bluuebunny/crossref_metadata_2025 huggingface dataset:
Genome and tissue-specific transcriptomes of the large-polyp coral, Fimbriaphyllia (Euphyllia) ancora: a recipe for a coral polyp
Authors: Shikina Shinya , Yoshioka Yuki , Chiu Yi-Ling , Uchida Taiga , Chen Emma , Cheng Yin-Chu , Lin Tzu-Chieh , Chu Yu-Ling , Kanda Miyuki , Kawamitsu Mayumi , Fujie Manabu , Takeuchi Takeshi , Zayasu Yuna , Satoh Noriyuki , Shinzato Chuya
Published: July 2024

Coral polyps are composed of four tissues; however, their characteristics are largely unexplored. Here we report biological characteristics of tentacles (Te), mesenterial filaments (Me), body wall (Bo), and mouth with pharynx (MP), using comparative genomic, morpho-histological, and transcriptomic analyses of the large-polyp coral, Fimbriaphyllia ancora. A draft F. ancora genome assembly of 434 Mbp was created. Morpho-histological and transcriptomic characterization of the four tissues showed that they have distinct differences in structure, primary cellular composition, and transcriptional profiles. Tissue-specific, highly expressed genes (HEGs) of Te are related to biological defense, predation, and coral-algal symbiosis. Me expresses multiple digestive enzymes, whereas Bo expresses innate immunity and biomineralization-related molecules. Many receptors for neuropeptides and neurotransmitters are expressed in MP. This dataset and new insights into tissue functions will facilitate a deeper understanding of symbiotic biology, immunology, biomineralization, digestive biology, and neurobiology in corals.
A ligand discovery toolbox for the WWE domain family of human E3 ligases
Authors: Münzker Lena , Kimani Serah W. , Fowkes Milan M. , Dong Aiping , Zheng Hong , Li Yanjun , Dasovich Morgan , Zak Krzysztof M. , Leung Anthony K. L. , Elkins Jonathan M. , Kessler Dirk , Arrowsmith Cheryl H. , Halabelian Levon , Böttcher Jark
Published: July 2024

The WWE domain is a relatively under-researched domain found in twelve human proteins and characterized by a conserved tryptophan-tryptophan-glutamate (WWE) sequence motif. Six of these WWE domain-containing proteins also contain domains with E3 ubiquitin ligase activity. The general recognition of poly-ADP-ribosylated substrates by WWE domains suggests a potential avenue for development of Proteolysis-Targeting Chimeras (PROTACs). Here, we present novel crystal structures of the HUWE1, TRIP12, and DTX1 WWE domains in complex with PAR building blocks and their analogs, thus enabling a comprehensive analysis of the PAR binding site structural diversity. Furthermore, we introduce a versatile toolbox of biophysical and biochemical assays for the discovery and characterization of novel WWE domain binders, including fluorescence polarization-based PAR binding and displacement assays, 15N-NMR-based binding affinity assays and 19F-NMR-based competition assays. Through these assays, we have characterized the binding of monomeric iso-ADP-ribose (iso-ADPr) and its nucleotide analogs with the aforementioned WWE proteins. Finally, we have utilized the assay toolbox to screen a small molecule fragment library leading to the successful discovery of novel ligands targeting the HUWE1 WWE domain.
Identification of new correctors for traffic-defective ABCB4 variants by a high-content screening approach
Authors: Lakli Mounia , Dumont Julie , Vauthier Virginie , Charton Julie , Crespi Veronica , Banet Manon , Riahi Yosra , Ben Saad Amel , Mareux Elodie , Lapalus Martine , Gonzales Emmanuel , Jacquemin Emmanuel , Di Meo Florent , Deprez Benoit , Leroux Florence , Falguières Thomas
Published: July 2024

ABCB4 is located at the canalicular membrane of hepatocytes and is responsible for the secretion of phosphatidylcholine into bile. Genetic variations of this transporter are correlated with rare cholestatic liver diseases, the most severe being progressive familial intrahepatic cholestasis type 3 (PFIC3). PFIC3 patients most often require liver transplantation. In this context of unmet medical need, we developed a high-content screening approach to identify small molecules able to correct ABCB4 molecular defects. Intracellularly-retained variants of ABCB4 were expressed in cell models and their maturation, cellular localization and function were analyzed after treatment with the molecules identified by high-content screening. In total, six hits were identified by high-content screening. Three of them were able to correct the maturation and canalicular localization of two distinct intracellularly-retained ABCB4 variants; one molecule was able to significantly restore the function of two ABCB4 variants. In addition, in silico molecular docking calculations suggest that the identified hits may interact with wild type ABCB4 residues involved in ATP binding/hydrolysis. Our results pave the way for their optimization in order to provide new drug candidates as potential alternative to liver transplantation for patients with severe forms of ABCB4-related diseases, including PFIC3.
Testing the form-function paradigm: body shape correlates with kinematics but not energetics in selectively-bred birds
Authors: Cross Samuel R. R. , Marmol-Guijarro Andres C. , Bates Karl T. , Marrin John C. , Tickle Peter G. , Rose Kayleigh A. , Codd Jonathan R.
Published: July 2024

