bluuebunny/crossref_metadata_2025 huggingface dataset:
Efficient Catalytic Degradation of Azo Dyes from Textile Wastewater by Nano and Micro Amorphous Alloys
Authors: Aslan Mikail , Kaya Abdulaziz , Eskalen Hasan , Kurşun Celal , Çeşme Mustafa , Gögebakan Musa
Published: February 2024

Azo dyes are known to cause environmental pollution and freshwater contamination, posing carcinogenic risks to human health. Consequently, researchers have directed their attention towards studying effective methods for removing these dyes from textile effluent. Amorphous alloys have emerged as a promising candidate for enhancing degradation efficiency on azo dyes, with various metallic alloys undergoing extensive investigation. Notably, the novel catalytic metallic materials exhibit significantly higher degradation performance compared to traditional options. Among the promising candidates are nanometallic alloys based on Fe, Mg, Co, Al, and Mn, which offer improved potential for cleaning diverse types of azo dyes from wastewater. The purpose of this review is to provide an update of the research regarding the use of amorphous alloys in azo dye degradation. The different production methods of amorphous alloys were discussed. The amorphous alloys used in dye degradation studies were subcategorized into three main types: Fe‐based, Mg‐based and some miscellaneous‐based amorphous alloys. Additionally, the study delves into the impact of crucial parameters, such as solution pH and initial dye concentration, providing valuable insights for the efficient treatment of wastewater.
Separation of TiO2 and Fe2O3 from Indonesia Ilmenite Minerals and their Application as Photocatalysts for Eriochrome Black‐T Dye Degradation
Authors: Putri Reza Audina , Arutanti Osi , Wardhani Sri , Hanz Putri Badria , Tursiloadi Silvester
Published: February 2024

Anatase‐TiO2 and α‐Fe2O3 were successfully separated from Indonesia ilmenite minerals using a modification of the hydrometallurgy process. Sodium salt was used as an initiated roasting before hydrochloric leaching. The study investigated parameters that affect separation such as mass ratios of sodium salt to ilmenite and leaching temperature. The results revealed that Ti composition in residue‐TiO2 increased to 76 % while Fe‐composition in filtrate‐Fe2O3 was 87 %. The XRD diffractogram analysis confirmed that main phase formed in residue of separation was anatase‐TiO2 whereas in hydrolysed of filtrate from separation was hematite. Both residue‐TiO2 and filtrate Fe2O3 had high thermal stability. The photocatalytic activity of anatase‐TiO2 and α‐Fe2O3 showed about 97 % and 85 % of Eriochrome Black‐T dye solution was degraded, respectively, when conducted to 4 hours of UV light irradiation. Photocatalytic kinetics study of anatase‐TiO2 and α‐Fe2O3 in degradation process followed pseudo‐first order with reaction rate at 0.0144 and 0.0070 min−1, respectively.
S‐Substituted Oxadiazoles: A Multi‐Faceted Approach to Synthesis, Enzyme Inhibition, and Antibacterial Properties
Authors: Siddiqui Sabahat Zahra , Abbasi Muhammad Athar , Aziz‐ur‐Rehman  , Solangi Mehwish , Ashraf Muhammad , Khan Khalid Mohammed
Published: February 2024

Antibiotic resistance (AR) is one of the most serious global health issues today. Antibiotic abuse in the medical, veterinary, and agricultural industries, including incorrect antibiotic prescribing, overuse in the livestock industry, and poor cleanliness practices in hospitals, all contribute to the emergence of AR. Antibacterial drugs are derived from bacteria or molds or are synthesized de novo. In the present study, S‐substituted derivatives of 5‐(4‐methoxyphenyl)‐1,3,4‐oxadiazole‐2‐thiol (6 a‐p) were synthesized, fully characterized, and assessed for their inhibitory potential against various Gram‐negative and positive bacterial strains. The compounds demonstrated potent inhibition activity against all selected bacterial strains P. aeroginosa (−), E. coli (−), K. pneumonae (−), S. typhi (−), S. aureus (+), and B. subtilis (+) in comparison to standard ciprofloxacin drug. Among the synthesized derivatives, compounds 6 e and 6 o exhibited high selectivity and potency against the S. typhi (−) strain. The library 6 a‐o was also evaluated for in vitro chymotrypsin enzyme inhibitory activity, and all derivatives displayed weak inhibition potential in contrast to standard chymostatin (IC50 = 8.24±0.11 μM). Studies such as this one may aid in designing and discovering potential antibacterial agents for treating various bacterial infections.
Fischer indolization of terpenes and steroids
Authors: Kotha Sambasivarao , Meher Punam
Published: February 2024

Here we report a new synthetic approach to several intricate indoles and hydrazones starting with commercially available terpenes and steroids via Fischer indolization (FI) sequence under deep eutectic solvents (DES) conditions or by employing acetic acid reflux conditions. During the course of the reaction with pulegone 22 and pipertone 25 we observed Fischer indolization along with aromatization is occurring. In another instance, with thujone 32 we found cyclopropane ring is opening under thermal conditions leading to aromatized Fischer indole product. We also studied the FI sequence of some diketo derivatives to synthesize the corresponding bis indole derivatives, but instead we obtained mono hydrazone derivative which can be explained on the basis of steric reasons. In addition, we also modified other terpenes to study the FI sequence where we realized the formation of both hydrazone and indole derivatives. All the compounds synthesized here are well characterized by NMR and HRMS data.
Recent Progress of Transition Metal Selenides for Electrochemical Oxygen Reduction to Hydrogen Peroxide: From Catalyst Design to Electrolyzers Application
Authors: Wang Yingnan , Han Caidi , Ma Li , Duan Tigang , Du Yue , Wu Jinting , Zou Ji‐Jun , Gao Jian , Zhu Xiao‐Dong , Zhang Yong‐Chao
Published: February 2024

