bluuebunny/crossref_metadata_2025 huggingface dataset:
Development of a multidecadal land reanalysis over High Mountain Asia
Authors: Maina Fadji Z. , Xue Yuan , Kumar Sujay V. , Getirana Augusto , McLarty Sasha , Appana Ravi , Forman Bart , Zaitchik Ben , Loomis Bryant , Maggioni Viviana , Zhou Yifan
Published: July 2024

Anthropogenic and climatic changes affect the water and energy cycles in High Mountain Asia (HMA), home to over two billion people and the largest reservoirs of freshwater outside the polar zone. Despite their significant importance for water management, consistent and reliable estimates of water storage and fluxes over the region are lacking because of the high uncertainties associated with the estimates of atmospheric conditions and human management. Here, we relied on multivariate data assimilation (MVDA) to provide estimates of energy and water storage and fluxes that reflect the processes occurring in the region such as greening and irrigation-driven groundwater depletion. We developed and employed an ensemble precipitation estimate by blending different precipitation products thereby reducing the uncertainties and inconsistencies associated with precipitation in HMA. Then, we assimilated five variables that capture the changes in hydrology in response to climate change and anthropogenic activities. Overall, our results have shown that MVDA has allowed a better representation of the land surface processes including greening and irrigation-driven groundwater depletion in HMA.
A Lung Nodule Dataset with Histopathology-based Cancer Type Annotation
Authors: Jian Muwei , Chen Hongyu , Zhang Zaiyong , Yang Nan , Zhang Haorang , Ma Lifu , Xu Wenjing , Zhi Huixiang
Published: July 2024

Recently, Computer-Aided Diagnosis (CAD) systems have emerged as indispensable tools in clinical diagnostic workflows, significantly alleviating the burden on radiologists. Nevertheless, despite their integration into clinical settings, CAD systems encounter limitations. Specifically, while CAD systems can achieve high performance in the detection of lung nodules, they face challenges in accurately predicting multiple cancer types. This limitation can be attributed to the scarcity of publicly available datasets annotated with expert-level cancer type information. This research aims to bridge this gap by providing publicly accessible datasets and reliable tools for medical diagnosis, facilitating a finer categorization of different types of lung diseases so as to offer precise treatment recommendations. To achieve this objective, we curated a diverse dataset of lung Computed Tomography (CT) images, comprising 330 annotated nodules (nodules are labeled as bounding boxes) from 95 distinct patients. The quality of the dataset was evaluated using a variety of classical classification and detection models, and these promising results demonstrate that the dataset has a feasible application and further facilitate intelligent auxiliary diagnosis.
Genome-scale community modelling elucidates the metabolic interaction in Indian type-2 diabetic gut microbiota
Authors: Beura Satyajit , Kundu Pritam , Das Amit Kumar , Ghosh Amit
Published: July 2024

Type-2 diabetes (T2D) is a rapidly growing multifactorial metabolic disorder that induces the onset of various diseases in the human body. The compositional and metabolic shift of the gut microbiota is a crucial factor behind T2D. Hence, gaining insight into the metabolic profile of the gut microbiota is essential for revealing their role in regulating the metabolism of T2D patients. Here, we have focused on the genome-scale community metabolic model reconstruction of crucial T2D-associated gut microbes. The model-based analysis of biochemical flux in T2D and healthy gut conditions showed distinct biochemical signatures and diverse metabolic interactions in the microbial community. The metabolic interactions encompass cross-feeding of short-chain fatty acids, amino acids, and vitamins among individual microbes within the community. In T2D conditions, a reduction in the metabolic flux of acetate, butyrate, vitamin B5, and bicarbonate was observed in the microbial community model, which can impact carbohydrate metabolism. The decline in butyrate levels is correlated with both insulin resistance and diminished glucose metabolism in T2D patients. Compared to the healthy gut, an overall reduction in glucose consumption and SCFA production flux was estimated in the T2D gut environment. Moreover, the decreased consumption profiles of branch chain amino acids (BCAAs) and aromatic amino acids (AAAs) in the T2D gut microbiota can be a distinct biomarker for T2D. Hence, the flux-level analysis of the microbial community model can provide insights into the metabolic reprogramming in diabetic gut microbiomes, which may be helpful in personalized therapeutics and diet design against T2D.
Predicting 28-day compressive strength of fibre-reinforced self-compacting concrete (FR-SCC) using MEP and GEP
Authors: Inqiad Waleed Bin , Siddique Muhammad Shahid , Ali Mujahid , Najeh Taoufik
Published: July 2024

The utilization of Self-compacting Concrete (SCC) has escalated worldwide due to its superior properties in comparison to normal concrete such as compaction without vibration, increased flowability and segregation resistance. Various other desirable properties like ductile behaviour, increased strain capacity and tensile strength etc. can be imparted to SCC by incorporation of fibres. Thus, this study presents a novel approach to predict 28-day compressive strength (C–S) of FR-SCC using Gene Expression Programming (GEP) and Multi Expression Programming (MEP) for fostering its widespread use in the industry. For this purpose, a dataset had been compiled from internationally published literature having six input parameters including water-to-cement ratio, silica fume, fine aggregate, coarse aggregate, fibre, and superplasticizer. The predictive abilities of developed algorithms were assessed using error metrices like mean absolute error (MAE), a20-index, and objective function (OF) etc. The comparison of MEP and GEP models indicated that GEP gave a simple equation having lesser errors than MEP. The OF value of GEP was 0.029 compared to 0.031 of MEP. Thus, sensitivity analysis was performed on GEP model. The models were also checked using some external validation checks which also verified that MEP and GEP equations can be used to forecast the strength of FR-SCC for practical uses.
OCT1 (SLC22A1) transporter kinetics and regulation in primary human hepatocyte 3D spheroids
Authors: Mickols Evgeniya , Meyer Alina , Handin Niklas , Stüwe Malin , Eriksson Jens , Rudfeldt Jakob , Blom Kristin , Fryknäs Mårten , Sellin Mikael E. , Lauschke Volker M. , Karlgren Maria , Artursson Per
Published: July 2024

