bluuebunny/crossref_metadata_2025 huggingface dataset:
Competitive Adsorption of 4-Hydroxybenzaldehyde and Toluene onto High Silica Zeolites
Authors: Chenet Tatiana , Mancinelli Maura , Sarti Elena , Costa Valentina , D’Anna Caterina , Martucci Annalisa , Pasti Luisa
Published: September 2024

To evaluate the ability of zeolites to remove natural low molecular organic substances, p-hydroxybenzaldehyde (p-HBA), a phenolic compound derived from lignin, was chosen as a representative of naturally occurring dissolved organic substances. Two distinct high-silica zeolite materials, namely ZSM-5 and Y, were utilised for the study, and the adsorption process was investigated under a wide range of conditions. It has been observed that p-HBA is adsorbed by both zeolites, and the pH significantly impacts the adsorption of p-HBA, particularly within the low concentration range, while exerting minimal influence on the saturation capacity. For both zeolites, various isotherm models were assessed to accurately describe the adsorption data obtained from aqueous solutions of p-HBA. In addition, to comprehend the selectivity of the adsorbents towards natural organic substances and xenobiotics, the competitive adsorption of mixtures of p-HBA and toluene (TOL) was investigated. The zeolite’s saturation capacity for p-HBA diminishes with increasing contaminant concentration. Conversely, the adsorption of toluene remains minimally affected by p-HBA, and it has been demonstrated that toluene can displace adsorbed p-HBA from the zeolites’ sites. This finding has been confirmed by diffractometric study that indicates that TOL and p-HBA occupy “the same” adsorption sites. Furthermore, Rietveld refinements reveal the formation of p-HBA complexes interacting with the framework and stabilising the guest structures within the zeolite porosity. The results obtained are important for the selection of proper adsorbent for the removal of hydrocarbons in environmental application (natural waters).
TrafPS: A shapley-based visual analytics approach to interpret traffic
Authors: Feng Zezheng , Jiang Yifan , Wang Hongjun , Fan Zipei , Ma Yuxin , Yang Shuang-Hua , Qu Huamin , Song Xuan
Published: September 2024

Recent achievements in deep learning (DL) have demonstrated its potential in predicting traffic flows. Such predictions are beneficial for understanding the situation and making traffic control decisions. However, most state-of-the-art DL models are considered “black boxes” with little to no transparency of the underlying mechanisms for end users. Some previous studies attempted to “open the black box” and increase the interpretability of generated predictions. However, handling complex models on large-scale spatiotemporal data and discovering salient spatial and temporal patterns that significantly influence traffic flow remain challenging. To overcome these challenges, we present TrafPS, a visual analytics approach for interpreting traffic prediction outcomes to support decision-making in traffic management and urban planning. The measurements region SHAP and trajectory SHAP are proposed to quantify the impact of flow patterns on urban traffic at different levels. Based on the task requirements from domain experts, we employed an interactive visual interface for the multi-aspect exploration and analysis of significant flow patterns. Two real-world case studies demonstrate the effectiveness of TrafPS in identifying key routes and providing decision-making support for urban planning.
A General Framework for Generating Three-Components Heavy-Tailed Distributions with Application
Authors: Osatohanmwen Patrick , Oyegue Francis O. , Ogbonmwan Sunday M. , Muhwava William
Published: September 2024

The estimation of a certain threshold beyond which an extreme value distribution can be fitted to the tail of a data distribution remains one of the main issues in the theory of statistics of extremes. While standard Peak over Threshold (PoT) approaches determine this threshold graphically, we introduce in this paper a general framework which makes it possible for one to determine this threshold algorithmically by estimating it as a free parameter within a composite distribution. To see how this threshold point arises, we propose a general framework for generating three-component hybrid distributions which meets the need of data sets with right heavy-tail. The approach involves the combination of a distribution which can efficiently model the bulk of the data around the mean, with an heavy-tailed distribution meant to model the data observations  in the tail while using another distribution as a link to connect the two. Some special examples of distributions resulting from the general framework are generated and studied. An estimation algorithm based on the maximum likelihood method is proposed for the estimation of the free parameters of the hybrid distributions. Application of the hybrid distributions to the S &P 500 index financial data set is also carried out.
Variations of dissolved trace elements in precipitation and stream water in Japanese forest area: additional evidence of changing air pollution in the region
Authors: Morohashi Masayuki , Saito Tatsuyoshi , Takahashi Masaaki , Inomata Yayoi , Nakata Makoto , Ohno Masaki , Kose Tomohiro , Ohizumi Tsuyoshi , Shin Ki-Cheol , Tayasu Ichiro , Sase Hiroyuki
Published: September 2024

Trace elements released into the atmosphere by human activities, such as fossil fuel combustion, flow into forest ecosystems via wet and dry deposition and can flow out via mountainous stream water. The Kajikawa catchment site in Niigata Prefecture, located on the Sea of Japan side in central Japan, suffers from large amounts of acidic substance deposition due to its geographical conditions and meteorological seasonality and is affected by transboundary air pollution originating from the Asian continent due to northwesterly seasonal winds in winter. This study determined the concentrations of trace elements dissolved in precipitation and stream water to comprehensively evaluate the effects of transboundary air pollution on forest ecosystems. The results showed that the concentrations of trace elements and major inorganic ions in precipitation tended to be high in winter and low in summer. The fluxes of many trace elements also increased in winter, reflecting high precipitation amount. Except for Sr, the enrichment factors of the highly enriched trace elements did not show clear seasonality. Therefore, they were continuously influenced by anthropogenic activities. Furthermore, the stable Pb isotope ratio changed significantly during the observation period; however, this was not explained by seasonal changes. This study revealed that trace elements are transported to the Sea of Japan side in central Japan, especially in winter; however, their quantity and content change in response to changes in local and transboundary air pollution.