Hydrogen peroxide (H2O2) is a highly value‐added and environmental‐friendly chemical with various applications. The production of H2O2 by electrocatalytic 2e− oxygen reduction reaction (ORR) has emerged as a promising alternative to the energy‐intensive anthraquinone process. High selectivity Catalysts combining with superior activity are critical for the efficient electrosynthesis of H2O2. Earth‐abundant transition metal selenides (TMSs) being discovered as a classic of stable, low‐cost, highly active and selective catalysts for electrochemical 2e− ORR. These features come from the relatively large atomic radius of selenium element, the metal‐like properties and the abundant reserves. Moreover, compared with the advanced noble metal or single‐atom catalysts, the kinetic current density of TMSs for H2O2 generation is higher in acidic solution, which enable them to become suitable catalyst candidates. Herein, the recent progress of TMSs for ORR to H2O2 is systematically reviewed. The effects of TMSs electrocatalysts on the activity, selectivity and stability of ORR to H2O2 are summarized. It is intended to provide an insight from catalyst design and corresponding reaction mechanisms to the device setup, and to discuss the relationship between structure and activity.
Trace Y Doping Regulated Bulk/Interfacial Reactions of P2‐Layered Oxides for Ultrahigh‐Rate Sodium‐Ion Batteries
Authors: Li Yong , Shi Qinhao , Yu Xuan , Ning Fanghua , Liu Guoliang , Wang Xuan , Wang Juan , Xu YunHua , Zhao Yufeng
Published: February 2024

P2‐phase layered cathodes play a pivotal role in sodium‐ion batteries due to their efficient Na+ intercalation chemistry. However, limited by crystal disintegration and interfacial instability, bulk and interfacial failure plague their electrochemical performance. To address these challenges, a structural enhancement combined with surface modification is achieved through trace Y doping. Based on a synergistic combination of experimental results and density functional theory (DFT) calculations, the introduction of partial Y ions at the Na site (2d) acts as a stabilizing pillar, mitigating the electrostatic repulsions between adjacent TMO2 slabs and thereby relieving internal structural stress. Furthermore, the presence of Y effectively optimizes the Ni 3d‐O 2p hybridization, resulting in enhanced electronic conductivity and a notable rapid charging ability, with a capacity of 77.3 mA h g−1 at 40 C. Concurrently, the introduction of Y also induces the formation of perovskite nano‐islands, which serve to minimize side reactions and modulate interfacial diffusion. As a result, the refined P2‐Na0.65 Y0.025[Ni0.33Mn0.67]O2 cathode material exhibits an exceptionally low volume variation (≈1.99%), an impressive capacity retention of 83.3% even at −40 °C after1500 cycles at 1 C.
On the interaction between the search parameters and the nature of the search problems in search‐based model‐driven engineering
Authors: Roca Isis , Font Jaime , Arcega Lorena , Cetina Carlos
Published: February 2024

The use of search‐based software engineering to address model‐driven engineering activities (SBMDE) is becoming more popular. Many maintenance tasks can be reformulated as a search problem, and, when those tasks are applied to software models, the search strategy has to retrieve a model fragment. There are no studies on the influence of the search parameters when applied to software models. This article evaluates the impact of different search parameter values on the performance of an evolutionary algorithm whose population is in the form of software models. Our study takes into account the nature of the model fragment location problems (MFLPs) in which the evolutionary algorithm is applied. The evaluation searches 1895 MFLPs (characterized through five measures that define MFLPs) from two industrial case studies and uses 625 different combinations of search parameter values. The results show that the impact on the performance when varying the population size, the replacement percentage, or the crossover rate produces changes of around 30% in performance. With regard to the nature of the problems, the size of the search space has the largest impact. Search parameter values and the nature of the MFLPs influence the performance when applying an evolutionary algorithm to perform fragment location on models. Search parameter values have a greater effect on precision values, and the nature of the MFLPs has a greater effect on recall values. Our results should raise awareness of the relevance of the search parameters and the nature of the problems for the SBMDE community.
Preparation and characterization of vinyl silica‐supported surface molecularly imprinted polymers coupled with liquid chromatography‐mass spectrometry for extraction of prostaglandin analogs from cosmetic products
Authors: Shahzad Aqeel , Batool Farzana , Bashir Kamran , Xu Jiameng , Fu Qiang
Published: February 2024