3D spheroids of primary human hepatocytes (3D PHH) retain a differentiated phenotype with largely conserved metabolic function and proteomic fingerprint over weeks in culture. As a result, 3D PHH are gaining importance as a model for mechanistic liver homeostasis studies and in vitro to in vivo extrapolation (IVIVE) in drug discovery. However, the kinetics and regulation of drug transporters have not yet been assessed in 3D PHH. Here, we used organic cation transporter 1 (OCT1/SLC22A1) as a model to study both transport kinetics and the long-term regulation of transporter activity via relevant signalling pathways. The kinetics of the OCT1 transporter was studied using the fluorescent model substrate 4-(4-(dimethylamino)styryl)-N-methylpyridinium (ASP+) and known OCT1 inhibitors in individual 3D PHH. For long-term studies, 3D PHH were treated with xenobiotics for seven days, after which protein expression and OCT1 function were assessed. Global proteomic analysis was used to track hepatic phenotypes as well as prototypical changes in other regulated proteins, such as P-glycoprotein and Cytochrome P450 3A4. ASP+ kinetics indicated a fully functional OCT1 transporter with a Km value of 14 ± 4.0µM as the mean from three donors. Co-incubation with known OCT1 inhibitors decreased the uptake of ASP+ in the 3D PHH spheroids by 35–52%. The long-term exposure studies showed that OCT1 is relatively stable upon activation of nuclear receptor signalling or exposure to compounds that could induce inflammation, steatosis or liver injury. Our results demonstrate that 3D PHH spheroids express physiologically relevant levels of fully active OCT1 and that its transporter kinetics can be accurately studied in the 3D PHH configuration. We also confirm that OCT1 remains stable and functional during the activation of key metabolic pathways that alter the expression and function of other drug transporters and drug-metabolizing enzymes. These results will expand the range of studies that can be performed using 3D PHH.
Associations between vicarious racism and psychoactive substance use depend on strength of ethnic identity
Authors: Cruz-Vespa Isabela , Dembling Sarah J. , Han Benjamin H. , Inagaki Tristen K.
Published: July 2024

Racism is a pervasive threat to health with differential impact based on race and ethnicity. Considering the continued perpetration and visibility of racism online and in the news, vicarious racism, or “secondhand” racism when hearing about or witnessing racism being committed against members of one’s ethnic or racial group, is a particularly urgent threat in the context of such disparities and their subsequent health consequences. The current study examines if frequency of exposure to vicarious racism and the emotional impact of those experiences are linked to psychoactive substance use, and explores the role of ethnic identity in moderating these relationships. In a cross-sectional survey, 504 adult participants aged 18–78 (M age = 30.15, SD = 11.52, 52.6% female) identifying as Black/African American or Latine reported on their experiences with vicarious racism and alcohol, marijuana, and tobacco use over the past 30 days. Logistic regression was utilized to test hypotheses. Primary findings indicate that greater emotional impact of vicarious racism was associated with a 50% increase in odds of alcohol consumption and that ethnic identity moderated the association between vicarious racism and marijuana use. Greater emotional impact of vicarious racism was related to more marijuana use for those lower on ethnic identity, whereas there was no association for those higher on ethnic identity. Vicarious racism was not related to tobacco use. Results suggest that ethnic identity might be protective in the association of vicarious racism on substance use. Further research on this topic is needed as vicarious racism becomes an increasingly common experience among marginalized populations.
Enhancement of lemongrass essential oil physicochemical properties and antibacterial activity by encapsulation in zein-caseinate nanocomposite
Authors: Alsakhawy Sara A. , Baghdadi Hoda H. , El-Shenawy Moustafa A. , El-Hosseiny Lobna S.
Published: July 2024

Essential oils (EOs) represent a pivotal source for developing potent antimicrobial drugs. However, EOs have seldom found their way to the pharmaceutical market due to their instability and low bioavailability. Nanoencapsulation is an auspicious strategy that may circumvent these limitations. In the current study, lemongrass essential oil (LGO) was encapsulated in zein-sodium caseinate nanoparticles (Z-NaCAS NPs). The fabricated nanocomposite was characterized using dynamic light scattering, Fourier-transform infrared spectroscopy, differential scanning calorimetry, and transmission electron microscopy. The antimicrobial activity of LGO loaded NPs was assessed in comparison to free LGO against Staphylococcus epidermidis, Enterococcus faecalis, Escherichia coli, and Klebsiella pneumoniae. Furthermore, their antibacterial mechanism was examined by alkaline phosphatase, lactate dehydrogenase, bacterial DNA and protein assays, and scanning electron microscopy. Results confirmed the successful encapsulation of LGO with particle size of 243 nm, zeta potential of – 32 mV, and encapsulation efficiency of 84.7%. Additionally, the encapsulated LGO showed an enhanced thermal stability and a sustained release pattern. Furthermore, LGO loaded NPs exhibited substantial antibacterial activity, with a significant 2 to 4 fold increase in cell wall permeability and intracellular enzymes leakage versus free LGO. Accordingly, nanoencapsulation in Z-NaCAS NPs improved LGO physicochemical and antimicrobial properties, expanding their scope of pharmaceutical applications.
Skin cancer classification based on an optimized convolutional neural network and multicriteria decision-making
Authors: Saleh Neven , Hassan Mohammed A. , Salaheldin Ahmed M.
Published: July 2024