Graphical Abstract
Long‐Term Surface Current Variability Across the Continental Shelf and Slope
Authors: Bitencourt Liliane Paranhos , Pattiaratchi Charitha B. , Cosoli Simone , Hetzel Yasha
Published: September 2024

Continental shelves are amongst the most dynamic and vulnerable regions in the oceans, and understanding their dynamics has implications for the transport of organisms and materials in both coastal and offshore zones. Determining the circulation patterns in systems experiencing high variability is crucial, but challenging as continuous and high‐resolution long‐term data sets are still scarce. In this paper, we use 9‐years (2010–2018) of High‐Frequency Radar surface current observations and satellite‐derived Sea Surface Temperature to investigate the spatiotemporal variability of surface currents on the offshore, shelf break and inner continental regions along the Wadjemup (Rottnest) Continental Shelf (WCS), South‐West Australia. We use the indigenous Noongar calendar that defines six‐seasons: Birak (DJ), Bunuru (FM), Djeran (AM), Makuru (JJ), Djilba (AS), and Kambarang (ON); to better represent the seasonal changes in local winds and surface circulation. The surface currents revealed the poleward‐flowing Leeuwin Current (LC), the equatorward‐flowing Capes Current (CC), their interactions, and eddy features (radii >10 km). The LC was the strongest (weakest) over Djeran/Makuru (Birak/Bunuru), whilst CC and offshore eddies were persistent from Kambarang‐Bunuru. Along WCS, CC and offshore eddies locally modulated LC strength and position, whereas the El Niño Southern Oscillation influenced its interannual variability. During El Niño (La Niña) years, LC was weakened (strengthened), whilst CC and offshore eddy activity were strengthened (weakened). Particularly during La Niña years, LC increased its cross‐shore migration and had an unseasonal peak in 2011. Our findings contribute to the understanding of the variability of boundary and coastal currents, and their local impacts on coastal circulation.
The Benefits of Future Quantum Accelerometers for Satellite Gravimetry
Authors: Zingerle P. , Romeshkani M. , Haas J. , Gruber T. , Güntner A. , Müller J. , Pail R.
Published: September 2024

We investigate the benefits of future quantum accelerometers based on cold atom interferometry (CAI) on current and upcoming satellite gravity mission concepts. These mission concepts include satellite‐to‐satellite tracking (SST) in a single‐pair (GRACE‐like) and double‐pair constellation as well as satellite gravity gradiometry (SGG, single satellite, GOCE‐like). Regarding instruments, four scenarios are considered: current‐generation electrostatic (GRACE‐, GOCE‐like), next‐generation electrostatic, conservative hybrid/CAI and optimistic hybrid/CAI. For SST, it is shown that temporal aliasing poses currently the dominating error source in simulated global gravity field solutions independent of the investigated instrument and constellation. To still quantify the advantages of CAI instruments on the gravity functional itself, additional simulations are performed where the impact of temporal aliasing is synthetically reduced. When neglecting temporal aliasing, future accelerometers in conjunction with future ranging instruments can substantially improve the retrieval performance of the Earth's gravity field (depending on instrument and constellation). These simulation results are further investigated regarding possible benefit for hydrological use cases where these improvements can also be observed (when omitting temporal aliasing). For SGG, it is demonstrated that, with realistic instrument assumptions, one is still mostly insensitive to time‐variable gravity and not competitive with the SST principle. However, due to the improved instrument sensitivity of quantum gradiometers compared to the GOCE mission, static gravity field solutions can be improved significantly.
On the Love Numbers of an Andrade Planet
Authors: Consorzi Anastasia , Melini Daniele , González‐Santander Juan Luis , Spada Giorgio
Published: September 2024

The Andrade rheological model is often employed to describe the response of solar system or extra‐solar planets to tidal perturbations, especially when their properties are still poorly constrained. While for uniform planets with steady‐state Maxwell rheology the analytical form of the Love numbers was established long ago, for the transient Andrade rheology no closed‐form solutions have been yet determined, and the planetary response is usually studied either semi‐analitically in the frequency domain or numerically in the time domain. Closed‐form expressions are potentially important since they could provide insight into the dependence of Love numbers upon the model parameters and the time‐scales of the isostatic readjustment of the planet. First, we focus on the Andrade rheological law in 1‐D and we obtain a previously unknown explicit form, in the time domain, for the relaxation modulus in terms of the higher Mittag‐Leffler transcendental function Eα,β(z) that generalizes the exponential function. Second, we consider the general response of an incompressible planetary model — often referred to as the “Kelvin sphere” — studying the Laplace domain, the frequency domain and the time domain Love numbers by analytical methods. Through a numerical approach, we assess the effect of compressibility on the Love numbers in the Laplace and frequency domains. Furthermore, exploiting the results obtained in the 1‐D case, we establish closed‐form — although not elementary — expressions of the time domain Love numbers and we discuss the frequency domain response of the Kelvin sphere with Andrade rheology analytically.
Global Assessment of Compound Climate Extremes and Exposures of Population, Agriculture, and Forest Lands Under Two Climate Scenarios
Authors: Schillerberg Tayler A. , Tian Di
Published: September 2024