Prostaglandin analogs (PGAs) are commonly used to treat ocular hypertension and glaucoma patients. Nowadays, the use of PGAs enhances eyelashes in cosmetics, particularly in the condition of hypotrichosis. A method was developed in which surface molecularly imprinted polymers were synthesized for selective extraction of PGAs (bimatoprost, latanoprost, and travoprost) by using bimatoprost as template molecules which were coupled with liquid chromatography‐mass spectrometry (LC‐MS) system. Scanning electron microscopy and Fourier‐transform infrared spectroscopy techniques were used to study the morphological and physical characterization. The adsorption selectivity studies showed the high selectivity of PGAs. The adsorption capacities of bimatoprost, latanoprost, and travoprost were 93.8, 92.3, and 91.5 μg/g, respectively. The recoveries and precision of samples at three concentration levels (10–30 ng/mL) of bimatoprost, latanoprost, and travoprost were tested (98.5%–102.5%, 1.2%–4.5%, n = 3). The % relative standard deviation for repeatability of the method for bimatoprost, latanoprost, and travoprost ranged from 1.8 to 5.6, 1.5 to 4.8, and 1.6 to 5.2, respectively. While the limit of detection for bimatoprost, latanoprost, and travoprost was 0.20, 0.25, and 0.45 ng/mL, respectively. The method of surface molecularly imprinted polymer coupled with LC‐MS was successfully applied to cosmetic products for selective extraction of PGAs.
A brief history of amyloid aggregation simulations
Authors: Fatafta Hebah , Khaled Mohammed , Kav Batuhan , Olubiyi Olujide O. , Strodel Birgit
Published: February 2024

Amyloid proteins are characterized by their tendency to aggregate into amyloid fibrils, which are often associated with devastating diseases. Aggregation pathways typically involve unfolding or misfolding of monomeric proteins and formation of transient oligomers and protofibrils before the final aggregation product is formed. The conformational dynamics and polymorphic and volatile nature of these aggregation intermediates make their characterization by experimental techniques alone insufficient and also require computational approaches. Over the past 25 years, the size of simulated amyloid aggregation systems and the length of these simulations have increased significantly. These advances are discussed here. The review includes simulation approaches that model the aggregating peptides or proteins at both the all‐atom and coarse‐grained levels, use molecular dynamics simulations or Monte Carlo sampling to simulate the conformational changes, and present results for various amyloid peptides and proteins ranging from Lys‐Phe‐Phe‐Glu (KFFE) as the smallest system to as an intermediate‐sized peptide to α‐synuclein. The presentation of the history of amyloid aggregation simulations concludes with a discussion of where the future of these simulations may lie.

This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics

Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods
Fostering Innovation by Utilising Big Data: The Data Act and the Risk of Quasi-Exclusivity Reinforcing Data Lockups
Authors: Stuhldreier Marc A.
Published: February 2024

In the digital economy, data has become a valuable asset and a crucial resource for driving innovation and progress. While large amounts of data are collected on a daily basis, only a small amount of this data is actually processed and utilised. As the data may still be of considerable worth in the future, it is guarded and oftentimes “locked away” by those who collect it. This is particularly regrettable considering the importance of data accessibility for innovative research activities. The unlocking of unused data has thus become a key concern for technological development in crucial areas including, but not limited to sustainable agriculture and medical technology. This Chapter addresses the European Data strategy and particularly the EU Data Act as adopted by the Council on 15 November 2023. One of the key objectives of the Data Act is to facilitate data access and improve the re-utilisation of available user-generated data. However, initial research raised concerns about the efficacy of the Data Act in this regard. While there exists no general ownership right to data, the Data Act may legally strengthen the de-facto control of data collectors, thereby establishing a quasi-exclusive right to this data. If not appropriately balanced, exclusive rights, however, limit access and tend to create obstacles for innovative endeavours. In this respect, the Chapter considers whether the Data Act is successful in striking an adequate balance between the rights and obligations of the various stakeholders in user-generated data. The Chapter highlights shortcomings of the European Data Strategy and addresses whether the Data Act provides for sufficient accessibility to facilitate that data can be re-used for innovation activity toward societal objectives.
Mittlerer Meeresspiegelanstieg und Sturmfluten
Authors: Weisse Ralf , Meinke Insa
Published: February 2024

In Norddeutschland ist der Anstieg des mittleren Meeresspiegels eine der deutlichsten bereits messbaren Folgen des Klimawandels. An allen untersuchten Pegeln der deutschen Nord- und Ostseeküste lässt sich dieser Anstieg nachvollziehen. So zeigen die Auswertungen der Wasserstandsdaten, dass der mittlere Meeresspiegel an unseren Küsten in den letzten einhundert Jahren (1921–2020) etwa ein bis zwei Millimeter pro Jahr angestiegen ist. Dies entspricht in etwa dem globalen mittleren Meeresspiegelanstieg im selben Zeitraum. Für die letzten Jahrzehnte dokumentiert der Weltklimarat IPCC eine Beschleunigung des globalen mittleren Meeresspiegelanstiegs. An den Pegeln der deutschen Küsten lässt sich bisher keine systematische Beschleunigung nachweisen. Zwar steigt der mittlere Meeresspiegel an einigen Pegeln derzeit schneller als im langjährigen Durchschnitt, jedoch liegen die derzeitigen Anstiegsraten noch im normalen Bereich und sind oft vergleichbar mit vergangenen Zeiträumen, in denen der mittlere Meeresspiegel zum Teil sogar noch schneller stieg. Klimaszenarien deuten darauf hin, dass der globale mittlere Meeresspiegel künftig immer schneller steigen kann, insbesondere bei anhaltend hohem Treibhausgasausstoß. Verschiedene Studien weisen darauf hin, dass der künftige Meeresspiegelanstieg an unseren Küsten sich nur unwesentlich vom globalen Mittel unterscheiden wird und dass je nach zugrundeliegendem Szenario mit Anstiegen im Bereich von 30 bis 110 cm zum Ende des Jahrhunderts zu rechnen ist.
On the moduli space curvature at infinity
Authors: Marchesano Fernando , Melotti Luca , Paoloni Lorenzo
Published: February 2024