Skin cancer is a type of cancer disease in which abnormal alterations in skin characteristics can be detected. It can be treated if it is detected early. Many artificial intelligence-based models have been developed for skin cancer detection and classification. Considering the development of numerous models according to various scenarios and selecting the optimum model was rarely considered in previous works. This study aimed to develop various models for skin cancer classification and select the optimum model. Convolutional neural networks (CNNs) in the form of AlexNet, Inception V3, MobileNet V2, and ResNet 50 were used for feature extraction. Feature reduction was carried out using two algorithms of the grey wolf optimizer (GWO) in addition to using the original features. Skin cancer images were classified into four classes based on six machine learning (ML) classifiers. As a result, 51 models were developed with different combinations of CNN algorithms, without GWO algorithms, with two GWO algorithms, and with six ML classifiers. To select the optimum model with the best results, the multicriteria decision-making approach was utilized to rank the alternatives by perimeter similarity (RAPS). Model training and testing were conducted using the International Skin Imaging Collaboration (ISIC) 2017 dataset. Based on nine evaluation metrics and according to the RAPS method, the AlexNet algorithm with a classical GWO yielded the optimum model, achieving a classification accuracy of 94.5%. This work presents the first study on benchmarking skin cancer classification with many models. Feature reduction not only reduces the time spent on training but also improves classification accuracy. The RAPS method has proven its robustness in the problem of selecting the best model for skin cancer classification.
Demonstration of extrinsic chirality in self-assembled asymmetric plasmonic metasurfaces and nanohole arrays
Authors: Petronijevic Emilija , Cesca T. , Scian C. , Mattei G. , Voti R. Li , Sibilia C. , Belardini A.
Published: July 2024

Chirality, the lack of mirror symmetry, can be mimicked in nanophotonics and plasmonics by breaking the symmetry in light-nanostructure interaction. Here we report on versatile use of nanosphere lithography for the fabrication of low-cost metasurfaces, which exhibit broadband handedness- and angle-dependent extinction in the near-infrared range, thus offering extrinsic chiro-optical behavior. We measure wavelength and angle dependence of the extinction for four samples. Two samples are made of polystyrene nanospheres asymmetrically covered by silver and gold in one case and silver only in the other case, with a nanohole array at the bottom. The other two samples are nanohole arrays, obtained after the nanosphere removal from the first two samples. Rich extrinsic chiral features are governed by different chiro-optical mechanisms in the three-dimensional plasmonic semi-shells and planar nanohole arrays. We also measure Stokes parameters in the same wavelength and incidence angle range and show that the transmitted fields follow the extrinsic chirality features of the extinction dissymmetry. We further study the influences of the nanostructured shapes and in-plane orientations on the intrinsic vs extrinsic chirality. The nanoholes are modelled as oval shapes in metal, showing good agreement with the experiments. We thus confirm that nanosphere lithography can provide different geometries for chiral light manipulation at the nanoscale, with the possibility to extend functionalities with optimized oval shapes and combination of constituent metals.
Developing small Cas9 hybrids using molecular modeling
Authors: Mangin Antoine , Dion Vincent , Menzies Georgina
Published: July 2024

The contraction of CAG/CTG repeats is an attractive approach to correct the mutation that causes at least 15 neuromuscular and neurodegenerative diseases, including Huntington’s disease and Myotonic Dystrophy type 1. Contractions can be achieved in vivo using the Cas9 D10A nickase from Streptococcus pyogenes (SpCas9) using a single guide RNA (sgRNA) against the repeat tract. One hurdle on the path to the clinic is that SpCas9 is too large to be packaged together with its sgRNA into a single adeno-associated virus. Here we aimed to circumvent this problem using the smaller Cas9 orthologue, SlugCas9, and the Cas9 ancestor OgeuIscB. We found them to be ineffective in inducing contractions, despite their advertised PAM sequences being compatible with CAG/CTG repeats. Thus, we further developed smaller Cas9 hybrids, made of the PAM interacting domain of S. pyogenes and the catalytic domains of the smaller Cas9 orthologues. We also designed the cognate sgRNA hybrids using molecular dynamic simulations and binding energy calculations. We found that the four Cas9/sgRNA hybrid pairs tested in human cells failed to edit their target sequences. We conclude that in silico approaches can identify functional changes caused by point mutations but are not sufficient for designing larger scale complexes of Cas9/sgRNA hybrids.
Blurred interface induced control of electrical transport properties in Josephson junctions
Authors: Qiu Junling , Sun Huihui , Han Chuanbing , Ding Xiaodong , Zhao Bo , Wang Shuya , Wang Lixin , Shan Zheng
Published: July 2024