Climate change is expected to increase the global occurrence and intensity of heatwaves, extreme precipitation, and flash droughts. However, it is not well understood how the compound heatwave, extreme precipitation, and flash drought events will likely change, and how global population, agriculture, and forest will likely be exposed to these compound events under future climate change scenarios. This research uses eight CMIP6 climate models to assess the current and future global compound climate extreme events, as well as population, agriculture, and forestry exposures to these events, under two climate scenarios, Shared Socioeconomic Pathways (SSP), SSP1‐2.6 and SSP5‐8.5 for three time periods: early‐, mid‐, and late‐ 21st century. Climate extremes are derived for heatwaves, extreme precipitation, and flash droughts using locational‐dependent thresholds. We find that compound heatwaves and flash drought events result in the largest increases in exposure of populations, agriculture, and forest lands, under SSP5‐8.5 late‐century projections of sequential heatwaves and flash droughts. Late‐century projections of sequential heatwaves and flash droughts show hot spots of exposure increases in population exposure greater than 50 million person‐events in China, India, and Europe; increases in agriculture land exposures greater than 90 thousand km2‐events in China, South America, and Oceania; and increase in forest land exposure greater than 120 thousand km2‐events in Oceania and South America regions when compared to the historical period. The findings from this study can be potentially useful for informing global climate adaptations.
Beyond Hydrology: Exploring the Factors Influencing the Seasonal Variation of the Molecular Composition of Riverine Dissolved Organic Matter
Authors: Zhan Xiaoqian , Bao Hongyan , Niggemann Jutta , Zhao Weiqiang , Chen Nengwang , Huang Dekun , Du Moge , Yi Yuanbi , Dittmar Thorsten , Kao Shuh‐Ji
Published: September 2024

The export of dissolved organic matter (DOM) from rivers is essential for linking terrestrial and marine carbon reservoirs in the global carbon cycle. However, there is limited knowledge regarding how the molecular composition of riverine DOM changes under different hydrological conditions, especially during extreme rainfall events. Moreover, the factors beyond hydrology that impact DOM composition have not been well defined. To address these gaps, samples were collected from a human‐impacted medium‐sized subtropical monsoonal river across various hydrological conditions throughout a complete hydrological cycle. Utilizing high‐resolution mass spectrometry, it was discovered that the solid‐phase extractable DOM (SPE‐DOM) during the high‐flow (1 < runoff (Q): annual mean runoff (Qm) < 3) and extreme‐rain (Q:Qm > 3) periods exhibited a higher number of molecular formulae, lower H/C, higher O/C, and a higher proportion of carboxylic‐rich alicyclic molecules compared to the low‐flow period (LFP) (Q:Qm < 1). These alterations were attributed to input from more diverse sources, particularly a greater input from soil organic matter with higher oxidation degrees. Additionally, the P‐containing formulae were more enriched during the extreme‐rain period, likely from agricultural lands and sediment release. Conversely, the fraction of S‐containing formulae was significantly higher during the LFP, possibly due to the amplified influence of anthropogenic input. Furthermore, the DOM aromaticity did not fluctuate with runoff but was significantly associated with temperature. In summary, the study indicated that the composition of DOM varied significantly under different hydrological conditions, with temperature and anthropogenic activities identified as crucial factors influencing riverine DOM export.
Star wars against leukemia: attacking the clones
Authors: Toma Monika M. , Skorski Tomasz
Published: September 2024

Leukemia, although most likely starts as a monoclonal genetic/epigenetic anomaly, is a polyclonal disease at manifestation. This polyclonal nature results from ongoing evolutionary changes in the genome/epigenome of leukemia cells to promote their survival and proliferation advantages. We discuss here how genetic and/or epigenetic aberrations alter intracellular microenvironment in individual leukemia clones and how extracellular microenvironment selects the best fitted clones. This dynamic polyclonal composition of leukemia makes designing an effective therapy a challenging task especially because individual leukemia clones often display substantial differences in response to treatment. Here, we discuss novel therapeutic approach employing single cell multiomics to identify and eradicate all individual clones in a patient.
Deep learning-based virtual staining, segmentation, and classification in label-free photoacoustic histology of human specimens
Authors: Yoon Chiho , Park Eunwoo , Misra Sampa , Kim Jin Young , Baik Jin Woo , Kim Kwang Gi , Jung Chan Kwon , Kim Chulhong
Published: September 2024