Abstract

We analyse the scalar curvature of the vector multiplet moduli space $$ {\mathcal{M}}_X^{\textrm{VM}} $$

M
X
VM

of type IIA string theory compactified on a Calabi-Yau manifold X. While the volume of $$ {\mathcal{M}}_X^{\textrm{VM}} $$

M
X
VM

is known to be finite, cases have been found where the scalar curvature diverges positively along trajectories of infinite distance. We classify the asymptotic behaviour of the scalar curvature for all large volume limits within $$ {\mathcal{M}}_X^{\textrm{VM}} $$

M
X
VM

, for any choice of X, and provide the source of the divergence both in geometric and physical terms. Geometrically, there are effective divisors whose volumes do not vary along the limit. Physically, the EFT subsector associated to such divisors is decoupled from gravity along the limit, and defines a rigid $$ \mathcal{N} $$
N
= 2 field theory with a non-vanishing moduli space curvature Rrigid. We propose that the relation between scalar curvature divergences and field theories decoupled from gravity is a common trait of moduli spaces compatible with quantum gravity.
Black hole thermodynamics in natural variables: quadrophenia
Authors: Hristov Kiril
Published: February 2024

Abstract

It was recently observed in [1] for thermal Kerr-Newman black holes in 4d flat space that one can rewrite the conventional thermodynamics on the inner and outer horizons in terms of left- and right-moving variables with a remarkable simplification of the corresponding expressions. With the goal of illustrating the wide applicability of these newly proposed natural variables, we extend the original observation in four independent directions that can be further superimposed on each other. These four generalizations can be thought of as different deformations of the original 4d Einstein-Maxwell theory, all within the framework of supergravity: higher derivative (HD) corrections in minimal 4d supergravity; additional scalar and vector couplings in matter-coupled 4d supergravity; higher dimensions, in particular 5d minimal supergravity; and a cosmological constant in 4d minimal gauged supergravity with Anti-de Sitter (AdS) vacuum. Each of these generalizations offers a different lesson about the novel thermodynamics, and we pay special attention to the respective BPS limits that can be understood from fixed point formulae, demonstrating the power of the natural variables to capture the full phase space.
Cosmological phase transitions and the swampland
Authors: Venken Gerben
Published: February 2024

Abstract

I consider the Festina Lente Swampland bound and argue taking thermal effects, as for instance occur during reheating, into account significantly strengthens the implications of this bound. I argue that the confinement scale should be higher than a scale proportional to the vacuum energy, while Festina Lente without thermal effects only bounds the confinement scale to be above the Hubble scale. For Higgsing of nonabelian gauge fields, I find that the magnitude of the Higgs mass should be heavier than a bound proportional to the Electroweak scale (or generally the scale set by the Higgs VEV). The measured values of the Higgs in the SM satisfy the bound. A way to avoid the bound being violated during inflation is to have a large number of species becoming light. If one wants the inflationary scale to lie below the species scale in this case, this bounds the inflationary scale to be ≪ 105 GeV. These bounds have phenomenological implications for BSM physics such as GUTs, suggesting for example a weak or absent gravitational wave signature from the GUT Higgsing phase transition.
Higher derivative corrections to string inflation
Authors: Cicoli Michele , Licheri Matteo , Piantadosi Pellegrino , Quevedo Fernando , Shukla Pramod
Published: February 2024

Abstract

We quantitatively estimate the leading higher derivative corrections to $$ \mathcal{N} $$
N
= 1 supergravity derived from IIB string compactifications and study how they may affect moduli stabilisation and LVS inflation models. Using the Kreuzer-Skarke database of 4D reflexive polytopes and their triangulated Calabi-Yau database, we present scanning results for a set of divisor topologies corresponding to threefolds with 1 ≤ h1,1 ≤ 5. In particular, we find several geometries suitable to realise blow-up inflation, fibre inflation and poly-instantons inflation, together with a classification of the divisors topologies for which the leading higher derivative corrections to the inflationary potential vanish. In all other cases, we instead estimate numerically how these corrections modify the inflationary dynamics, finding that they do not destroy the predictions for the main cosmological observables.
Antimicrobial residues in meat from chickens in Northeast Vietnam: analytical validation and pilot study for sampling optimisation
Authors: Hedges Sophie , Pelligand Ludovic , Chen Liwei , Seow Kelyn , Hoang Thuy Thi , Luu Huong Quynh , Dang Son Thi Thanh , Pham Ngoc Thi , Pham Hoa Thi Thanh , Cheah Yeong Cheng , Wang Yulan , Hurtaud-Pessel Dominique , Conan Anne , Fournié Guillaume , Blake Damer , Tomley Fiona , Conway Patricia L.
Published: February 2024