The interfacial microstructures of Josephson junctions are vital for understanding the microscopic mechanism to improve the performance of superconducting qubits further. However, there remain significant concerns about well understanding the correlation between atomic structures and electrical behaviors. Here, we propose a new method to define the interface of the barrier in Josephson junctions, and investigate the factors that affect the electrical properties of junctions using material analysis techniques and first principles. We find that the aluminium–oxygen ratio of the interface contributes greatly to the electrical properties of junctions, which is consistent with the conclusions obtained by utilizing the generative adversarial network for data augmentation. When the aluminium–oxygen ratio of the interface is 0.67–1.1, the model exhibits a lower barrier height and better electrical properties of the junction. Moreover, when the thickness of the barrier is fixed, the impact of the aluminium–oxygen ratio becomes prominent. A detailed analysis of Josephson junctions using a microscopic model has led to identifying of process defects that can enhance the yield rate of chips. It has a great boost for determining the relationship between microstructures and macroscopic performances.
A retrospective cohort study on 3D printed temporary crowns
Authors: del Hougne Michael , Di Lorenzo Isabella , Höhne Christian , Schmitter Marc
Published: July 2024

In this retrospective cohort study the survival rate, clinical parameters, patient satisfaction with aesthetics and oral health-related quality of life of 3D printed temporary crowns were evaluated. Temporary crowns were 3D printed with a Form3B out of Permanent Crown Resin (Formlabs GmbH). Anonymized data for the restorations’ survival (in-situ) was evaluated retrospectively for 98 temporary crowns of 63 patients fabricated within 19 months. Among these restorations, further analysis was conducted for 42 temporary crowns of 24 patients regarding clinical parameters (modified USPHS criteria), patient satisfaction with aesthetics and impact on oral health-related quality of life (OHRQoL) (OHIP 14). Descriptive statistical analysis (significance level of α = 0.05) included a Kaplan–Meier curve for survival analysis, a Kolmogorov–Smirnov test for USPHS, aesthetics and OHIP data, followed by a Wilcoxon test for USPHS and OHIP data and Chi-squared test for aesthetics data. Cronbach’s alpha was calculated for OHIP data. The average observation period for survival analysis was 256 days. The survival rate was satisfactory at 98% and n = 2 catastrophic failures (i.e. fracture) occurred. Total OHIP scores, with good reliabilities, improved from 6.63 to 2.21 significantly (p = 0.005) and patient satisfaction with aesthetics (p < 0.001) as well. Clinical analysis with modified USPHS criteria revealed encouraging results.
Expert gaze as a usability indicator of medical AI decision support systems: a preliminary study
Authors: Castner Nora , Arsiwala-Scheppach Lubaina , Mertens Sarah , Krois Joachim , Thaqi Enkeleda , Kasneci Enkelejda , Wahl Siegfried , Schwendicke Falk
Published: July 2024

Given the current state of medical artificial intelligence (AI) and perceptions towards it, collaborative systems are becoming the preferred choice for clinical workflows. This work aims to address expert interaction with medical AI support systems to gain insight towards how these systems can be better designed with the user in mind. As eye tracking metrics have been shown to be robust indicators of usability, we employ them for evaluating the usability and user interaction with medical AI support systems. We use expert gaze to assess experts’ interaction with an AI software for caries detection in bitewing x-ray images. We compared standard viewing of bitewing images without AI support versus viewing where AI support could be freely toggled on and off. We found that experts turned the AI on for roughly 25% of the total inspection task, and generally turned it on halfway through the course of the inspection. Gaze behavior showed that when supported by AI, more attention was dedicated to user interface elements related to the AI support, with more frequent transitions from the image itself to these elements. When considering that expert visual strategy is already optimized for fast and effective image inspection, such interruptions in attention can lead to increased time needed for the overall assessment. Gaze analysis provided valuable insights into an AI’s usability for medical image inspection. Further analyses of these tools and how to delineate metrical measures of usability should be developed.
Two novel genomes of fireflies with different degrees of sexual dimorphism reveal insights into sex-biased gene expression and dosage compensation
Authors: Catalán Ana , Gygax Daniel , Rodríguez-Montes Leticia , Hinzke Tjorven , Hoff Katharina J. , Duchen Pablo
Published: July 2024

Sexual dimorphism arises because of divergent fitness optima between the sexes. Phenotypic divergence between sexes can range from mild to extreme. Fireflies, bioluminescent beetles, present various degrees of sexual dimorphism, with species showing very mild sexual dimorphism to species presenting female-specific neoteny, posing a unique framework to investigate the evolution of sexually dimorphic traits across species. In this work, we present novel assembled genomes of two firefly species, Lamprohiza splendidula and Luciola italica, species with different degrees of sexual dimorphism. We uncover high synteny conservation of the X-chromosome across ~ 180 Mya and find full X-chromosome dosage compensation in our two fireflies, hinting at common mechanism upregulating the single male X-chromosome. Different degrees of sex-biased expressed genes were found across two body parts showing different proportions of expression conservation between species. Interestingly, we do not find X-chromosome enrichment of sex-biased genes, but retrieve autosomal enrichment of sex-biased genes. We further uncover higher nucleotide diversity in the intronic regions of sex-biased genes, hinting at a maintenance of heterozygosity through sexual selection. We identify different levels of sex-biased gene expression divergence including a set of genes showing conserved sex-biased gene expression between species. Divergent and conserved sex-biased genes are good candidates to test their role in the maintenance of sexually dimorphic traits.
Ubiquitin-derived artificial binding proteins targeting oncofetal fibronectin reveal scaffold plasticity by β-strand slippage
Authors: Katzschmann Anja , Haupts Ulrich , Reimann Anja , Settele Florian , Gloser-Bräunig Manja , Fiedler Erik , Parthier Christoph
Published: July 2024