In pathological diagnostics, histological images highlight the oncological features of excised specimens, but they require laborious and costly staining procedures. Despite recent innovations in label-free microscopy that simplify complex staining procedures, technical limitations and inadequate histological visualization are still problems in clinical settings. Here, we demonstrate an interconnected deep learning (DL)-based framework for performing automated virtual staining, segmentation, and classification in label-free photoacoustic histology (PAH) of human specimens. The framework comprises three components: (1) an explainable contrastive unpaired translation (E-CUT) method for virtual H&E (VHE) staining, (2) an U-net architecture for feature segmentation, and (3) a DL-based stepwise feature fusion method (StepFF) for classification. The framework demonstrates promising performance at each step of its application to human liver cancers. In virtual staining, the E-CUT preserves the morphological aspects of the cell nucleus and cytoplasm, making VHE images highly similar to real H&E ones. In segmentation, various features (e.g., the cell area, number of cells, and the distance between cell nuclei) have been successfully segmented in VHE images. Finally, by using deep feature vectors from PAH, VHE, and segmented images, StepFF has achieved a 98.00% classification accuracy, compared to the 94.80% accuracy of conventional PAH classification. In particular, StepFF’s classification reached a sensitivity of 100% based on the evaluation of three pathologists, demonstrating its applicability in real clinical settings. This series of DL methods for label-free PAH has great potential as a practical clinical strategy for digital pathology.
Enhanced high harmonic efficiency through phonon-assisted photodoping effect
Authors: Zhang Jin , Neufeld Ofer , Tancogne-Dejean Nicolas , Lu I-Te , Hübener Hannes , De Giovannini Umberto , Rubio Angel
Published: September 2024

High-harmonic generation (HHG) has emerged as a central technique in attosecond science and strong-field physics, providing a tool for investigating ultrafast dynamics. However, the microscopic mechanism of HHG in solids is still under debate, and it is unclear how it is modified in the ubiquitous presence of phonons. Here we theoretically investigate the role of collectively coherent vibrations in HHG in a wide range of solids (e.g., hBN, graphite, 2H-MoS2, and diamond). We predict that phonon-assisted high harmonic yields can be significantly enhanced, compared to the phonon-free case – up to a factor of ~20 for a transverse optical phonon in bulk hBN. We also show that the emitted harmonics strongly depend on the character of the pumped vibrational modes. Through state-of-the-art ab initio calculations, we elucidate the physical origin of the HHG yield enhancement – phonon-assisted photoinduced carrier doping, which plays a paramount role in both intraband and interband electron dynamics. Our research illuminates a clear pathway toward comprehending phonon-mediated nonlinear optical processes within materials, offering a powerful tool to deliberately engineer and govern solid-state high harmonics.
Role of reactive transport in the alteration of vitrified waste packages: the MOS model
Authors: Frugier Pierre , Godon Nicole , Minet Yves
Published: September 2024

The MOS model (acronym coming from the French MOdèle Simplifié) was born from the desire to have a simple tool that can quantify the contribution of the diffusive reactive environment to the alteration of a vitrified nuclear waste package in deep geological disposal conditions. In the model, this environmental contribution consists partly of the ability of iron, metallic casing corrosion products, and argillite to consume silicon, and partly of the brake on diffusive transport provided by silicon through the successive layers of environmental material. It is a modeling tool serving as an intermediary between operational modeling for the calculation of the source term from the glass, mathematically more simple and giving higher upper margins, and models that use geochemistry and transport, giving greater accuracy for the interactions between glass and its environment. The goal of the MOS model is to calculate the possible impact of silicon reactive diffusion on the alteration rate within the different layers of material surrounding nuclear glass. This article lists the simplifying hypotheses on which the MOS is based, presents the digital resolution method for an environment consisting of several successive layers with different reactivity and transport properties, and explains the model’s implementation.
Seismic analysis of Islamic Egyptian minarets through 3D scanning and dynamic simulation
Authors: Abdel-Wahab A. M. , Badawy Amr H. , El-Feky M. S.
Published: September 2024

Recently, Egypt had seismic activity. These seismic events have affected the stability of minarets, especially historical ones. Weight is one of the minaret's main stability factors. The main objective of the current research is to perform a three-dimensional (3D) assessment of an existing minaret, determine its accurate spatial model, document its current condition, examine its stability in the event of earthquakes, and identify the requisite measures to safeguard the minaret from any potential damage. The masonry to construct the minaret was used by extracting and examining specimens of this substance to determine its physical characteristics. The current work created three-dimensional models of the Abou-Ghanam El-Bialy minaret using a terrestrial laser scanner (TLS) to document its current condition, as well as minaret was subjected to a free vibration analysis using 3D finite element modeling. Finally, the minaret's seismic behavior was assessed utilizing mode forms, base responses, and normal stresses. The surveying method effectively documented the Minarets' existing case. The 3D seismic analysis showed that the minaret responded dynamically to earthquake loading, with mode shapes, base reactions, and normal stresses being crucial characteristics. Based on these data, we may suggest procedures to protect the minaret during seismic events.
Choline chloride and amino acid solutions taste and hydration behavior with experimental thermodynamic properties and COSMO-PC-SAFT calculation
Authors: Morsali Mohammad Amin , Golmohammadi Behrang , Shekaari Hemayat
Published: September 2024

