bluuebunny/crossref_metadata_2025 huggingface dataset:
Understanding the mechanism of environmental, social, and governance impact on enterprise performance in the context of sustainable development
Authors: Shi Xiao Kun , Zhang Quan Meng
Published: August 2023

In transitional economies characterized by digital finance and uncertainty, the environmental, social, and governance (ESG) impact on enterprise performance has become a core issue in the sustainable development of enterprises. The existing literature does not pay attention to the simultaneous existence of digital finance and economic policy uncertainty in transition countries such as China. This paper introduces ESG as intangible capital into the Cobb–Douglas production function, considers the impact of digital finance and economic policy uncertainty, establishes a theoretical analysis framework, and empirically tests the impact of ESG on enterprise performance using panel data of 1688 listed companies in China from 2011 to 2020. The results reveal that ESG promotes enterprise performance; digital finance strengthens the positive impact of ESG on enterprise performance, and increased economic policy uncertainty strengthens the positive moderating effect of digital finance. Heterogeneity analysis reveals that the impact of ESG on enterprise performance and the moderating effect of digital finance are significant in both the eastern region and the central and western regions, but the former performs better when economic policy uncertainty increases. The research conclusion provides a policy reference for selecting appropriate digital finance policies to promote the sustainable development of enterprises with ESG as the core.
Detection of fish sedimentary DNA in aquatic systems: A review of methodological challenges and future opportunities
Authors: Huston Grayson P. , Lopez Mark Louie D. , Cheng Yuanyu , King Leighton , Duxbury Lucinda C. , Picard Maïlys , Thomson‐Laing Georgia , Myler Erika , Helbing Caren C. , Kinnison Michael T. , Saros Jasmine E. , Gregory‐Eaves Irene , Monchamp Marie‐Eve , Wood Susanna A. , Armbrecht Linda , Ficetola Gentile Francesco , Kurte Lenka , Von Eggers Jordan , Brahney Janice , Parent Genevieve , Sakata Masayuki K. , Doi Hideyuki , Capo Eric
Published: August 2023

Environmental DNA studies have proliferated over the last decade, with promising data describing the diversity of organisms inhabiting aquatic and terrestrial ecosystems. The recovery of DNA present in the sediment of aquatic systems (sedDNA) has provided short‐ and long‐term data on a wide range of biological groups (e.g., photosynthetic organisms, zooplankton species) and has advanced our understanding of how environmental changes have affected aquatic communities. However, substantial challenges remain for recovering the genetic material of macro‐organisms (e.g., fish) from sediments, preventing complete reconstructions of past aquatic ecosystems, and limiting our understanding of historic, higher trophic level interactions. In this review, we outline the biotic and abiotic factors affecting the production, persistence, and transport of fish DNA from the water column to the sediments, and address questions regarding the preservation of fish DNA in sediment. We identify sources of uncertainties around the recovery of fish sedDNA arising during the sedDNA workflow. This includes methodological issues related to experimental design, DNA extraction procedures, and the selected molecular method (quantitative PCR, digital PCR, metabarcoding, metagenomics). By evaluating previous efforts (published and unpublished works) to recover fish sedDNA signals, we provide suggestions for future research and propose troubleshooting workflows for the effective detection and quantification of fish sedDNA. With further research, the use of sedDNA has the potential to be a powerful tool for inferring fish presence over time and reconstructing their population and community dynamics.
Enhancing brain tumor classification with transfer learning: Leveraging DenseNet121 for accurate and efficient detection
Authors: Raza Asif , Alshehri Mohammed S. , Almakdi Sultan , Siddique Ali Akbar , Alsulami Mohammad , Alhaisoni Majed
Published: August 2023