Affilin proteins, artificial binding proteins based on the ubiquitin scaffold, have been generated by directed protein evolution to yield de-novo variants that bind the extra-domain B (EDB) of oncofetal fibronectin, an established marker of tumor neovasculature. The crystal structures of two EDB-specific Affilin variants reveal a striking structural plasticity of the ubiquitin scaffold, characterised by β-strand slippage, leading to different negative register shifts of the β5 strands. This process recruits amino acid residues from β5 towards the N-terminus to an adjacent loop region and subsequent residues into β5, respectively, remodeling the binding interface and leading to target specificity and affinity. Protein backbone alterations resulting from β-strand register shifts, as seen in the ubiquitin fold, can pose additional challenges to protein engineering as structural evidence of these events is still limited and they are difficult to predict. However, they can surface under the selection pressure of directed evolution and suggest that backbone plasticity allowing β-strand slippages can increase structural diversity, enhancing the evolutionary potential of a protein scaffold.
Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in β-phosphoglucomutase
Authors: Cruz-Navarrete F. Aaron , Baxter Nicola J. , Flinders Adam J. , Buzoianu Anamaria , Cliff Matthew J. , Baker Patrick J. , Waltho Jonathan P.
Published: July 2024

Metabolic regulation occurs through precise control of enzyme activity. Allomorphy is a post-translational fine control mechanism where the catalytic rate is governed by a conformational switch that shifts the enzyme population between forms with different activities. β-Phosphoglucomutase (βPGM) uses allomorphy in the catalysis of isomerisation of β-glucose 1-phosphate to glucose 6-phosphate via β-glucose 1,6-bisphosphate. Herein, we describe structural and biophysical approaches to reveal its allomorphic regulatory mechanism. Binding of the full allomorphic activator β-glucose 1,6-bisphosphate stimulates enzyme closure, progressing through NAC I and NAC III conformers. Prior to phosphoryl transfer, loops positioned on the cap and core domains are brought into close proximity, modulating the environment of a key proline residue. Hence accelerated isomerisation, likely via a twisted anti/C4-endo transition state, leads to the rapid predominance of active cis-P βPGM. In contrast, binding of the partial allomorphic activator fructose 1,6-bisphosphate arrests βPGM at a NAC I conformation and phosphoryl transfer to both cis-P βPGM and trans-P βPGM occurs slowly. Thus, allomorphy allows a rapid response to changes in food supply while not otherwise impacting substantially on levels of important metabolites.
Exploring cross-tissue DNA methylation patterns: blood–brain CpGs as potential neurodegenerative disease biomarkers
Authors: Mendonça Vanessa , Soares-Lima Sheila Coelho , Moreira Miguel Angelo Martins
Published: July 2024

The difficulty of obtaining samples from certain human tissues has led to efforts to find accessible sources to analyze molecular markers derived from DNA. In this study, we look for DNA methylation patterns in blood samples and its association with the brain methylation pattern in neurodegenerative disorders. Using data from methylation databases, we selected 18,293 CpGs presenting correlated methylation levels between blood and brain (bb-CpGs) and compare their methylation level between blood samples from patients with neurodegenerative diseases (Alzheimer’s disease, Parkinson’s disease, Multiple Sclerosis, and X Fragile Syndrome) and healthy controls. Sixty-four bb-CpGs presented significant distinct methylation levels in patients, being: nine for Alzheimer’s disease, nine for Parkinson’s disease, 28 for Multiple Sclerosis, and 18 for Fragile X Syndrome. Similar differences in methylation pattern for the nine Alzheimer’s bb-CpGs was also observed when comparing brain tissue from patients vs. controls. The genomic regions of some of these 64 bb-CpGs are placed close to or inside genes previously associated with the respective condition. Our findings support the rationale of using blood DNA as a surrogate of brain tissue to analyze changes in CpG methylation level in patients with neurodegenerative diseases, opening the possibility for characterizing new biomarkers.
Determination of yttrium in phosphorus powder from fluorescent lamps by microwave-induced optical emission spectrometry (MIP OES) after ultrasound-assisted extraction
Authors: Machado Glaucia Gisele M. , Silva Graziela S. , Rocha Pamela S. M. , Araújo André S. , de Castro Eduardo da S. G. , Cassella Ricardo J.
Published: July 2024

A novel analytical method is proposed for yttrium determination by microwave-induced optical emission spectrometry (MIP-OES).
Supramolecular chemical biology: designed receptors and dynamic chemical systems
Authors: Alfonso Ignacio
Published: July 2024

Supramolecular approaches to face chemical biology problems targeting different types of species are illustrated with selected representative examples, using conventional receptor design or dynamic covalent chemistry.
Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions
Authors: Almuhana Asia R. Y. , Griffin Sarah L. , Champness Neil R.
Published: July 2024