Aqueous amino acid solutions have been introduced as dietary supplements for both animals and humans. This study investigates the physicochemical properties of the solutions containing amino acids (l-glycine, d,l-alanine, l-proline), choline chloride, and water at temperature range of 288.15 to 318.15 K. The results show that increasing concentrations of amino acids and choline chloride lead to higher solution densities. Analysis of apparent molar volume (Vφ) and apparent molar isentropic compressibility (κφ) reveals that Vφ values increase with choline chloride concentration and temperature, indicating enhanced solute–solvent interactions, while κφ values decrease, suggesting increased solution compression. Thermodynamic analysis using the Redlich-Mayer model and COSMO-based modeling provides insights into molecular interactions. However, COSMO-based parameters show high average relative deviation percentage (ARD %) values, indicating poor predictive performance for the density of these systems. In contrast, the ePC-SAFT equation of state effectively predicts the densities, particularly for l-proline-based solutions, which show very low ARD % values, indicating high accuracy. The ePC-SAFT model also performs reasonably well for l-glycine solutions but shows poorer results for d,l-alanine-based solutions. The study also examines the sweetness and saltiness criteria (ASV and ASIC) of these solutions. The ASV values, which serve as a sweetness criterion, are higher than the ideal range of 0.5 < ASV < 0.7, suggesting an overly sweet taste. The ASIC values follow a similar trend, indicating increased saltiness. To achieve an appropriate grade of sweetness and saltiness, dilution to lower concentrations of the solution is recommended. Furthermore, the use of choline chloride is found to increase salt intake and enhance the taste of salt, which can be beneficial in amino acid supplements used in animal food.
T-cell responses to ancestral SARS-CoV-2 and Omicron variant among unvaccinated pregnant and postpartum women living with and without HIV in South Africa
Authors: McMahon William C. , Kwatra Gaurav , Izu Alane , Jones Stephanie A. , Mbele Nkululeko J. , Jafta Nwabisa , Lala Rushil , Shalekoff Sharon , Tiemessen Caroline T. , Madhi Shabir A. , Nunes Marta C.
Published: September 2024

SARS-CoV-2 cell-mediated immunity remains understudied during pregnancy in unvaccinated Black African women living with HIV (WLWH) from low- and middle-income countries. We investigated SARS-CoV-2-specific T-cell responses 1 month following infection in 24 HIV-uninfected women and 15 WLWH at any stage during pregnancy or postpartum. The full-length spike (FLS) glycoprotein and nucleocapsid (N) protein of wild-type (WT) SARS-CoV-2, as well as mutated spike protein regions found in the Omicron variant (B.1.1.529) were targeted by flow cytometry. WT-specific CD4+ and CD8+ T cells elicited similar FLS- and N-specific responses in HIV-uninfected women and WLWH. SARS-CoV-2-specific T-lymphocytes were predominantly TNF-α monofunctional in pregnant and postpartum women living with and without HIV, with fever cells producing either IFN-γ or IL-2. Furthermore, T-cell responses were unaffected by Omicron-specific spike mutations as similar responses between Omicron and the ancestral virus were detected for CD4+ and CD8+ T cells. Our results collectively demonstrate comparable T-cell responses between WLWH on antiretroviral therapy and HIV-uninfected pregnant and postpartum women who were naïve to Covid-19 vaccination. Additionally, we show that T cells from women infected with the ancestral virus, Beta variant (B.1.351), or Delta variant (B.1.617.2) can cross-recognize Omicron, suggesting an overall preservation of T-cell immunity.
Satellite DNAs and the evolution of the multiple X1X2Y sex chromosomes in the wolf fish Hoplias malabaricus (Teleostei; Characiformes)
Authors: Toma Gustavo Akira , Sember Alexandr , Goes Caio Augusto Gomes , Kretschmer Rafael , Porto-Foresti Fabio , Bertollo Luiz Antônio Carlos , Liehr Thomas , Utsunomia Ricardo , de Bello Cioffi Marcelo
Published: September 2024

Multiple sex chromosomes usually arise from chromosomal rearrangements which involve ancestral sex chromosomes. There is a fundamental condition to be met for their long-term fixation: the meiosis must function, leading to the stability of the emerged system, mainly concerning the segregation of the sex multivalent. Here, we sought to analyze the degree of differentiation and meiotic pairing properties in the selected fish multiple sex chromosome system present in the wolf-fish Hoplias malabaricus (HMA). This species complex encompasses seven known karyotype forms (karyomorphs) where the karyomorph C (HMA-C) exhibits a nascent XY sex chromosomes from which the multiple X1X2Y system evolved in karyomorph HMA-D via a Y-autosome fusion. We combined genomic and cytogenetic approaches to analyze the satellite DNA (satDNA) content in the genome of HMA-D karyomorph and to investigate its potential contribution to X1X2Y sex chromosome differentiation. We revealed 56 satDNA monomers of which the majority was AT-rich and with repeat units longer than 100 bp. Seven out of 18 satDNA families chosen for chromosomal mapping by fluorescence in situ hybridization (FISH) formed detectable accumulation in at least one of the three sex chromosomes (X1, X2 and neo-Y). Nine satDNA monomers showed only two hybridization signals limited to HMA-D autosomes, and the two remaining ones provided no visible FISH signals. Out of seven satDNAs located on the HMA-D sex chromosomes, five mapped also to XY chromosomes of HMA-C. We showed that after the autosome-Y fusion event, the neo-Y chromosome has not substantially accumulated or eliminated satDNA sequences except for minor changes in the centromere-proximal region. Finally, based on the obtained FISHpatterns, we speculate on the possible contribution of satDNA to sex trivalent pairing and segregation.
Green synthesis of copper oxide nanoparticles using walnut shell and their size dependent anticancer effects on breast and colorectal cancer cell lines
Authors: Abdollahzadeh Hanieh , Pazhang Yaghub , Zamani Asghar , Sharafi Yousef
Published: September 2024