Brain tumors pose a serious neurological threat to human life, necessitating improved detection and classification methods. Deep transfer learning (TL), in particular in key tumor categories such as meningioma, pituitary, glioma, and instances without tumors, has shown to be a new and successful method for tumor identification and classification. In this work, the efficacy of two pre‐trained TL methods—Inceptionv3 and DenseNet121—was examined for correctly classifying certain kinds of brain tumors. The experimental findings show that the DenseNet‐121 model, using the TL approach, performed better than other models in terms of accuracy for the identification and classification of brain tumors. The classification test results were impressive, with DenseNet‐121 reaching an astounding 99.95% accuracy and precision, recall, and F1‐measure scores of 97.7%, 92.1%, and 94.8%, respectively. DenseNet‐121 demonstrated 100% and 92.42% training and validation accuracies, respectively, highlighting its potential as an effective and precise diagnosis tool for brain malignancies.
Toward a correct treatment of core properties with local hybrid functionals
Authors: Haasler Matthias , Maier Toni M. , Kaupp Martin
Published: August 2023

In local hybrid functionals (LHs), a local mixing function (LMF) determines the position‐dependent exact‐exchange admixture. We report new LHs that focus on an improvement of the LMF in the core region while retaining or partly improving upon the high accuracy in the valence region exhibited by the LH20t functional. The suggested new pt‐LMFs are based on a Padé form and modify the previously used ratio between von Weizsäcker and Kohn–Sham local kinetic energies by different powers of the density to enable flexibly improved approximations to the correct high‐density and iso‐orbital limits relevant for the innermost core region. Using TDDFT calculations for a set of K‐shell core excitations of second‐ and third‐period systems including accurate state‐of‐the‐art relativistic orbital corrections, the core part of the LMF is optimized, while the valence part is optimized as previously reported for test sets of atomization energies and reaction barriers (Haasler et al., J Chem Theory Comput 2020, 16, 5645). The LHs are completed by a calibration function that minimizes spurious nondynamical correlation effects caused by the gauge ambiguities of exchange‐energy densities, as well as by B95c meta‐GGA correlation. The resulting LH23pt functional relates to the previous LH20t functional but specifically improves upon the core region.
Interactive response and spatial heterogeneity of alpine grassland biodiversity to soil, topography, climate, and human factors on the Qinghai‐Tibet Plateau
Authors: Sun Yongxiu , Liu Shiliang , Liu Chao , Sun Jian , Liu Yixuan , Wang Fangfang
Published: August 2023

The alpine grassland ecosystem is a critical part of the Qinghai‐Tibet Plateau (QTP), mainly including alpine meadows and alpine steppes. However, the influence factors of alpine grassland biodiversity are not clear for different alpine grassland types. In this study, pathway analysis was applied to explore the influences of soil, topography, climate, and human factors on alpine grassland biodiversity. Then, by using the geographically weighted regression (GWR) model, the spatial sensitivity response of alpine grassland biodiversity to soil, topography, climate, and human activities was revealed in different grassland types. The results were as follows: (1) The data and pathway analysis passed the validity and reliability analysis, indicating that the model fit of alpine grassland biodiversity was good for different grassland types. (2) For alpine meadows, the total effect coefficients of altitude, slope, and topographic wetness index (TWI) on normalized difference vegetation index (NDVI) (net primary productivity [NPP]) were 0.50, 0.21, and −0.48 (0.59, 0.17, and −0.41), respectively, suggesting that altitude had the strongest and positive effect on alpine meadow diversity. In addition, among human activity and climate variables, human activity intensity and precipitation exhibited significant effects on NDVI (NPP), with total effect coefficients of −0.17 and 0.61 (−0.19 and 0.63). The influence of soil, topography, climate, and human variables on alpine steppe diversity showed similarities with alpine meadow diversity. (3) Alpine grassland biodiversity was directly and indirectly influenced by multiple driving factors for different grassland types. The total coefficients of soil, topography, climate, and human factors on NDVI (NPP) were 0.41, 0.38, −0.21, and 0.71 (0.32, 0.50, −0.21, and 0.91), respectively, which indicated that alpine meadow diversity was mainly regulated by climate on the QTP, consistent with alpine steppe diversity. (4) For different grassland types, the spatial effects of various driving factors on alpine grassland biodiversity all showed significant spatial heterogeneity at the grid scale. Based on the knowledge about the driving mechanism and spatial response of alpine grassland biodiversity to its driving factors in different grassland types of the QTP, we aim to provide guidance for alpine grassland biodiversity conservation and rational ecosystem management.
Dependency of Arctic zooplankton on pelagic food sources: New insights from fatty acid and stable isotope analyses
Authors: Kohlbach Doreen , Lebreton Benoit , Guillou Gaёl , Wold Anette , Hop Haakon , Graeve Martin , Assmy Philipp
Published: August 2023