A central concept of evolutionary biology, supported by broad scale allometric analyses, asserts that changing morphology should induce downstream changes in locomotor kinematics and energetics, and by inference selective fitness. However, if these mechanistic relationships exist at local intraspecific scales, where they could provide substrate for fundamental microevolutionary processes, is unknown. Here, analyses of selectively-bred duck breeds demonstrate that distinct body shapes incur kinematic shifts during walking, but these do not translate into differences in energetics. A combination of modular relationships between anatomical regions, and a trade-off between limb flexion and trunk pitching, are shown to homogenise potential functional differences between the breeds, accounting for this discrepancy between form and function. This complex interplay between morphology, motion and physiology indicates that understanding evolutionary links between the avian body plan and locomotor diversity requires studying locomotion as an integrated whole and not key anatomical innovations in isolation.
IRF8 and MAFB drive distinct transcriptional machineries in different resident macrophages of the central nervous system
Authors: Yamasaki Ayato , Imanishi Iroha , Tanaka Kaori , Ohkawa Yasuyuki , Tsuda Makoto , Masuda Takahiro
Published: July 2024

The central nervous system (CNS) includes anatomically distinct macrophage populations including parenchyma microglia and CNS-associated macrophages (CAMs) localized at the interfaces like meninges and perivascular space, which play specialized roles for the maintenance of the CNS homeostasis with the help of precisely controlled gene expressions. However, the transcriptional machinery that determines their cell-type specific states of microglia and CAMs remains poorly understood. Here we show, by myeloid cell-specific deletion of transcription factors, IRF8 and MAFB, that both adult microglia and CAMs utilize IRF8 to maintain their core gene signatures, although the genes altered by IRF8 deletion are different in the two macrophage populations. By contrast, MAFB deficiency robustly affected the gene expression profile of adult microglia, whereas CAMs are almost independent of MAFB. Our data suggest that distinct transcriptional machineries regulate different macrophages in the CNS.
Structure and chemical bonding in high-pressure potassium silver alloys
Authors: Ukoji Nnanna , Rodriguez Danny , Kuang Huiyao , Desgreniers Serge , Tse John S.
Published: July 2024

The high-pressure structures of K-Ag alloys were examples of pressure-induced electron transfer from the electropositive potassium to the electronegative silver. We re-examined the crystal and electronic structures of KAg2, K2Ag, and K3Ag using powder X-ray diffraction and theoretical calculations. Our findings establish a connection between the morphologies of these three phases and the precursor face-centered cubic Ag. For K2Ag, we discovered a disordered structure that better matches the X-ray pattern. Valence electron density distributions obtained from the maximum entropy method, along with charge density calculations, provide a comprehensive understanding of the evolution of chemical bonding in these systems. It was found that K atoms share their valence electrons during alloy formation, contributing to K-Ag and Ag-Ag bonds in K2Ag and KAg2, while no Ag-Ag bonds are present in K3Ag. These results indicate the Zintl-Klemm model may be too simplistic to describe the structure and bonding in high-pressure binary intermetallic compounds.
Unveiling the dynamics of urbanization and ecosystem services: insights from the Su-Xi-Chang Region, China
Authors: Wang Yue , Fu Qi , Guo Jie , Wang Tinghui , Chen Jinhua
Published: July 2024

Assessing the impact of past and future urban land expansion on ecosystem services (ESs) is essential for the sustainable management of urban landscapes. Despite recent progress, it remains challenging to determine the influence mechanism of different urbanization stages and areas on ESs and their trade-offs/synergies. Here, we analyzed the responses of four ESs and their trade-offs/synergies to the spatial and temporal differentiation of urbanization in the Su-Xi-Chang region of China from 1990 to 2050. The results showed that the relationship between ESs and urbanization followed a U-shaped curve from 1990 to 2050. Between 1990 and 2020, urbanization weakened trade-offs and enhanced lose-lose situations, exhibiting an S-shaped curve. From 2020 to 2050, lose-lose situations are expected to diminish, and the curve is projected to display a downward trend. Our findings suggest the implementation of compact urban development, sustainable agricultural practices, reforestation, and the conversion of farmland to lakes.
Synergistic convergence of materials and enzymes for biosensing and self-sustaining energy devices towards on-body health monitoring
Authors: Khumngern Suntisak , Jeerapan Itthipon
Published: July 2024

Wearable enzyme-based biosensors enable advanced healthcare diagnostics through the monitoring of biomarkers and physiological states. The integration of materials engineering and enzyme conjugation has established the groundwork for advancements in modern analytical chemistry, poised to extend the frontiers of wearable biosensing further. Recent advancements in enzymatic biofuel cells have also enhanced devices by harnessing biofuels, such as glucose and lactate in biofluids. Importantly, biofuel cells offer the potential for self-powered biosensors. Here, we present an overview of the principles and considerations associated with engineering materials and integrating enzymes with electrodes to achieve effective wearable biosensing and self-sustaining biofuel cell-based energy systems. Furthermore, we discuss challenges encountered by enzymatic sensors and biofuel cells. Representative applications of wearable devices in healthcare settings are highlighted, along with a summary of real sample analyses, emphasizing the concentration ranges of analytes present in actual sweat samples to underscore their relevance in real-world scenarios. Finally, the discussion explores the anticipated impact of future material innovations and integrations on the development of next-generation wearable biodevices.
Microchannel pressure sensor for continuous and real-time wearable gait monitoring
Authors: Ahn Jung-Bin , Yoo Byungseok , Pines Darryll J. , Kuo Chia-Ying , Wang Mingyi , Bejjanki Naga Sai Gouthami , Kim Soaram
Published: July 2024