Metal oxide nanoparticles(NPs) contain unique properties which have made them attractive agents in cancer treatment. The CuO nanoparticles were green synthesized using walnut shell powder in different calcination temperatures (400°, 500°, 700°, and 900 °C). The CuO nanoparticles are characterized by FTIR, XRD, BET, SEM and DLS analyses. SEM and DLS analyses showed that by increasing the required calcination temperature for synthesizing the NPs, their size was increased. DPPH analysis displayed no significant anti-oxidative properties of the CuO NPs. The MTT analysis showed that all synthesized CuO NPs exhibited cytotoxic effects on MCF-7, HCT-116, and HEK-293 cell lines. Among the CuO NPs, the CuO-900 NPs showed the least cytotoxic effect on the HEK-293 cell line (IC50 = 330.8 µg/ml). Hoechst staining and real-time analysis suggested that the CuO-900 NPs induced apoptosis by elevation of p53 and Bax genes expression levels. Also, the CuO-900 NPs increased the Nrf-2 gene expression level in MCF-7 cells, despite the HCT-116 cells. As can be concluded from the results, the CuO-900 NPs exerted promising cytotoxic effects on breast and colon cancer cells.
Nano-micro pore structure characteristics of carbon black and recycled carbon fiber reinforced alkali-activated materials
Authors: Zhang Weiwei , Yin Binbin , Akbar Arslan , Li Wen-Wei , Dai Yitao , Liew K. M.
Published: September 2024

Microscopic scrutiny aids in alkali-activated materials’ (AAM) application in construction industry. This study delves into the pore structure and properties of one-part alkali-activated slag (AAS) mortar modified by carbon black (CB) and recycled carbon fiber (rCF). The additives enhanced flexural strength by 51.82% (12.16 MPa) with lower water absorption (10.24%). Refinement of pore size and reduction of connectivity are key factors in improving properties. The densification effect of CB and the strong interface between rCF and gel were observed. Furthermore, AAS mortars exhibited multifractal characteristics within the range of micropores and capillary pores. Despite altering fractal regions, the additives did not affect its size dependence. The backbone fractal dimension increases with the addition of CB and rCF, exhibiting strong correlations with various macro properties, thus serving as a comprehensive parameter to characterize pore shape and distribution. This study deepens understanding of AAM composites, facilitating their adoption of low-carbon building materials.
Beyond glucose and Warburg: finding the sweet spot in cancer metabolism models
Authors: Hammond Nia G. , Cameron Robert B. , Faubert Brandon
Published: September 2024

Advances in cancer biology have highlighted metabolic reprogramming as an essential aspect of tumorigenesis and progression. However, recent efforts to study tumor metabolism in vivo have identified some disconnects between in vitro and in vivo biology. This is due, at least in part, to the simplified nature of cell culture models and highlights a growing need to utilize more physiologically relevant approaches to more accurately assess tumor metabolism. In this review, we outline the evolution of our understanding of cancer metabolism and discuss some discrepancies between in vitro and in vivo conditions. We describe how the development of physiological media, in combination with advanced culturing methods, can bridge the gap between in vitro and in vivo metabolism.
The Microleaks study: 16S community profile and metagenomic shotgun sequencing signatures associated with anastomotic leak
Authors: Hoedt Emily C. , Carroll Georgia , Stephensen Bree , Togher Katie , Morrison Mark , Vishnoi Veral , Makanyengo Samwel , Draganic Brian , McManus Brendan , Clarke Louise , Shah Kalpesh , Smith Stephen R. , Talley Nicholas J. , Keely Simon , Pockney Peter
Published: September 2024

Anastomotic leaks (AL) are the most severe complications of colorectal surgery. The cause of AL is unclear, but recent studies have implicated the intestinal microbiota in its development. We aimed to determine whether there is an identifiable microbial pattern in the mucosal microbiota associated with AL. A pragmatic series of 162 patients undergoing colorectal resection with anastomosis had swabs taken from the proximal and distal mucosa of the bowel resection immediately after the tissue was excised. DNA was extracted for 16S rRNA amplicon gene sequencing and a subset for metagenomic shotgun sequencing (MGS). The AL rate in the cohort was approximately 15% (25/162). The alpha diversity measures from the intraoperative swabs were all significantly increased for AL, and there were significant differences in the beta diversity measures for AL from both the 16S and MGS datasets. The predictive power of AL was more sensitive when both proximal and distal communities were considered, and the species-level classifier AUC-ROC was stronger for the MGS dataset than for the 16S data (AUC = 0.92 and 0.76, respectively). We also report, for the first time, the functional changes in intraoperative AL microbes and noted an increase in the relative abundance of pathways with fermentation end products. This result was also found in our murine model of anastomoses (n = 20). At the time of surgery, the mucosal microbiota of the anastomotic extremities exhibits subtle differences at the species level and altered fermentation capacity, which may be associated with AL outcomes. A greater understanding of these insights could improve AL prognosis and preoperative management to reduce the occurrence of this life-threatening condition.
Localized regional environmental risk in mountainous urban areas of Southwest China: identification, assessment, and management strategies in Kunming
Authors: Jin Wei , Mo Qianwen , Li Guihong , Wang Gang , Zhu Binqiang , Wan Xing , Lin Peng , Huang Bin , Pan Xuejun
Published: September 2024