Antimicrobials used in chicken farming for therapeutic and/or prophylactic purposes may result in unacceptable levels of edible residues, if withdrawal periods are not respected. To evaluate the risk in Vietnam, we validated an analytical method to detect antimicrobial residues from chicken meat samples and carried out a pilot cross-sectional study to identify optimal sampling strategies. A total of 45 raw meat samples were collected from 4 markets, 1 slaughterhouse and 4 farms (5 per site) in Northern Vietnam, between March and April 2021. Farmers were asked about antimicrobials used during sampled production cycles (5 chickens sampled per batch). Samples were analysed using liquid chromatography-tandem mass spectrometry for the presence of 68 antimicrobials at a pre-defined validation concentration. 7 compounds were identified from 4 classes (tetracyclines, sulphonamides, macrolides, and fluoroquinolones). In markets, where the source of sampled chickens was unknown, a diverse pool of residual antimicrobials was detected in 20% (4/20) of the meat samples. No residues were detected in samples from the slaughterhouse. No residues were detected in chickens from the one farm that reported using antimicrobials, whereas sulfadimethoxine, doxycycline and tilmicosin residues were identified from the other 3 farms reporting no antimicrobial use. The probability of detecting antimicrobial residues present in a flock based on sampling a single chicken was estimated at 0.93 (highest density interval 0.735–0.997). The preliminary results suggest a disparity between farmers’ reports on antimicrobial drug use and actual usage, and that the analysis of a single sample per farm has a high probability of detecting antimicrobial residues, if present.
The insulin resistant brain: impact on whole-body metabolism and body fat distribution
Authors: Heni Martin
Published: February 2024

Insulin exerts its actions not only on peripheral organs but is also transported into the brain where it performs distinct functions in various brain regions. This review highlights recent advancements in our understanding of insulin’s actions within the brain, with a specific emphasis on investigations in humans. It summarises current knowledge on the transport of insulin into the brain. Subsequently, it showcases robust evidence demonstrating the existence and physiological consequences of brain insulin action, while also introducing the presence of brain insulin resistance in humans. This pathophysiological condition goes along with an impaired acute modulation of peripheral metabolism in response to brain insulin action, particularly in the postprandial state. Furthermore, brain insulin resistance has been associated with long-term adiposity and an unfavourable adipose tissue distribution, thus implicating it in the pathogenesis of subgroups of obesity and (pre)diabetes that are characterised by distinct patterns of body fat distribution. Encouragingly, emerging evidence suggests that brain insulin resistance could represent a treatable entity, thereby opening up novel therapeutic avenues to improve systemic metabolism and enhance brain functions, including cognition. The review closes with an outlook towards prospective research directions aimed at further elucidating the clinical implications of brain insulin resistance. It emphasises the critical need to establish feasible diagnostic measures and effective therapeutic interventions.

Graphical Abstract
Polyphenol exposure of mothers and infants assessed by LC–MS/MS based biomonitoring in breast milk
Authors: Berger Sabrina , Oesterle Ian , Ayeni Kolawole I. , Ezekiel Chibundu N. , Rompel Annette , Warth Benedikt
Published: February 2024

Exposure to polyphenols is relevant throughout critical windows of infant development, including the breastfeeding phase. However, the quantitative assessment of polyphenols in human breast milk has received limited attention so far, though polyphenols may positively influence infant health. Therefore, a targeted LC–MS/MS assay was developed to investigate 86 analytes representing different polyphenol classes in human breast milk. The sample preparation consisted of liquid extraction, salting out, freeze-out, and a dilution step. Overall, nearly 70% of the chemically diverse polyphenols fulfilled all strict validation criteria for full quantitative assessment. The remaining analytes did not fulfill all criteria at every concentration level, but can still provide useful semi-quantitative insights into nutritional and biomedical research questions. The limits of detection for all analyzed polyphenols were in the range of 0.0041–87 ng*mL−1, with a median of 0.17 ng*mL−1. Moreover, the mean recovery was determined to be 82% and the mean signal suppression and enhancement effect was 117%. The developed assay was applied in a proof-of-principle study to investigate polyphenols in breast milk samples provided by twelve Nigerian mothers at three distinct time points post-delivery. In total, 50 polyphenol analytes were detected with almost half being phenolic acids. Phase II metabolites, including genistein-7-β-D-glucuronide, genistein-7-sulfate, and daidzein-7-β-D-glucuronide, were also detected in several samples. In conclusion, the developed method was demonstrated to be fit-for-purpose to simultaneously (semi-) quantify a wide variety of polyphenols in breast milk. It also demonstrated that various polyphenols including their biotransformation products were present in breast milk and therefore likely transferred to infants where they might impact microbiome development and infant health.

Graphical abstract
Feasible CT features to distinguish incidental rib enhancement from sclerotic metastasis in patients with malignancies
Authors: Yang Qiuxia , Xu Jiahui , Zhou Jianyao , Liu Qiulin , Mai Zhijun , Xie Hui , Ban Xiaohua , Liu Lizhi , Zhang Rong
Published: February 2024

Objective

To investigate the CT features of incidental rib enhancement (RE) and to summarize the CT characteristics for distinguishing the RE from sclerotic metastasis (SM) in patients with malignancies.

Material and methods

This retrospective observational study enrolled 79 patients with RE (involved 133 ribs) during October 2014 and December 2021. Another 53 patients with SM (160 SM) in the same period were selected randomly for comparison. The location, enhancement patterns of RE were reviewed. The CT values of RE regions and SM were measured and statistically analyzed.