A highly sensitive and multi-functional pressure sensor capable of continuous pressure readings is greatly needed, particularly for precise gait pattern analysis. Here, we fabricate a sensitive and reliable pressure sensor by employing eutectic gallium indium (EGaIn) liquid metal as the sensing material and EcoFlex 00-30 silicone as the substrate, via a low-cost process. The device architecture features a microchannel, creating two independent sensing devices, and the mechanical properties of the substrate and sensing material contribute to high stretchability and flexibility, resulting in a sensitivity of 66.07 MPa−1 and a low measurement resolution of 0.056 kPa. The sensor detects applied pressure accurately and can distinguish pressure distribution across a wide area. We demonstrate high efficiency for monitoring human walking gait at various speeds when a single sensor is attached to the foot, and can differentiate between walking postures. This device has strong potential for clinical and rehabilitation applications in gait analysis.
Arctic sea ice loss warmed the temperate East Asian winter in the mid-Holocene
Authors: Dong Jiang , Shi Xuefa , Dai Haijin , Lu Zhengyao , Liu Xiting , Astakhov Anatolii S. , Hu Limin , Yang Gang , Vasilenko Yuri , Bosin Alexander , Gao Jingjing , Liu Yanguang , Zou Jianjun , Yao Zhengquan , Li Anchun
Published: July 2024

The recent colder winters in midlatitude Eurasia have been proposed to result from Arctic sea-ice decline. However, large uncertainties remain regarding this link in the present variable climate. Here, we present ice-rafted debris records from the eastern Arctic and geochemical data from the temperate East China Sea to reconstruct Holocene changes in sea ice and the East Asian winter monsoon. Our reconstructions and climate numerical simulations revealed enhanced Arctic sea-ice decline but warmer winters in East Asia in the mid-Holocene than in the late Holocene. In the warmer mid-Holocene, enhanced Arctic sea-ice loss transferred more heat from intensive summer solar insolation to the winter atmosphere, suppressing meridional heat transport; thus, less high-latitude cold air moved to lower latitudes in Asia due to the weakened winter monsoon. Our findings imply that the colder winters in East Asia may not change the long-term trend toward winter warming in the context of Arctic sea-ice decline.
Explainable AI decision support improves accuracy during telehealth strep throat screening
Authors: Gomez Catalina , Smith Brittany-Lee , Zayas Alisa , Unberath Mathias , Canares Therese
Published: July 2024

Background

Artificial intelligence-based (AI) clinical decision support systems (CDSS) using unconventional data, like smartphone-acquired images, promise transformational opportunities for telehealth; including remote diagnosis. Although such solutions’ potential remains largely untapped, providers’ trust and understanding are vital for effective adoption. This study examines how different human–AI interaction paradigms affect clinicians’ responses to an emerging AI CDSS for streptococcal pharyngitis (strep throat) detection from smartphone throat images.

Methods

In a randomized experiment, we tested explainable AI strategies using three AI-based CDSS prototypes for strep throat prediction. Participants received clinical vignettes via an online survey to predict the disease state and offer clinical recommendations. The first set included a validated CDSS prediction (Modified Centor Score) and the second introduced an explainable AI prototype randomly. We used linear models to assess explainable AI’s effect on clinicians’ accuracy, confirmatory testing rates, and perceived trust and understanding of the CDSS.

Results

The study, involving 121 telehealth providers, shows that compared to using the Centor Score, AI-based CDSS can improve clinicians’ predictions. Despite higher agreement with AI, participants report lower trust in its advice than in the Centor Score, leading to more requests for in-person confirmatory testing.

Conclusions

Effectively integrating AI is crucial in the telehealth-based diagnosis of infectious diseases, given the implications of antibiotic over-prescriptions. We demonstrate that AI-based CDSS can improve the accuracy of remote strep throat screening yet underscores the necessity to enhance human–machine collaboration, particularly in trust and intelligibility. This ensures providers and patients can capitalize on AI interventions and smartphones for virtual healthcare.
Synthesis, Properties, and Biological Applications of 1,2,4-Thiadiazoles
Authors: Mohite Popat , Bhoge Nitin , Dengale Sujata G. , Darekar Nirmala R.
Published: July 2024

This chapter provides a comprehensive overview of recent advances in the preparation and biological applications of 1,2,4-thiadiazole, a versatile heterocyclic compound with diverse pharmacological properties. This chapter begins with the exploration of various synthetic strategies, ranging from traditional methods to sustainable and green approaches, highlighting their impact on synthetic efficiency and environmental considerations. The focus is then shifted to the biological applications of 1,2,4-thiadiazole derivatives, which show pharmacological activities, such as antioxidant, antimicrobial, anti-inflammatory, and anticancer properties. Structure–activity relationship studies are discussed which offer valuable insights into the molecular features influencing the bioactivity of these compounds. The relevance of 1,2,4-thiadiazoles in addressing contemporary health challenges is emphasized, and the potential of this scaffold for drug design and development is underscored. The documented pharmacological effects of 1,2,4-thiadiazole derivatives highlight their promising role in the development of therapeutic agents with enhanced efficacy and selectivity. The optimization of synthetic routes, scalability improvements, and exploration of innovative drug delivery systems are identified as crucial areas for future investigation. Ultimately, this chapter positions 1,2,4-thiadiazole as a pivotal candidate in the medicinal field, poised to make significant contributions to the pharmaceutical landscape.
Comparison of test strip, conductivity, and novel smartphone digital image colorimetry methods for field assessment of soil chloride and salinity
Authors: Muir Michael R. , Innes Andrew
Published: July 2024

