lowest free binding energy of -32.70 kcal/mol, followed by ZINC14741224 at -29.67 kcal/mol and ZINC14743698 at -28.79 kcal/mol. These binding energies significantly outperformed the reference compound CA, which had a binding energy of -10.62 kcal/mol. Based on these findings; these five compounds hold promise as potent inhibitors of Mtb DHQD, pending validation through in vitro and in vivo experiments.
Changes in optical properties of aesthetic paediatric restorative materials following exposure to beverages: In-vitro study
Authors: Elkhatib A. A. , Elwardani G. E.
Published: January 2025

Purpose

Optical properties of recent aesthetic restorative materials must maintain an acceptable appearance throughout their functional lifetime. This study aimed to assess the changes in translucency and colour of recent resin-based restorative materials after exposure to beverages commonly consumed by children.

Methods

An experimental in-vitro study on 48 discs specimens prepared from; Group I: Filtek Z250 XT (Nanohybrid), Group II: Cention N (Alkasite bulkfill), and Group III: SDR flow Plus (Flowable bulkfill). The prepared disc specimens were randomly assigned into 4 subgroups (n = 12) according to the immersion solution: Subgroup A (control): distilled water, B: Coca-Cola, C: chocolate milk, and D: Orange juice. Translucency and colour measurements were done before immersion (baseline) and on day 30 of exposure. Statistical analysis involved Two Way Repeated Measures ANOVA and Kruskal–Wallis test.

Results

The statistical analysis revealed that the restorative material, immersion time, and immersion solution had a significant effect on the change in translucency (p < 0.0001*, p < 0.0001*, p = 0.001*, respectively). Regarding colour changes, different immersion solutions had a statistically significant effect on Filtek Z250 XT and Cention N (p < 0.0001*). Distilled water and Coca-Cola were found to have a significant effect on colour change for all restorative materials investigated (p < 0.0001*, p = 0.003*).

Conclusion

the optical properties of resin-based restorative materials used in paediatric dentistry were notably affected by prolonged exposure to beverages commonly consumed by children.