Charge assisted amidinium⋯phosphonate hydrogen-bonded organic frameworks (HOFs) are reported displaying a complex array of intermolecular interactions.
Corrosion inhibition ability of l-tryptophan and 5-hydroxy-l-tryptophan for mild steel: a combination of experimental and theoretical methods
Authors: Quy Huong Dinh , Le My Linh Nguyen , Quoc Thang Le , Quang Duong Tuan
Published: July 2024

The introduction of an OH group in an inhibitor molecule improves the corrosion inhibition efficiency.
The critical role of the active [GaH]2+ site in n-heptane dehydrocyclization over Ga/H-ZSM-5 zeolite
Authors: He Guangyuan , Mei Donghai
Published: July 2024

The Ga/H-ZSM-5 zeolite has long been acknowledged as an effective catalyst for the aromatization of light alkanes.
Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly
Authors: Dong Wen-Shuai , Mei Hao-Zheng , Yu Qi-Yao , Xu Mei-Qi , Li Zong-You , Zhang Jian-Guo
Published: July 2024

The multi-functional molecular self-assembly realizes the structural adjustment and performance regulation of energetic complexes.
Exploring the heteroanionic 2D materials RhSeCl and RhTeCl as promising semiconductor materials
Authors: Nowak Domenic , Käppler Erik , Knupfer Martin , Subakti Subakti , Lubk Axel , Efremov Dmitriy , Rubrecht Bastian , Popov Alexey , Koitzsch Andreas , Steiner Udo , Büchner Bernd , Valldor Martin , Gräßler Nico , Hampel Silke
Published: July 2024

Heteroanionic materials show potential as 2D semiconductors due to their tunable band gaps, making them excellent candidates for photocatalytic water splitting applications.
Mg2−xCaxAl layered double hydroxide-derived mixed metal oxide porous hexagonal nanoplatelets for CO2 sorption
Authors: Bhojaraj  , Nethravathi C. , Rajamathi Michael
Published: July 2024

Porous hexagonal nanoplatelets of mixed metal oxides derived from MgAl-LDH and its Ca-modified analogues show high CO2 sorption capacities - the former at low temperatures and the latter at SEWGS reaction temperatures.
Intercluster B–H and B–B aggregation in iso- and trans-[B20H18]2−. Spherical aromaticity in borane dimers
Authors: Rodríguez-Kessler Peter L. , Muñoz-Castro Alvaro
Published: July 2024

Understanding of the formation of molecular-based functional materials is a key step towards the development of technologies at the nanoscale.
A hydroxychloroquine platinum(iv) conjugate displaying potent antimetastatic activities by suppressing autophagy to improve the tumor microenvironment
Authors: Li Linming , Chen Yan , Zhang Ming , Li Suying , Feng Shuaiqi , He Yan-Qin , Zhang Ning , Liu Zhifang , Liu Meifeng , Wang Qingpeng
Published: July 2024

A hydroxychloroquine platinum(iv) complex targeting autophagy was developed as an antitumor agent with promising antiproliferative and antimetastatic activities.
Catalytic activity of HKUST-1 for the synthesis of fused N-heterocycles under microwave irradiation and studies of their in vitro anti-bacterial and anti-tubercular activities
Authors: Goswami Munmee , Paul Pooja , Nongkhlaw Ridahunlang , Kumari Jyothi , Sriram Dharmarajan , Nongkhlaw Rishanlang
Published: July 2024

The synthesis of fused N-heterocycles under microwave irradiation using HKUST-1 and evaluation of their in vitro biological activities.
Vinyl radicals in transition metal-catalyzed organic transformations
Authors: Li Mu-Han , Shu Xiao-Rong , Lu Yue-Jiao , Tian Wen-Chan , He Yu , Li Qiang , Wang Zheng-Jun , Ge Guo-Ping , Wei Wen-Ting
Published: July 2024

We summarize the advancements in transition metal-catalyzed organic transformations involving vinyl radicals and provide a categorical overview based on the reaction types.
Computational insights into aqueous speciation of metal-oxide nanoclusters: an in-depth study of the Keggin phosphomolybdate
Authors: Buils Jordi , Garay-Ruiz Diego , Segado-Centellas Mireia , Petrus Enric , Bo Carles
Published: July 2024

Herein, we present a new computational methodology that unlocks the prediction of the complex multi-species multi-equilibria processes involved in the formation of complex metal-oxo nanoclusters.
Realizing altermagnetism in two-dimensional metal–organic framework semiconductors with electric-field-controlled anisotropic spin current
Authors: Che Yixuan , Lv Haifeng , Wu Xiaojun , Yang Jinlong
Published: July 2024

Ground state altermagnetism in two-dimensional metal–organic framework semiconductors M(pyz)2 (M = Ca and Sr, pyz = pyrazine) protected by 24/1m1m2m spin point group, together with topological properties and in-plane anisotropic spin current.
Directed assembly of small binary clusters of magnetizable ellipsoids
Authors: Harris David H. , Torres-Díaz Isaac
Published: July 2024

We report the effect of shape anisotropy and material properties on the directed assembly of binary suspensions composed of magnetizable ellipsoids.
Excellent phosphorus-doped porous carbon oxygen reduction reaction catalysts derived from natural wild Angelica dahurica
Authors: Mo Wenhao , Tan Xiaohua , Zhao Lei
Published: July 2024