Understanding the extent of salt-affected soils is important in agriculture for irrigation, crop selection and land management, and affordable smartphone-based techniques can broaden access to environmental analysis in resource-limited settings.
Bimetallic nanozymes synergize to regulate the behavior of oxygen intermediates and substrate HMF adsorption
Authors: Shi Lei , Li Qiang , Liu Shuang , Liu Xinyang , Yang Shucheng , Chen Chunxia , Li Zhijun , Liu Song
Published: July 2024

The density functional theory (DFT) calculations and experimental results revealed the important role of bimetallic synergistic effect, accelerating the catalytic conversion of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA).
Origin of ργ/T scaling of primary and secondary conductivity relaxation times in mixture of water with protic ionic liquid
Authors: Ngai K. L.
Published: July 2024

The Coupling Model explains the experimental finding of ργ/T scaling of both the primary and secondary conductivity relaxation times in mixture of water with protic ionic liquid by Murali et al.
Organic cations in halide perovskite solid solutions: exploring beyond size effects
Authors: Minussi F. B. , Silva R. M. , Moraes J. C. S. , Araújo E. B.
Published: July 2024

Organic A-site substituting cations with same sizes have remarkably different effects on the structure, phase transitions, electrical behavior, and stability of halide perovskite solid solutions.
On the synergetic effects of cyclic cooperativity in water clusters
Authors: Shivhare Ayush , Dehariya Bharti , Gadre Shridhar R. , Deshmukh Milind M.
Published: July 2024

Synergetic (additivity) cyclic cooperativity contributions determine the HB strength in water clusters.
Chemistry in a graph: modern insights into commercial organic synthesis planning
Authors: Avila Claudio , West Adam , Vicini Anna C. , Waddington William , Brearley Christopher , Clarke James , Derrick Andrew M.
Published: July 2024

We present graph databases as a modern solution for storing and accessing chemical knowledge. This approach is demonstrated in commercial route selection and holds the potential to create a universal data-sharing framework for chemistry.
Wavefront-enhanced laser-induced breakdown spectroscopy (WELIBS) with lasers at multi-wavelengths via crystalline quartz
Authors: Elhassan Asmaa , El-Saeid Raghda Hosny , Abdelazeem Rania M. , Abdel-Salam Zienab , Abdel-Harith Mohamed
Published: July 2024

The current work proposes developing the wavefront-enhanced laser-induced-breakdown spectroscopy (WELIBS) approach using a crystalline quartz slide instead of the crystalline silicon wafer.
A novel microfluidic tool for the evaluation of local drug delivery systems in simulated in vivo conditions
Authors: Oates William A. , Anastasiou Antonios D.
Published: July 2024

A novel 3D-printed microfluidic tool for assessing local drug delivery systems (LDD) in simulated in vivo conditions.
N and P-type zwitterion gated organic field effect transistors
Authors: Kaur Jasleen , Kaur Harsimrat , Kaake Loren G.
Published: July 2024

Blending zwitterions with poly(vinyl alcohol) creates a high capacitance material when humidified. This material facilitates both n-type and p-type transistor function at low voltages.
Two-dimensional layered material photodetectors: what could be the upcoming downstream applications beyond prototype devices?
Authors: Ma Yuhang , Liang Huanrong , Guan Xinyi , Xu Shuhua , Tao Meiling , Liu Xinyue , Zheng Zhaoqiang , Yao Jiandong , Yang Guowei
Published: July 2024

The applications of 2D material photodetectors in extensive fields, including imaging, health monitoring, tracking, logic operation, ultraviolet monitoring, communications, automatic driving, and acoustic signal detection, have been introduced.
Observation of piezoelectricity in a lead-free Cs2AgBiBr6 perovskite: a new entrant in the energy harvesting arena
Authors: Paul Tufan , Sahoo Aditi , Maiti Soumen , Mandal Suvankar , Bhattacharjee Souvik , Maity Avisek , Chattopadhyay Kalyan Kumar
Published: July 2024

Halide perovskite materials have recently been recognised as powerful ferroelectric and piezoelectric materials with applications in the energy harvesting arena, but their experimental proof is very limited.
Biomimetic gas sensor derived from pine tree for highly sensitive and selective detection of C2H6O2
Authors: Li Chuanxi , Han Yibo , Gao Bing , Tian Ning , Wu Zhaofeng
Published: July 2024

Pine tree was successfully carbonized into carbon materials with a similar structure to that of dog turbinate at different temperatures, realizing the high sensitivity, stability and selective detection of C2H6O2.
A cubic Cu2O@Ag bioprobe for label-free SERS classification of hepatic fibrosis and hepatocellular carcinoma
Authors: Xie Yujiao , Li Xue , Xu Lei , Zhang Chenguang , Ren Yong , Shi Xiaofeng , Fu Liyun , Wang Jing , Xu Xiawei , Liu Yue , Hu Yue , Zhang Zhouxu , Zhang Jiahao , Yao Ting , Ren Wenzhi , Chen Tianxiang , Qian Xiaoyu , Wang Xiaotian , Lin Jie , Wu Aiguo
Published: July 2024