Global warming causes dramatic environmental change to Arctic ecosystems. While pelagic primary production is initiated earlier and its intensity can be increased due to earlier ice melt and extended open‐water periods, sea‐ice primary production is progressively confined on a spatio‐temporal scale, leading to unknown consequences for the ice‐associated (sympagic) food web. Understanding ecological responses to changes in the availability and composition of pelagic and sympagic food sources is crucial to determine potential changes of food‐web structure and functioning in Arctic marine communities under increasingly ice‐free conditions. Focus was placed on the importance of suspended particulate organic matter vs. sympagic organic matter for 12 zooplankton species with different feeding modes covering five taxonomic groups (copepods, krill, amphipods, chaetognaths, and appendicularians) at two ice‐covered, but environmentally different, stations in the north‐western Barents Sea in August 2019. Contributions of diatom‐ and flagellate‐associated fatty acids (FAs) to total lipid content and carbon stable isotopic compositions of these FAs were used to discriminate food sources and trace flows of organic matter in marine food webs. Combination of proportional contributions of FA markers with FA isotopic composition indicated that consumers mostly relied, directly (herbivorous species), or indirectly (omnivorous and carnivorous species), on pelagic diatoms and flagellates, independently of environmental conditions at the sampling locations, trophic position, and feeding mode. Differences were nevertheless observed between species. Contrary to other studies demonstrating a high importance of sympagic organic matter for food‐web processes, our results highlight the complexity and variability of trophic structures and dependencies in different Arctic food webs.
Infill Density Effects on the Mechanical and Thermal Properties of Copper‐Plated 3D Printed Parts
Authors: Ludergnani Tommaso , Fredi Giulia , Malagutti Lorenzo , Balbo Andrea , Dorigato Andrea , Mollica Francesco , Mazzanti Valentina
Published: August 2023

Fused Filament Fabrication (FFF) is a 3D‐printing technique that enables the production of complex geometries with a high level of customization at low cost. The poor mechanical properties of FFF‐printed parts often undermine the application of this technology for structural purposes. To overcome this limitation, a two‐step metallization method is performed to deposit a copper layer on the exterior of an Acrylonitrile–Butadiene–Styrene (ABS) substrate, using a non‐toxic and cost‐effective plating solution. Electroplating over the exposed grid infill, at various densities, is exploited to improve the load transfer between copper and ABS. The resulting samples are characterized mechanically and thermally, and finite element modeling simulations are used to better understand the characterization results. It is found that an infill of 50–60% provides the best compromise between mechanical performance and thermal conductivity because the infill density is low enough to allow copper penetration into the material to create a strong mechanical interlocking with ABS, yet high enough to create multiple conductive bridges through the thickness of the sample. This study demonstrates the effectiveness of electroplating as a post‐processing technique to simultaneously enhance the mechanical and thermal properties of FFF‐printed parts and provides insights into the optimal design parameters for achieving this goal.
Exome sequencing findings in children with annular pancreas
Authors: Pitsava Georgia , Pankratz Nathan , Lane John , Yang Wei , Rigler Shannon , Shaw Gary M. , Mills James L.
Published: August 2023

Background

Annular pancreas (AP) is a congenital defect of unknown cause in which the pancreas encircles the duodenum. Theories include abnormal migration and rotation of the ventral bud, persistence of ectopic pancreatic tissue, and inappropriate fusion of the ventral and dorsal buds before rotation. The few reported familial cases suggest a genetic contribution.

Methods

We conducted exome sequencing in 115 affected infants from the California birth defects registry.