In recent decades, the escalating frequency of environmental risk events, arising from sources such as industrial accidents, chemical spills, or other anthropogenic activities, has intensified threats to the ecological environment.
Phase separation-induced glass transition under critical miscible conditions
Authors: Watanabe Mayu , Shi Dong , Kiyama Ryuji , Maruyama Kagari , Nishizawa Yuichiro , Uchihashi Takayuki , Gong Jian Ping , Nonoyama Takayuki
Published: September 2024

A polymer material shows phase separation-induced glass transition under critical miscible conditions, where the miscible/immiscible state is altered by temperature variations predicted by temperature-corrected Hansen solubility parameters.
Impact of polymorphism vs. shape of titania nanocrystals on the hydrogen evolution reaction
Authors: Yadav Ankur , Agrahari Vivek Kumar , Pihosh Yuriy , Nakabayashi Mamiko , Nogala Wojciech , Giri Balendu Sekhar , Domen Kazunari , Pandey Daya Shankar , Gupta Bhavana , Sadhu Subha
Published: September 2024

Two polymorphs of titania were synthesized by varying the reaction conditions. Enhanced HER in rutile nanorods was seen compared to that in anatase granules due to enhanced charge separation and faster diffusion of charge.
Synthesis of a cubane-like anion [Re4As2S2(CN)12]6− for coordinate regulation of Na+ ion transport
Authors: Li Hongyang , Ermolaev Andrey V. , Pronin Aleksei S. , Zheng Jingang , Huang Hao , Zhang Han , Li Lixiang , An Baigang , Mironov Yuri V. , Sun Chengguo
Published: September 2024

The cluster Na6[Re4As2S2(CN)12]·0.75CH3OH·6H2O, in which Na+ ions are distributed around CN− groups, has been synthesized and its ionic conductivity was studied.
Oxygen vacancy assisted Ru–Ni(OH)2 for efficient ethylene glycol electrooxidation reaction
Authors: Li Yanyan , Liu Xiaobin , Wang Ketao , Chi Jingqi , Lin Haifeng , Wang Lei
Published: September 2024

Ethylene glycol oxidation (EGOR) is an important step in polyethylene terephthalate (PET) recycling, and it is a thermodynamically more favorable anode reaction in comparison with the oxygen evolution reaction (OER).
Fabrication of closed-cell inverse opal photonic crystal pigments with angle-independent and stable structural colors
Authors: Fang Qianyao , Wang Shijia , Li Jiahao , Su Xin
Published: September 2024

Benefiting from closed-cell inverse opal structures, photonic crystal pigments with stable and angle-independent structural colors were fabricated.
Calix[4]pyrrole bis-crowns as ion pair receptors: cation selectivity modulated by counter anions
Authors: Yang Ju Ho , Oh Ju Hyun , Kwon Seung-Ryong , Kim Sung Kuk
Published: September 2024

A series of doubly strapped calix[4]pyrrole bis-crowns were synthesized as ion pair receptors. Their cation selectivity could be reversed by counter anions.
Nanomaterials: innovative approaches for addressing key objectives in periodontitis treatment
Authors: Shi Ruijianghan , Zhu Yujie , Lu Weitong , Zhai Ruohan , Zhou Mi , Shi Sirong , Chen Yang
Published: September 2024

Periodontitis is a chronic inflammatory disease primarily caused by dental plaque, which is a significant global public health concern due to its high prevalence and severe impact on oral, and even systemic diseases.
Enhancement of third-order optical nonlinearity of VSe2 by hybridizing with CoSe2 as flower-like nanoparticles
Authors: Parishani Marziyeh , Nadafan Marzieh , Akbarpoor Sajad
Published: September 2024

Hybrid nanostructures make remarkable alterations in nonlinear optical features compared to pristine components. The VSe2–CoSe2 hybrid nanostructures with superior FOM parameters were demonstrated to be promising candidates in optical switching.
Close-packed nitronyl nitroxide radicals by Au–S self-assembly: strong ferromagnetic coupling
Authors: Xu Zhipeng , Qin Yongliang , Wei Dongdong , Jin Jie , Zheng Long , Xu Jie , Liu Hui , Chen Ranran , Wang Di
Published: September 2024

Organic radicals (nitronyl nitroxide) modified AuNPs based on Au–S self-assembly exhibit strong ferromagnetic coupling (spin interactions).
A simple, efficient, and rapid method for dye removal from wastewater using an IDA-GO@Fe3O4 magnetic nanocomposite
Authors: Abdolmaleki Amir , Mohamadi Zahra , Bazyar Zahra
Published: September 2024

With the rapid advancement of the dye and textile industry, there has been increasing concern regarding the contamination of wastewater with dyes and its potential influence on human health.
Antiviral activity of pyrazole derivatives bearing a hydroxyquinoline scaffold against SARS-CoV-2, HCoV-229E, MERS-CoV, and IBV propagation
Authors: Morsy Alaa R. I. , Mahmoud Sara H. , Abou Shama Noura M. , Arafa Walaa , Yousef Gehad A. , Khalil Ahmed. A. , Ramadan Sayed K.
Published: September 2024