In this study, a cubic Cu2O@Ag core–shell substrate for label-free SERS was constructed and machine-learning-assisted linear discriminant analysis was used for identification of hepatic fibrosis and hepatocellular carcinoma.
Visible-light-induced selective hydrolipocyclization and silylation of alkenes: access to ring-fused quinazolin-4(3H)-ones and their silicon-substituted derivatives
Authors: Wang Shoucai , Chen Ziren , Xue Fei , Zhang Yonghong , Wang Bin , Wu Shaofeng , Xia Yu , Zhao Xiuli , Jiang Guangbin , Ji Fanghua , Liu Chenjiang
Published: July 2024

A visible-light-induced intermolecular silylation and hydrolipocyclization using hydrosilane as the hydrogen and silicon source has been developed, which provided an efficient pathway for the synthesis of organosilanes and polycyclic quinazolinones.
Influence of gadolinium doping on structural, optical, and electronic properties of polymeric graphitic carbon nitride
Authors: Kesavan Ganesh , Sorescu Dan C. , Ahamed Raihan , Damodaran Krishnan , Crawford Scott E. , Askari Faezeh , Star Alexander
Published: July 2024

Synthesis of gadolinium-doped graphitic carbon nitrideviathermal polymerization and study of its electronic properties.
Preparation of a CPVC composite loose nanofiltration membrane based on plant polyphenols for effective dye wastewater treatment
Authors: Khatoon Noor , Ali Nadir , Ali Sagar , Chen Zhang , Jun Wang , Yang Honghai
Published: July 2024

A novel CPVC nanofiltration membrane was developed to separate salts and dyes in textile wastewater. Adjusted TA/PEI and GA/PEI coatings led to improve water flux and rejection rates, offering a solution for effective dye and salt fractionation.
A physics-aware neural network for protein–ligand interactions with quantum chemical accuracy
Authors: Glick Zachary L. , Metcalf Derek P. , Glick Caroline S. , Spronk Steven A. , Koutsoukas Alexios , Cheney Daniel L. , Sherrill C. David
Published: July 2024

Quantifying intermolecular interactions with quantum chemistry (QC) is useful for many chemical problems, including understanding the nature of protein–ligand interactions.
In vitro selection of N1-methyladenosine-sensitive RNA-cleaving deoxyribozymes with 105-fold selectivity over unmethylated RNA
Authors: Shi Jiarong , Zhang Qiang , Wu Yunping , Chang Yangyang , Liu Meng
Published: July 2024

We describe the creation and characterization of an RNA-cleaving DNAzyme, RCD1-S2m1A, that is sensitive to the presence of N1-methyladenosine (m1A) in RNA/DNA chimera, thereby displaying a rate enhancement of 105-fold over unmethylated RNA.
Prediction of the ground state for indenofluorene-type systems with Clar's π-sextet model
Authors: George Gibu , Stasyuk Anton J. , Solà Miquel
Published: July 2024

The Ground State Stability (GSS) rule predicts the ground state of indenofluorene-type systems: a triplet is favored if the open-shell (OS) form has double or more the number of π-sextets as the closed-shell form; otherwise, an OS singlet is favored.
Isomer engineering for deep understanding of aggregation-induced photothermal enhancement in conjugated systems
Authors: Gu Peiyang , He Tengfei , Wang Zuoyu , Wang Shifan , Dong Liming , Yao Hanning , Jia Tao , Long Guankui , Liu Guangfeng , Sun Hua
Published: July 2024

Two isomeric molecules are synthesized with varied sulfur atom positions. TBP–MPA exhibits aggregation-induced photothermal enhancement due to S⋯N non-covalent interactions, providing extra non-radiative transition channels in the aggregated state.
Highly efficient WS2 QD-based non-enzymatic fluorescent biosensor for ofloxacin and ciprofloxacin monitoring in aquatic media
Authors: Bora Sunayana , Upadhyay Chandan
Published: July 2024

We demonstrated a WS2 QDs-induced fluorescence probe for monitoring ofloxacin (OFL) and ciprofloxacin (CIP) in water in the range of 0–3 μM, showing enhanced fluorescence, high sensitivity and anti-interference ability.
Detection of surfactants using a hydrophobic natural deep eutectic solvent and smartphone
Authors: dos Santos Vagner Bezerra , Ayres Lucas B. , de Sousa Helayne Santos , Garcia Carlos D. , Toito Suarez Willian
Published: July 2024

Development and application of a hydrophobic NADES for the extraction of surfactants in water and subsequent detection using digital imaging.
A Monte Carlo simulation of tracer diffusion in amorphous polymers
Authors: Mansuri Ali , Vora Paras , Feuerbach Tim , Winck Judith , Vermeer A. W. P. , Hoheisel Werner , Kierfeld Jan , Thommes Markus
Published: July 2024

Employing continuous-time random walk, we discuss different aspects of tracer diffusion in amorphous polymers focusing on the waiting time distribution and the fractional exponent governing the relation between rotational times and waiting times.
Multi‐objective interval planning for 5G base station virtual power plants considering the consumption of photovoltaic and communication flexibility
Authors: Zhang Dawei , Cui Xudong , Xu Changbao , Lv Shigao , Zhao Lianhe
Published: July 2024