WAD directly carbonized at 900 °C has a half-wave potential of 0.822 V relative to a reversible hydrogen electrode, a limiting current density of 4.54 mA cm−2 at 1600 rpm, an average number of transferred electrons of four, and a stability of 95.9% for 20 000 s, larger than the 82.6% of Pt/C.
Maximizing active site utilization in carbocatalysts for high-performance oxygen reduction reactions and zinc–air battery-powered capacitive deionization
Authors: Mou Xiaofeng , Zhang Jiale , Zhao Bin , Dong Yanli , Liu Huimin , Liang Jiaxu , Xin Xiaoyu , Asakura Yusuke , Zhang Shuaihua , Xiao Zhichang , Yamauchi Yusuke
Published: July 2024

A structure-property relationship is disclosed between electrochemical surface area and active site utilization in ORR. The optimized NPC–Zn exhibits excellent zinc–air battery performance, serving as a power to drive capacitive deionization devices.
Self-shuttle-mediated electron transfer to boost photocatalytic hydrogen production of Co–Zn bimetallic MOF
Authors: Saothayanun Taya Ko , Inchongkol Yollada , Weeranoppanant Nopphon , Kondo Mio , Ogawa Makoto , Bureekaew Sareeya
Published: July 2024

A solid-solution Co–Zn bimetallic MOF with exceptional stability against water and light was developed as an active photocatalyst for efficient hydrogen production from water.
Design and synthesis of a TICT-based red-emissive fluorescent probe for the rapid and selective detection of HSA in human biofluids and live cell imaging
Authors: Moni Dolan , Sasmal Mihir , Katarkar Atul , Basu Anamika , Ali Mahammad
Published: July 2024

A D⋯π⋯A-based probe, DHMQ, is nonfluorescent in ∼100% PBS due to its TICT behaviour, while it becomes highly fluorescent in the presence of HSA, owing to restriction of its intramolecular free rotation inside the hydrophobic cavity of HSA.
Climate crisis as a business opportunity: Using degrowth to defamiliarize place branding for sustainability
Authors: Sullivan Katie R. , Bertilsson Jon , Rennstam Jens
Published: July 2024

Place branders express a desire for their work to aid in addressing crises such as climate change through sustainable developments that assist with brand positioning, yet little is known about how place branding professionals manage tensions and contradictions that arise between sustainability and investment development. This paper qualitatively explores how place branders talk about ecological sustainability at a place branding conference. We pose the research question, how do place branders communicatively construct the meaning of place branding for sustainability? Our key finding is that place branders reframe ecological crises as an “exclusive” business and brand-building opportunity. Rather than viewing this as “business as usual,” we use defamiliarization as a method of disrupting common sense and presenting the familiar as “strange,” and we employ degrowth ideas as a tool for doing so. We show how place branding for sustainability is constructed as a matter of making a place attractive to businesses that can generate green growth, and how this is done by suppressing aspects that challenge this view. In doing this, we provide a deeper insight into how certain, pro-growth-oriented sustainability practices are communicatively maintained, and into the struggles branders face when tasked with place branding for sustainability.
Emotional contagion on social media and the simulation of intervention strategies after a disaster event: a modeling study
Authors: Chu Meijie , Song Wentao , Zhao Zeyu , Chen Tianmu , Chiang Yi-chen
Published: July 2024

With the advent of climate change and the 5 G era, online communities are increasingly becoming the main medium for information dissemination after emergencies such as natural disasters. The widespread dissemination of negative online information may generate cyber violence or lead to serious adverse psychological outcomes. This study considered a natural disaster event involving avoidable deaths and child casualties as an example to identify emotional contagion and conduct simulation interventions. Data about the aftermath of the 8·13 flash flood in the Longcaogou Scenic Area, Sichuan Province, China, were derived from the Chinese Sina microblog. We analyzed key parameters and modeled them in a dynamic model. We further evaluated the effects of implementing intervention measures (such as transmission path interruption and changing the number of different emotions) on emotional spread. The overall sentiment of posters after this flood was negative, with three epidemic peaks. Negative emotions were more persistent and contagious than positive emotions. Reducing the number of negative blog posts by half could have led to a 14.97% reduction in negative comments and a 7.17% reduction in positive comments. Simultaneously, reducing the number of negative blog posts and increasing the number of positive posts would have helped reduce the relative ratio of negative to positive comments. The findings have theoretical and practical implications for developing an emotional contagion model and formulating intervention strategies to guide public opinion after an emergency that involves extensive online debate.
The great recession, neurotic personality, and subjective sleep quality among patients with mood disorders
Authors: Chen I-Ming , Chen Hsi-Chung , Liu Chih-Min , Liao Shih-Cheng , Hsieh Ming-Hsien , Wang Tsung-Yang , Chan Jen-Hui , Kuo Po-Hsiu
Published: July 2024