Results

Most REs (70 patients, 88.6%) were in the 1st to 6th ribs. 50 patients had solitary RE and 29 with multiple REs in a regional distribution. All the REs were closely connected to the intercostal venous plexus (ICVP) ipsilateral to the injection site. No visible abnormalities on unenhanced scans were detected in all REs. One hundred and twenty REs (90.2%) had nodular/patchy enhancement. The CT value of RE regions in the venous phase was lower than that in the arterial phase (589.8 ± 344.2 HU versus 1188.5 ± 325.3 HU, p < 0.001). During the venous phase, most REs (125, 94.0%) shrank or disappeared. SM appeared similar on both contrast-enhanced and unenhanced scans in terms of shape and CT values.

Conclusion

The RE demonstrated characteristic CT features. The manifestations of nodular/patchy enhancement in the arterial phase, decreased density and shrinkage or disappearance during the venous phase, and no abnormality on unenhanced scans, as well as a close connection with the ICVP, may help differentiate RE from SM.
Thermodynamic analysis of production parameters and microstructural evolution in shape memory Ni(50-x)Ti(50)Fe(x) (x = 5, 10) alloy synthesized by combustion synthesis
Authors: Keskin Berk , Derin Bora
Published: February 2024

This study represents an initial effort to produce NiTiFe shape memory alloys via the self-propagating high-temperature synthesis (SHS) process. The synthesis successfully yielded Ni45Ti50Fe5 and Ni40Ti50Fe10 alloys from elemental Ni, Ti, and Fe powders at three distinct preheating temperatures (240, 330, 420 °C). To support empirical findings, thermodynamic analysis using Factsage Thermodynamic Software was employed to correlate reaction propagation behavior with chemical composition. The calculation showed that the addition of 5 at.% Fe to the B2 phase did not hinder reaction self-propagation. This conclusion was supported with the ∆Hf/Cp ratio and transient liquid ratio, computed using the sub-lattice model, which closely resembled that of NiTi. Whereas 10 at.% Fe that synthesized at preheating temperature of 240 °C exhibits struggle, thus an increase in triggering time causes an effect on crystallite size and a decrease in porosity. Empirical results confirmed these findings, albeit influenced by ignition times. An increase in the liquid ratio due to the adiabatic temperature rise can also result in a reduction of NiTi content when the Fe ratio is increased, consequently diminishing the driving force for the reaction. In the sample containing  – 5% Fe, the main phase is B2, and the R martensitic phase is also present. Ms is determined to be  – 38.7 °C. SEM analyses revealed the presence of Ti2Ni and Ti2Ni3 phases in the upper and lower regions, while the distribution in the middle section is more homogeneous. No martensitic transformation was observed in 10% Fe. Additionally, nanocrystalline regions were detected within the samples by transmission electron microscopy, contributing to a nuanced understanding of their structural properties.

Graphic abstract
Sex differences in laterality of motor unit firing behavior of the first dorsal interosseous muscle in strength-matched healthy young males and females
Authors: Nishikawa Yuichi , Watanabe Kohei , Holobar Aleš , Kitamura Ryoka , Maeda Noriaki , Hyngstrom Allison S.
Published: February 2024

Purpose

The purpose of this study was to compare laterality in motor unit firing behavior between females and males.

Methods

Twenty-seven subjects (14 females) were recruited for this study. The participants performed ramp up and hold isometric index finger abduction at 10, 30, and 60% of their maximum voluntary contraction (MVC). High-density surface electromyography (HD-sEMG) signals were recorded in the first dorsal interosseous (FDI) muscle and decomposed into individual motor unit (MU) firing behavior using a convolution blind source separation method.

Results

In total, 769 MUs were detected (females, n = 318 and males, n = 451). Females had a significantly higher discharge rate than males at each relative torque level (10%: male dominant hand, 13.4 ± 2.7 pps vs. female dominant hand, 16.3 ± 3.4 pps; 30%: male dominant hand, 16.1 ± 3.9 pps vs. female dominant hand, 20.0 ± 5.0 pps; and 60%: male dominant hand, 19.3 ± 3.8 vs. female dominant hand, 25.3 ± 4.8 pps; p < 0.0001). The recruitment threshold was also significantly higher in females than in males at 30 and 60% MVC. Furthermore, males exhibited asymmetrical discharge rates at 30 and 60% MVC and recruitment thresholds at 30 and 60% MVC, whereas no asymmetry was observed in females.

Conclusion

In the FDI muscle, compared to males, females exhibited different neuromuscular strategies with higher discharge rates and recruitment thresholds and no asymmetrical MU firing behavior. Notably, the findings that sex differences in neuromuscular activity also occur in healthy individuals provide important information for understanding the pathogenesis of various diseases.
Autofluorescence imaging of exuviae as a tool for studying slide preparations of micro-arthropods, exemplified by a museum collection of the enigmatic crustacean “y-larvae” (Pancrustacea: Facetotecta)
Authors: Olesen Jørgen , Grygier Mark J. , Herranz Maria
Published: February 2024