Large‐scale deployment of 5G base stations has brought severe challenges to the economic operation of the distribution network, furthermore, as a new type of adjustable load, its operational flexibility has provided a potential way to promote the consumption and utilization of photovoltaic. In this paper, a multi‐objective interval collaborative planning method for virtual power plants and distribution networks is proposed. First, on the basis of in‐depth analysis of the operating characteristics and communication load transmission characteristics of the base station, a 5G base station of virtual power plants participating in the cellular respiratory demand response model is constructed. In view of the inherent contradiction between system economy and environmental performance, a multi‐objective interval optimization model for collaborative planning of virtual power plants and distribution networks is established with the lowest system investment and operating costs and the lowest carbon emissions as the optimization goals. The established model is transformed into a deterministic optimization problem, which is solved by NSGA‐II algorithm. The modified IEEE‐33 node system is used in the case analysis to analyse the impact of different planning schemes and response characteristics on the system economy. The calculation results verify the effectiveness of the proposed method.
Investigating the nuclear properties of highly accreting active galactic nuclei with XMM-Newton
Authors: Laurenti M. , Tombesi F. , Vagnetti F. , Piconcelli E. , Guainazzi M. , Vignali C. , Paolillo M. , Middei R. , Bongiorno A. , Zappacosta L.
Published: July 2024

Highly accreting active galactic nuclei (AGNs) have unique features that make them ideal laboratories for studying black hole accretion physics under extreme conditions. However, our understanding of the nuclear properties of these sources is hampered by the lack of a complete systematic investigation of this AGN class in terms of their main spectral and variability properties, and by the relative paucity of them in the local Universe, especially those powered by supermassive black holes with MBH > 108 M⊙. To overcome this limitation, we present here the X-ray spectral analysis of a new, large sample of 61 highly accreting AGNs named as the XMM-Newton High-Eddington Serendipitous AGN Sample, or X-HESS, obtained by cross-correlating the 11th release of the XMM-Newton serendipitous catalogue and the catalogue of spectral properties of quasars from the SDSS DR14. The X-HESS AGNs are spread across wide intervals with a redshift of 0.06 < z < 3.3, a black hole mass of 6.8 < log(MBH/M⊙) < 9.8, a bolometric luminosity of 44.7 < log(Lbol/erg s−1) < 48.3, and an Eddington ratio of −0.2 < log λEdd < 0.5, and more than one third of these AGNs can rely on multiple observations at different epochs, allowing us to complement their X-ray spectroscopic study with a variability analysis. We find a large scatter in the Γ − λEdd distribution of the highly accreting X-HESS AGNs, in agreement with previous findings. A significant correlation is only found by considering a sample of lower-λEdd AGNs with λEdd ≲ 0.3. We get hints that the Γ − λEdd relation appears to be more statistically sound for AGNs with lower MBH and/or Lbol. We investigate the possibility of transforming the Γ − λEdd plane into a fully epoch-dependent frame by calculating the Eddington ratio from the simultaneous optical/UV data from the optical monitor, λEdd, O/UV. Interestingly, we recover a significant correlation with Γ and a spread roughly comparable to that obtained when Lbol is estimated from SDSS spectra. Finally, we also get a mild indication of a possible anti-correlation between Γ and the strength of the soft excess, providing hints that reflection from an ionised disc may be effective in at least a fraction of the X-HESS AGNs, though Comptonisation from hot and warm coronae cannot be ruled out as well.
Symmetry reduction and recovery of trajectories of optimal control problems via measure relaxations
Authors: Augier Nicolas , Henrion Didier , Korda Milan , Magron Victor
Published: July 2024

We address the problem of symmetry reduction of optimal control problems under the action of a finite group from a measure relaxation viewpoint. We propose a method based on the moment-Sum of Squares (SOS) aka Lasserre hierarchy which allows one to significantly reduce the computation time and memory requirements compared to the case without symmetry reduction. We show that the recovery of optimal trajectories boils down to solving a symmetric parametric polynomial system. Then we illustrate our method on the symmetric integrator and the time-optimal inversion of qubits.
Dispersive problem and control sets of linear control systems on Lie groups
Authors: Souza Josiney A.
Published: July 2024

This paper is dedicated to the study of dispersiveness and controllability of linear control systems on Lie groups. Dispersiveness means absence of recursiveness, that is contrary to the existence of control set. A linear control system on a Lie group associates with a derivation operator. For a linear system with stable derivation, it is shown that the system is dispersive if and only if the trajectories through the neutral element have no limit at infinity. As a consequence, a nonempty limit set at the neutral element is a necessary condition for the linear system to admit a control set or to be controllable. In the nondispersive case, the control sets are described by the Lie subgroup of all recurrent points of the automorphism flow of the system. If the derivation operator is asymptotically stable, the central limit set at the neutral element is the unique control set of the system.
Development and Prospect of Electrode Materials for Sodium Ion Batteries
Authors: Liu Guangtai , Liu Ruocheng , Qiu Xiaoyu
Published: July 2024