Antiviral screening of hydroxyquinoline-pyrazoles against SARS-CoV-2, MERS-CoV, and HCoV-229E revealed potent inhibition of SARS-CoV-2 at lower concentrations, highlighting their promise as therapeutic candidates against this highly pathogenic virus.
Amelioration of gold nanoparticles mediated through Ocimum oil extracts induces reactive oxygen species and mitochondrial instability against MCF-7 breast carcinoma
Authors: Mohanta Yugal Kishore , Biswas Kunal , Mishra Awdhesh Kumar , Patra Biswajit , Mishra Bishwambhar , Panda Jibanjyoti , Avula Satya Kumar , Varma Rajender S. , Panda Bibhu Prasad , Nayak Debasis
Published: September 2024

The bottom-up synthesis of gold nanoparticles (AuNPs) using Ocimum sanctum essential oil extracts exhibited excellent antimicrobial and therapeutic potential against MCF 7 breast carcinoma through flow cytometry analysis and DNA damage studies.
Fabrication of black TiO2 through microwave heating for visible light-driven photocatalytic degradation of rhodamine 6G
Authors: Rachmantyo Riska , Afkauni Afif Akmal , Reinaldo Ricky , Zhang Lei , Arramel Arramel , Birowosuto Muhammad Danang , Wibowo Arie , Judawisastra Hermawan
Published: September 2024

This study shows that a narrower band gap TiO2, namely black TiO2, can be prepared using NaBH4 as a reducing material and microwave heating, which is a faster, greener, and simpler method than the existing method using furnace heating.
Identification of unique highly hetero-substituted benzenes as chemical weapons of springtails by a combination of trace analytical methods with DFT calculations and synthesis
Authors: Möllerke Anton , Stell Matthew , Schlawis Christian , Trauer-Kizilelma Ute , Herrmann Jennifer , Leinaas Hans Petter , Scheu Stefan , Schulz Stefan
Published: September 2024

Tiny amounts form tiny springtails reveal highly hetereosubstituted benzenes as a new class of predator repellents.
SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics
Authors: Mausenberger Sascha , Müller Carolin , Tkatchenko Alexandre , Marquetand Philipp , González Leticia , Westermayr Julia
Published: September 2024

SpaiNN employs SchNetPack to train electronic properties across various potential energy curves, including energies, gradients, and couplings, while integrating with SHARC for excited state molecular dynamics simulations.
A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (PP) and a bis(phosphinidene) (P–P) transfer agent
Authors: Yoon Joseph S. , Abdellaoui Mehdi , Gembicky Milan , Bertrand Guy
Published: September 2024

The bis-monosubstituted aminocarbene-P2 adduct is a generator of P2, under the classical triple-bonded form (PP), but it also acts as a bis(phosphinidene) (P–P) synthetic equivalent.
Influence of component molar ratios of conjugated polymers on the anode performance in lithium-ion batteries
Authors: Ma Detian , Xu Hui , Zhang Yahui , Yang Yuxuan , Bai Yunfei , Wu Jincai , Pan Xiaobo
Published: September 2024

The change in the ratio of D–A monomers in the polymer skeleton improves the intrinsic electron transport capacity and achieves enhanced electrochemical properties.
Bifunctional interface stabilizer for promoting preferential crystal face adsorption and inducing planar Zn growth
Authors: Liu Tiancun , Lu Song , Jiang Ronghan , Chen Ling , Wang Xusheng , Wang Yong , Yu Zhixin
Published: September 2024

A unique kind of organic small molecules with two zincophilic sites is demonstrated as the bifunctional interface stabilizer (BIS) for promoting uniform Zn deposition and suppressing dendrite formation.
The impact of structural modification on the electrochromic and electroluminescent properties of D–A–D benzothiadiazole derivatives with a fluorene linker and (Bi)thiophene units
Authors: Ganczarczyk Roman , Rybakiewicz-Sekita Renata , Zawadzka Magdalena , Pander Piotr , Ledwon Przemysław , Nastula Dawid , Pluczyk-Małek Sandra
Published: September 2024

Two derivatives of benzothiadiazole (BTD) symmetrically functionalized with a dihexylfluorene units serving as a linker between the BTD core and the thiophene or bithiophene were designed, synthesized and comprehensively characterized.
Restructuring disorder: transformation from the antiferromagnetic order in Fe2VSi to the ferromagnetic state in FeRuVSi by substitution of a non-magnetic element
Authors: Gupta Shuvankar , Chakraborty Sudip , Barreteau Celine , Crivello Jean-Claude , Greneche Jean-Marc , Alleno Eric , Mazumdar Chandan
Published: September 2024

This study addresses the challenge of structural disorder in Heusler alloys, proposing that replacing 50% of Fe with Ru in Fe2VSi can restore ferromagnetic order and enhance half-metallic ferromagnetic properties.
Impacts of biochar and slag on carbon sequestration potential and sustainability assessment of MgO-stabilized marine soils: insights from MIP analysis
Authors: Onyekwena Chikezie Chimere , Li Qi , Wang Yong , Alvi Ishrat Hameed , Hou Yunlu , Ukaomah Chima Finnian , Hakuzweyezu Theogene
Published: September 2024

MgO-based binders enhance soil stability and CO2 sequestration. This study examines soft dredged marine soils treated with MgO, integrated with biochar or slag, demonstrating significant improvements in soil properties and environmental benefits.