Results

Seven cases had a single heterozygous missense variant in IQGAP1, five of them with CADD scores >20; seven other infants had a single heterozygous missense variant in NRCAM, five of them with CADD scores >20. We also looked at genes previously associated with AP and found two rare heterozygous missense variants, one each in PDX1 and FOXF1.

Conclusion

IQGAP1 and NRCAM are crucial in cell polarization and migration. Mutations result in decreased motility which could possibly cause the ventral bud to not migrate normally. To our knowledge, this is the first study reporting a possible association for IQGAP1 and NRCAM with AP. Our findings of rare genetic variants involved in cell migration in 15% of our population raise the possibility that AP may be related to abnormal cell migration.
Progression before local control in osteosarcoma: Outcome and prognosis‐predictive factors
Authors: Halalsheh Hadeel , Amer Shrouq , Sultan Iyad
Published: August 2023

Background

The prognosis and impact of early disease progression in patients with osteosarcoma prior to local control (LC), and the potential therapeutic benefits of ifosfamide/etoposide (IE) remain underexplored in the medical literature.

Methods

A retrospective study was conducted on pediatric patients (≤18 years) with osteosarcoma who presented to King Hussein Cancer Center between June 2006 and March 2022. We studied patients with disease progression before LC.

Results

Among 195 patients, 31 (17males) exhibited disease progression before LC. The median age at diagnosis was 14.1 years, and patients were followed for a median of 23.1 months (range: 5.8–94.7). The majority of tumors were located in the extremities (n = 28). Ten patients (48%) had lung‐only metastasis. Twenty‐five patients showed progression at the local site only, and six showed progression both at local/metastatic sites. For the 25 patients with local‐site‐only progression, the decision for 24 was immediate LC via LSS (n = 9), amputation (n = 10), hemimandibulectomy (n = 1), and radiation therapy (n = 1). Three families refused amputation. Among the six patients with combined local/metastatic site progression, the decision was for two to intensify chemotherapy by adding IE, while the other four were recommended immediate LC. However, two of them refused surgery. In total, five patients received IE as intensification for progression, all of whom subsequently progressed. The 5‐year event‐free survival and overall survival were 27.2% and 31.3%, respectively.

Conclusion

Our findings suggest that early disease progression before LC in patients with osteosarcoma is associated with poor prognosis. However, patients initially diagnosed with localized disease and who later exhibited local‐disease‐only progression appeared to have better outcomes. The potential role of IE in the treatment of patients exhibiting early progression merits further investigation in a larger study cohort.
Ti3C2Tx MXene modification using silicane or quaternary ammonium salt via covalent bonding or interaction for high‐performance composites
Authors: Cheng Guojun , Xuan Ziyue , Tian Shen , Tang Zhongfeng , Ding Guoxin , Wan Xianglong
Published: August 2023

Ti3C2Tx MXene were modified by 3‐methacryloxypropyltrimethoxy silane (MPTS) and melamine quaternary ammonium salt (MG). The modification mechanism of MPTS and MG with Ti3C2Tx and the regulation of their surface and interfacial properties were confirmed through a series of tests. Ti3C2Tx@MPTS obtained by hydrolysis and hydroxyl co‐polycondensation had a hydrophobic surface and exhibits good dispersion stability. Ti3C2Tx@MG had a strong hydrophilic surface under the dual action of hydrogen bonding and electrostatic assembly, resulting in its surface charge changed from negative to positive. Furthermore, the morphologies of Ti3C2Tx@MPTS and Ti3C2Tx@MG were quite different. Compared with Ti3C2Tx MXene, Ti3C2Tx@MPTS still presents a multi‐layer structure, while Ti3C2Tx@MG shows a stripped‐off layer/single‐layer/partially collapse pattern. This is due to the fact that MPTS mainly modifies Ti3C2Tx MXene by coating, while MG is based on intercalation effect. The two modifiers modify Ti3C2Tx MXene with different effects, endow Ti3C2Tx MXene with different surface and interfacial properties, and then stabilize in the polymer matrix, supercapacitors and electrode materials in different ways.