In recent years, fluorescence microscopy has revitalized the study of invertebrate comparative morphology. Here we explore the usefulness of combining confocal laser scanning microscopy (CLSM) and cuticular autofluorescence to examine the taxonomically challenging marine planktonic “y-larvae” (Pancrustacea: Facetotecta). To gauge the effectiveness of CLSM with autofluorescence in producing taxonomically useful images, we applied it to seven distinct y-naupliar species or morphospecies that had previously undergone scrutiny by other techniques. The specimens were part of a museum collection of glycerin-jelly slides of exuviae of last-stage y-nauplii, a key instar for studying the taxonomy of y-larvae. For Hansenocaris demodex, the level of detail obtained from a single specimen was comparable to that previously obtained by scanning electron microscopy (SEM). For Hansenocaris aquila, revisiting the original holotype specimen resulted in a dramatic increase in our understanding of the species’ morphology, including taxonomically pivotal information about its spinose labrum and a digitally rotated lateral view. CLSM analyses of the other five specimens, which represented a broad spectrum of y-naupliar morphology, efficiently generated more such information. Novel observations were made concerning putative external rudiments of both the first and second maxillae in late nauplii as well as the extreme dorso-ventral flattening of some naupliar types. CLSM observation of museum slides of naupliar exuviae using cuticular autofluorescence thus shows great promise of becoming an excellent tool for studying the morphology and taxonomy of y-larvae, and we suggest that this technique might also profitably be applied to other forms of larval exuviae.
A numerical model for chemo-thermo-mechanical coupling at large strains with an application to thermoresponsive hydrogels
Authors: Brunner Florian , Seidlhofer Tristan , Ulz Manfred H.
Published: February 2024

The aim of this work is the derivation and examination of a material model, accounting for large elastic deformations, coupled with species diffusion and thermal effects. This chemo-thermo-mechanical material model shows three key aspects regarding its numerical formulation. Firstly, a multiplicative split of the deformation gradient into a mechanical, a swelling and a thermal part. Secondly, temperature-scaled gradients for a numerical design comprising symmetric tangents and, thirdly, dissipation potentials for the modelling of dissipative effects. Additionally, the derived general material model is specialised to thermoresponsive hydrogels to study its predictive capabilities for a relevant example material class. An appropriate finite element formulation is established and its implementation discussed. Numerical examples are investigated, including phase transition and stability phenomena, to verify the ability of the derived chemo-thermo-mechanical material model to predict relevant physical effects properly. We compare our results to established models in the literature and discuss emerging deviations.
Simultaneous instance pooling and bag representation selection approach for multiple-instance learning (MIL) using vision transformer
Authors: Waqas Muhammad , Tahir Muhammad Atif , Author Muhammad Danish , Al-Maadeed Sumaya , Bouridane Ahmed , Wu Jia
Published: February 2024

In multiple-instance learning (MIL), the existing bag encoding and attention-based pooling approaches assume that the instances in the bag have no relationship among them. This assumption is unsuited, as the instances in the bags are rarely independent in diverse MIL applications. In contrast, the instance relationship assumption-based techniques incorporate the instance relationship information in the classification process. However, in MIL, the bag composition process is complicated, and it may be possible that instances in one bag are related and instances in another bag are not. In present MIL algorithms, this relationship assumption is not explicitly modeled. The learning algorithm is trained based on one of two relationship assumptions (whether instances in all bags have a relationship or not). Hence, it is essential to model the assumption of instance relationships in the bag classification process. This paper proposes a robust approach that generates vector representation for the bag for both assumptions and the representation selection process to determine whether to consider the instances related or unrelated in the bag classification process. This process helps to determine the essential bag representation vector for every individual bag. The proposed method utilizes attention pooling and vision transformer approaches to generate bag representation vectors. Later, the representation selection subnetwork determines the vector representation essential for bag classification in an end-to-end trainable manner. The generalization abilities of the proposed framework are demonstrated through extensive experiments on several benchmark datasets. The experiments demonstrate that the proposed approach outperforms other state-of-the-art MIL approaches in bag classification.
Fabrication of new Mn-based MXene structure from MnO2 for electrochemical energy storage applications
Authors: Eraky Mostafa S. , El-Sadek Mohamed , Shenouda Atef Y. , Sanad Moustafa M. S.
Published: February 2024

MXene compound of Mn7C3 was successfully prepared using combined mechanical, thermal, and leaching processes. A mixture of MnO2, Al, and black C with stoichiometric ratios 3:5:2 was mechanically activated in the ball mill for 5 h. Thermal treatment at 1000 °C was applied to this mixture. Magnetic separation was used to separate Mn3AlC2 from Al2O3. After that, Al was leached from Mn3AlC2 using 15% HF. SEM investigation indicated the formation of Mxene (Mn7C3) particles as aligned sheet-like structure and particle size distribution range of 110–145 nm. The obtained MXene compounds were used as an active material vs. lithium metal and assembled in a coin cell. The electrochemical assessment of this cell was carried out using galvanostatic cycling, electrochemical impedance spectroscopy, and cyclic voltammetry techniques. MXene (Mn7C3) cell showed better performance with charge capacity by preserving about 150 mAh g−1 after 100 cycles. The coulombic efficiency of the cell is approaching 99.2% after long cycles.

Graphical abstract
Skeletal stability after maxillary distraction osteogenesis or conventional Le Fort I osteotomy in patients with cleft lip and palate: A superimposition-based cephalometric analysis
Authors: Lundberg Joakim , Al-Taai Nameer , Levring Jäghagen Eva , Ransjö Maria , Sjöström Mats
Published: February 2024

Purpose

The aim was to assess skeletal stability after maxillary advancement using either distraction osteogenesis (DO) or conventional Le Fort I osteotomy (CO) in patients with cleft lip and palate (CLP) or cleft palate (CP) utilising a new superimposition-based cephalometric method.