Previous studies exploring the effects of the business cycle on sleep have mostly focused on the general population, and their results have been inconclusive. This study aimed to explore the effects of the 2008 economic crisis and personality traits on the subjective sleep quality of outpatients with mood disorders. In this cross-sectional study, patients with mood disorders were recruited from two medical centers and a psychiatric hospital. Socio-demographics, the Eysenck Personality Questionnaire-Revised, and the Pittsburgh Sleep Quality Index (PSQI) were collected through in-person interviews. Candidate predictors significantly associated with PSQI scores in univariate analysis were included in a multiple linear regression model. There were 334 participants; 29% had unipolar depression, and 71% had bipolar affective disorder. The average PSQI score was 11.0 (±4.0). A higher degree of neuroticism [β(se) = 0.49 (0.07), p < 0.001] and recession period (vs. recovery period) [β(se) = 1.72 (0.47), p < 0.001] were associated with a higher PSQI score after adjusting for education, occupational class, and diagnosis. In conclusion, neuroticism and macroeconomy were independent predictors of subjective sleep quality in patients with mood disorders. This study suggests that large-scale economic crises have negative impacts on the sleep health of high-risk clinical populations.
The GECAM Real-time Burst Alert System
Authors: Huang Yue , Shi Dongli , Zhang Xiaolu , Ma Xiang , Zhang Peng , Zheng Shijie , Song Liming , Zhao Xiaoyun , Chen Wei , Qiao Rui , Song Xinying , Wang Jin , Cai Ce , Xiao Shuo , Zhang Yanqiu , Xiong Shaolin
Published: July 2024

Gravitational wave high-energy Electromagnetic Counterpart All-sky Monitor (GECAM), consisting of two micro-satellites, is designed to detect gamma-ray bursts associated with gravitational-wave events. Here, we introduce the real-time burst alert system of GECAM, with the adoption of the BeiDou-3 short message communication service. We present the post-trigger operations, the detailed ground-based analysis, and the performance of the system. In the first year of the in-flight operation, GECAM was triggered by 42 gamma-ray bursts. The GECAM real-time burst alert system has the ability to distribute the alert within ∼1 minute after being triggered, which enables timely follow-up observations.
The Design of GECAM Scientific Ground Segment
Authors: Zheng Shijie , Song Liming , Ma Xiang , Wang Ping , Qiao Rui , Huang Yue , Zhao Xiaoyun , Zhang Hongmei , Li Xiaobo , Ge Mingyu , Chen Gang , Sun Gongxing , Peng Wenxi , Cai Ce , Chen Wei , Du Yanqi , Guo Dongya , Li Bing , Li Chaoyang , Li Jianhui , Li Qingxin , Liang Jing , Liu Jiacong , Ou Ge , Shi Dongli , Shi Jingyan , Song Xinying , Wang Jin , Wang Wenshuai , Wu Hong , Xiao Shuo , Xue Wangchen , Yao Min , Ye Jianying , Zhang Kai , Zhang Peng , Zhang Xiaolu , Zhang Yanqiu , Zhao Guoying , Zhao Shiyi , Zheng Chao , Xiong Shaolin
Published: July 2024

The Gravitational wave burst high-energy Electromagnetic Counterpart All-sky Monitor (GECAM) is a dedicated mission for monitoring high-energy transients. Here we report the design of the GECAM Scientific Ground Segment (GSGS) in terms of the scientific requirements, including the architecture, the external interfaces, the main function, and workflow. Judging from the analysis and verification results during the commissioning phase, the GSGS functions well and is able to monitor the status of the payloads, adjust the parameters, develop the scientific observation plans, generate the scientific data products, analyze the data, etc. Thus, the on-orbit operation and scientific researches of GECAM are guaranteed.
A Localization Method of High Energy Transients for All-sky Gamma-ray Monitor
Authors: Zhao Yi , Xue Wangchen , Xiong Shaolin , Luo Qi , Wang Yuanhao , Liu Jiacong , Yu Heng , Zhao Xiaoyun , Huang Yue , Liao Jinyuan , Sun Jianchao , Li Xiaobo , Yi Qibin , Cai Ce , Xiao Shuo , Xie Shenglun , Zheng Chao , Zhang Yanqiu , Wang Chenwei , Tan Wenjun , Guo Zhiwei , Li Chaoyang , An Zhenghua , Chen Gang , Du Yanqi , Gao Min , Gong Ke , Guo Dongya , He Jiang , He Jianjian , Li Bing , Li Gang , Li Xinqiao , Liang Jing , Liang Xiaohua , Liu Yaqing , Ma Xiang , Qiao Rui , Song Liming , Song Xinying , Sun Xilei , Wang Jin , Wang Ping , Wen Xiangyang , Wu Hong , Xu Yanbing , Yang Sheng , Zhang Dali , Zhang Fan , Zhang Hongmei , Zhang Peng , Zhang Shu , Zhang Zhen , Zheng Shijie , Zhang Keke , Han Xingbo , Wu Haiyan , Tai Hu , Geng Hao , Lu Gaopeng , Xu Wei , Lyu Fanchao , Zhang Hongbo , Lu Fangjun , Zhang Shuangnan
Published: July 2024

Fast and reliable localization of high-energy transients is crucial for characterizing the burst properties and guiding the follow-up observations. Localization based on the relative counts of different detectors has been widely used for all-sky gamma-ray monitors. There are two major methods for this count distribution localization: χ
2 minimization method and the Bayesian method. Here we propose a modified Bayesian method that could take advantage of both the accuracy of the Bayesian method and the simplicity of the χ
2 method. With comprehensive simulations, we find that our Bayesian method with Poisson likelihood is generally more applicable for various bursts than the χ
2 method, especially for weak bursts. We further proposed a location-spectrum iteration approach based on the Bayesian inference, which could alleviate the problems caused by the spectral difference between the burst and location templates. Our method is very suitable for scenarios with limited computation resources or time-sensitive applications, such as in-flight localization software, and low-latency localization for rapidly follow-up observations.