Sodium-ion batteries, with the advantages of low cost and abundant resources, have become an effective complement to lithium-ion batteries in application scenarios such as large-scale energy storage systems and short-distance electric vehicles. Nevertheless, sodium-ion batteries generally lag behind lithium-ion batteries in energy density. The aim of this paper is to provide an overview of current research results on anode and cathode materials and to provide insights into the challenges faced by various materials, such as the deficiencies of hard carbon materials for the anode in terms of sodium storage capacity and stability at the solid electrolyte interface (SEI), and the poor air stability and susceptibility to phase transitions of layered oxides for the cathode. Further, the report proposes several innovative solutions with the goal of developing better sodium ion electrode materials. These strategies include, but are not limited to: improving the microstructure of hard carbon through nano-engineering techniques to enhance its sodium storage capacity; and employing surface coating or doping methods to improve the air stability of cathode materials. Through these research endeavors, this paper expect to provide a solid scientific foundation and new perspectives for the advancement and application expansion of sodium-ion battery technology.
The problems with solid-state sodium ion battery electrolytes and their solutions
Authors: Dong Zengze , Li Linghan , Li Yiming
Published: July 2024

In the context of the continuous growth of global demand for energy storage, electrochemical energy storage systems stand out among many energy storage technologies due to their excellent performance. At present, batteries as one of the most mainstream forms of electrochemical energy storage, such as fuel cells, lithium-ion batteries, and solid-state batteries, have been widely used. In particular, as the safety hazards existing in lithium-ion batteries due to the inclusion of organic electrolytes have gradually been recognized, solid-state batteries have received extensive attention and in-depth research for their higher safety performance. As an emerging electrochemical energy storage device, the most prominent feature of solid sodium-ion batteries is that they use solid electrolytes instead of traditional liquid electrolytes, which greatly improves the safety of batteries theoretically. Unfortunately, while solid electrolytes exhibit excellent chemical stability and good electrochemical performance, they still face a number of challenges in practical applications, including low ionic conductivity, poor interface contact, and short life span. In this paper, the characteristics, challenges, and solutions of electrolytes in solid-state sodium-ion batteries are discussed.
Research progress on lithium nickel manganese oxide cathode materials for lithium-ion batteries
Authors: Deng Xian
Published: July 2024

Lithium-ion batteries (LIBs) play a key role in the global electrification of automobiles, and their long cycle life and high energy density make them the most widely used battery technology today. In LIBs, lithium-nickel-manganese oxide (LNMO) cathodes are becoming a hot research topic because this material, as an alternative to LiCoO2, not only has higher energy density and lower cost, but also exhibits better safety performance. Compared to traditional LiCoO2, LNMO can provide higher energy density, which means it can store more power in the same volume or weight, thus meeting the demand for long range in application scenarios such as electric vehicles. At the same time, LNMO is also relatively low in cost, which helps to reduce the overall manufacturing cost of lithium-ion batteries and promote their application in a wider range of fields. This paper first introduces the working principle of LIBs. Then, the crystal structure and electrochemical properties of LNMO are presented. Finally, the modification of LNMO by elemental doping and surface coating is emphasized to improve the performance of LIBs, aiming to serve as a reference for future research on LIBs.
A new efficient catalyst: Metal-organic frameworks in electrocatalysis
Authors: Xiao Yue
Published: July 2024

Global warming and ecological degradation are becoming major environmental problems in the world today. To reduce energy loss and advocate green chemistry, the development of new energy sources is very important. Electrocatalytic technology has low environmental pollution and carbon emission because only electrons are involved and there is no need to add external fuel. And metal-organic framework (MOF), with its porous structure and large surface area, can provide an ideal reaction platform for electrocatalytic reactions. This paper first introduces the discovery and development of MOF materials, followed by a discussion of the current methods for designing MOFs from several perspectives, including pore size, conductivity, and active sites. Then the development of MOF materials with transition metal ions was analysed from the perspective of the elements Fe, Co, and Ni, which exhibit higher reaction rates in comparison with ordinary MOF materials in hydrogen precipitation reaction, oxygen absorption reaction and other reactions. Finally, this paper introduced several synthetic ideas and methods of MOF and reviewed the methods to synthesise MOF electrocatalytic materials.
The metal organic framework in environment applications
Authors: Chen Shiya , Wang Yiyang , Zhang Chengyu
Published: July 2024

With the continuous advancement of science and technology and the growing demand for energy, environmental protection and life safety, metal-organic frameworks (MOFs) have become an important material in today’s world. MOFs consist of metal ions or metal clusters coordinated with organic ligands with highly porous and tunable chemical properties, which provide a unique platform for environmental applications. Precise pore size screening and functional site design enable them to effectively adsorb, filter and catalyse the degradation of harmful pollutants. This ability to target specific pollutants makes MOFs an efficient tool for water purification, contributing significantly to the protection of our aquatic ecosystems.With high porosity and high specific surface area, MOFs can significantly improve the efficiency and stability of hydrogen storage, thereby addressing key challenges associated with the development of new energy industries. Such innovations are critical in the search for sustainable energy solutions and the transition to a greener future.MOFs can also be used to ensure the safety of life.MOFs are valuable in a variety of industrial environments due to their ability to trap, separate and degrade volatile organic compounds.
Distribution of Oil Shale and Its Comprehensive Use
Authors: Bao Ming
Published: July 2024