Method

This retrospective study included patients who were treated with DO (N = 12) or CO (N = 9). Sagittal and vertical changes after surgery, and skeletal stability at 18 months post-operatively were assessed with superimposition-based cephalometry, comparing lateral cephalograms performed pre-operatively (T0), post-operatively after CO or immediately after completed distraction in DO (T1), and at 18 months of follow-up (T2).

Results

The mean sagittal movements from T0 to T2 in the DO and CO groups were 5.9 mm and 2.2 mm, respectively, with a skeletal relapse rate of 16% in the DO group and 15% in the CO group between T1 and T2. The vertical mean movement from T0 to T2 in the DO and CO groups was 2.8 mm and 2.0 mm, respectively, and the skeletal relapse rate between T1 and T2 was 36% in the DO group and 32% in the CO group.

Conclusion

Sagittal advancement of the maxilla was stable, in contrast to the vertical downward movement, which showed more-extensive relapse in both groups. Despite more-extensive maxillary advancement in the DO group, the rates of skeletal relapse were similar.
Analysis of the relationship between tourism, green technological innovation and environmental quality in the top 15 most visited countries: evidence from method of moments quantile regression
Authors: Avcı Pınar , Sarıgül Sevgi Sümerli , Karataşer Büşra , Çetin Murat , Aslan Alper
Published: February 2024

Global warming, climate change and environmental pollution are considered among the important developments that threaten all world economies. In this context, the transition to a zero-emission economy remains one of the environmental sustainability goals of policymakers. The literature investigating the tourism-environmental pollution relationship has limited emphasis on the role of green technological innovation. Therefore, this study explores the effect of tourism and green technological innovation on CO2 emissions in top 15 most visited countries during the period of 1995–2019. Renewable energy consumption, financial development and economic growth are integrated into the CO2 emissions equation as control variables. The cointegration tests verify the existence of a cointegration between variables. The long-run estimaters reveal that tourism, green technological innovation and renewable energy consumption serve to improve environmental quality by reducing CO2 emissions. Contrary to these findings, financial development and economic growth play a role in the increase of CO2 emissions implying a deterioration in environmental quality. The bootstrap causality analysis points to a bidirectional causality between tourism and CO2 emissions and between green technological innovation and CO2 emissions. The findings will make important contributions to policy makers in these countries in meeting their CO2 emissions reduction targets.

Graphical Abstract
Social contact patterns with acquaintances and strangers related to influenza in the post-pandemic era
Authors: Yang Mengya , Chen Can , Zhang Xiaobao , Cao Kexin , Du Yuxia , Jiang Daixi , Yan Rui , Wu Xiaoyue , Chen Mengsha , You Yue , Zhou Wenkai , Chen Dingmo , Qi Jiaxing , Yang Shigui
Published: February 2024

Aim

To investigate the social contact patterns of Chinese residents in the post COVID-19 pandemic period, explore the associations between the different contact patterns and incidence of influenza.

Subject and methods

A cross-sectional social contact survey was conducted on Chinese residents from December 9, 2021, to January 20, 2022. The contact was divided into participant–acquaintance (P–A) and participant–stranger (P–S), and the generalized linear model (GLM) was used to explore their impact on the incidence of influenza.

Results

The contact frequency of P–S was higher than that of P–A (3.41 V.S. 1.94), but the average contact duration of P–S was much shorter than that of P–A (0.20 h V.S. 5.53 h). P–A contact mainly occurred among peers as well as family members. However, P–S contact was concentrated in the middle-aged population. In GLM, the influence of P–S on the incidence of influenza was higher (OR = 2.63, 95% CI 2.29–3.02) than that of P–A (OR = 1.82, 95% CI 1.56–2.13), especially on the weekend (P–S OR = 4.31, 95% CI 2.31–8.01) and in recreation places (P–S OR = 4.94, 95% CI 2.26–10.78).

Conclusions

Social contact will increase the incidence rate of influenza. Therefore, when contacting with strangers, especially in recreation places, personal protective behavior should be strengthened.
Selective, reciprocal and quiet: lessons from rural queer empowerment in community-supported agriculture
Authors: Raj Guilherme
Published: February 2024

Rural queer studies, viewed through the lens of relational agriculture, offer critiques of heteropatriarchal norms in farming and highlight strategies used by queer farmers to manoeuvre discrimination and thrive in rural areas. This paper responds to recent calls for further scrutiny of the experiences of gender and sexually underrepresented groups in community-supported agriculture (CSA). It investigates the empowerment of rural queer people in CSA Guadiana, South Portugal, through the experiences of 12 queer members. I collected data through participant observation, semi-structured interviews and a focus group and analysed them through open coding, followed by focused coding. Results indicate that CSA Guadiana, despite not originally designed for this purpose, facilitates various forms of empowerment and active engagement among queer members, particularly influenced by the leadership of queer producers and recurrent gatherings in queer-owned farmland. Three key lessons of queer empowerment in CSA Guadiana emerge from the analysis and contribute to debates on the politics of recognition, queer community action and visibility in the rural context: (i) self-confidence to perform queerness may be restricted to a selective rural community; (ii) partnerships between producers and co-producers may enable reciprocal queer empowerment; and (iii) queer leadership in agri-food community action may quietly represent gender and sexual diversity in the countryside. These findings offer the rural queer literature novel insights into the complexities, contradictions and limitations of empowerment experienced by queer farmers, artisanal food producers and consumers in a rural CSA.