As a potential alternative energy source, oil shale has richer reserves than traditional fossil fuels. Its comprehensive utilisation has been extended to many fields, improving resource utilisation, and reducing costs and environmental pollution. By analysing the resource characteristics, development technology, utilisation mode, policy measures, and environmental impacts of oil shale, this paper summarises the current status of the development of China’s oil shale industry and the existing problems and puts forward development prospects and suggestions. The study found that oil shale development faces challenges such as complex geological conditions, immature technology, imperfect policies, and high environmental impacts. However, through technological innovation and policy support, resource utilisation can be effectively improved, costs reduced and environmental pollution reduced. This paper is expected to provide reasonable suggestions for the rational development and efficient use of oil shale resources in China. The strategic and effective exploitation of oil shale resources in China has the potential to decrease reliance on conventional oil and gas sources, bolster energy self-sufficiency and stability, and significantly contribute to the restructuring of the global energy landscape, contributing to the realisation of energy diversification and sustainable development.
A review of the harm of environmental pollutants to human health: Take microplastic, insecticide, and PFAS as examples
Authors: Zheng Yafei
Published: July 2024

Environmental pollution is a key issue of social concern. Pollutants generated by a variety of human activities are eventually discharged into the atmosphere, water bodies, and soil, and these pollutants have great negative impacts on the human body. Taking Microplastics (MPs), pesticides, Per- and polyfluoroalkyl substances (PFAS) as examples, this paper explores the sources of three new types of pollutants in the environment and the hazards to the human body respectively, and proposes corresponding management measures in the hope of raising people’s awareness of environmental protection. The results show that MPs mainly come from industrial and agricultural applications and poorly managed wastes, with potential reproductive toxicity and immunotoxicity to the human body; pesticides mainly come from agricultural applications, and high concentrations of pesticides can lead to acute toxicity in the human body, while low concentrations of pesticides may have an immunosuppressive effect on the human body; PFAS mainly come from industrial production, and it has been established that non-alcoholic fatty liver disease (NAFLD) is linked to PFAS exposure. Restricting the production and use of related products and strengthening supervision and monitoring can effectively control environmental pollution and reduce harm to human beings.
Research progress on sources, harms and countermeasures of marine pollution
Authors: Huang Jingming
Published: July 2024

Human behavior is posing a serious threat to the ecological environment of the global ocean. This paper explores three important issues related to the marine environment: nuclear pollution, ocean acidification and marine microplastic pollution. First, the problem of nuclear pollution focuses on the potential threat to marine ecosystems and human health from nuclear sewage discharge from the nuclear power plant in Japan. Although the Japanese government has taken some response measures, the relevant risks and impacts still need attention to and addressed. It is suggested to strengthen supervision and management, promote technological innovation, and reasonably support the affected communities. Second, the ocean acidification problem is exacerbated by excessive atmospheric carbon dioxide emissions, which has a serious impact on marine life and ecosystems. The article advocates reducing global greenhouse gas emissions, promoting renewable energy development, and strengthening international cooperation and scientific research to protect marine ecosystems. Finally, in response to marine microplastic pollution, it calls for strengthening the development and use of plastic alternatives, improving waste management and treatment, and promoting innovation in microplastic detection and removal technologies. Addressing these issues requires the combined efforts of governments, researchers and the public, including enhanced monitoring, research and development of effective management policies.
An efficient hexavalent chromium scavenger: Polyaniline
Authors: Li Yifeng
Published: July 2024

Hexavalent chromium ions are a significant type of heavy metal pollutant in water, posing a severe threat to the environment and biological health. Various methods are employed for treating heavy metal wastewater, including traditional, biological, physical, and chemical adsorption, and membrane separation methods. This study focuses on utilizing chemical oxidation polymerization to synthesize polyaniline, followed by structural characterization and performance evaluation. The research shows the material’s exceptional adsorption capacity for Cr(VI) ions under different conditions. The experiments specifically demonstrate a direct relationship between the rate of removal and the proportion of adsorbent utilized in comparison to the Cr(VI) initial concentration. Furthermore, adjusting the pH level during testing shows an increase in the removal rate as the pH decreases, with a peak removal rate of 57.94% at pH 1.02. By aligning with a pseudo-second-order kinetic model, the material demonstrates its potential for efficient and effective removal of Cr(VI) contaminants.
Activated Carbons and Chitosan Adsorbents in Removing Contaminants from Water
Authors: Xu Ruihan
Published: July 2024

Being more and more widely used for a variety of water treatments, chitosan and activated carbons are playing an increasingly significant part nowadays. Activated carbons purify water through the pore structure and adsorb ions or other particles. Chitosan also adsorb a large amount of metallic ions and purifies water through the reactions by the functional groups. This paper discusses the different features of the two substances and then gives a comparison between the two types of adsorbents by comparing their characteristics, conditions and applications. Specifically, the suitable temperatures, the specific modifications and solubility are discussed, together with other factors. The difference in their physical and chemical properties plays an important role in the comparison. For physical properties, the activated carbons have strong mechanical strength and are soluble in many types of solvents. By contrast, chitosan is generally soluble in an acidic solution. There are also some differences in the adsorption abilities and ways to purify solutions. Next, chitosan is more easily dissolved in solution with low PH and at room temperature. However, the activated carbons require lower PH and lower temperature to be dissolved. Then, activated carbons are more likely to cause secondary pollution due to the impurities in the activated carbons. The two substances require different modifications to increase the rate of adsorption. As a result, the firms should consider the features of the two types of adsorbents and choose the better one. They should also understand the suitable conditions for each adsorbent.