Highlights

The hydrophilic and hydrophobic Ti3C2Tx is realized by MG and MPTS.

Layered morphology of Ti3C2Tx was changed with the introduction of MPTS and MG.

The electronegativity of Ti3C2Tx was changed by the introduction of MPTS and MG.
Designing of molecularly imprinted polymer with carboxylic acid functionality for chiral separation of (±)‐3,4‐methylenedioxymethamphetamine
Authors: Alharbi Hussam Y. , Aljohani Majed S. , Monier Mohammed
Published: August 2023

In this work, we discuss the development of a long‐lasting enantioselective material for the effective enantio‐recognition of S‐3,4‐methylenedioxymethamphetamine (S‐MDMA) and chiral separation of the (±)‐MDMA racemate using a crosslinked poly(acrylic acid‐4‐vinylpyridine) copolymer. The first step was the synthesis and characterization of an acryloyl‐S‐MDMA amide. After that, the free radical initiator azobisisobutyronitrile was used to copolymerize the synthesized chiral amide with 4‐vinylpyridine and divinylbenzene. The incorporated S‐MDMA species were extracted from the polymeric particles by heating them with sodium hydroxide, followed by rinsing with hydrochloric acid. This developed the molecularly imprinted S‐MDMA particles, which were visualized with a scanning electron microscope and Fourier transform infrared spectroscopy. The selectivity parameters indicated a higher affinity of the fabricated S‐MDMA imprinted particles toward S‐MDMA, around 10‐fold higher than that related to R‐MDMA. Results from Langmuir adsorption experiments at pH 6 demonstrated a maximal capacity of 142 mg g−1. In addition, the values of enantiomeric excess were found to be 94.5% and 79.4% for R‐ and S‐MDMA in the loading and eluant solutions, respectively, after optical separation was done using the column technique. © 2023 Society of Industrial Chemistry.
Development of 3‐D point cloud imaging and 2‐D image processing methods for high‐throughput phenotyping of perennial ryegrass spikes
Authors: Tubbs Travis B. , Chastain Thomas G.
Published: August 2023

Advances in technology have increased the adoption of high‐throughput phenotyping (HTP) methodologies, potentially replacing laborious and time‐consuming measurements and data recording. One promising HTP tool for fine‐featured and small‐sized characteristics is the three‐dimensional (3‐D) scanning and imaging system, but the utility of present two‐dimensional (2‐D) technology has not been fully explored for this purpose. The objective of this work was to reduce assessment and field evaluation time by developing 2‐D photogrammetric and 3‐D point cloud imaging methods for HTP of spike characteristics in perennial ryegrass (Lolium perenne L.), with special attention to traits that might be associated with seed retention. These HTP imaging systems were compared with direct data capture by hand on spikes of 21 diverse global accessions of perennial ryegrass. The Fiji (ImageJ) open‐source imaging software was used for photogrammetric analysis of spike structure, including spike length, spikelet number, internode length, and 2‐D curvature of the spike. An original approach to nondestructive HTP for crop characterization was developed using the commercially available Artec Space Spider. This 3‐D optical sensor was used to generate dense 3‐D point clouds to measure spike length, spikelet number, internode length, spikelet length, spikelet angle, and 3‐D curvature of the spike. Both methods were found to accurately characterize the subject; the 3‐D method was slower than 2‐D but was more precise (p ≤ 0.01) than 2‐D image analysis with a linear measurement deviation of only 0.17%. Fiji was effectively used for post‐processing image analysis, and the Space Spider can be used directly in the field to support HTP data collection. This non‐destructive field measurement system facilitates HTP in perennial ryegrass spikes and likely in other applications.
MEM‐FET: Essential protein prediction using membership feature and machine learning approach
Authors: Payra Anjan Kumar , Saha Banani , Ghosh Anupam
Published: August 2023

Proteins are played key roles in different functionalities in our daily life. All functional roles of a protein are a bit enhanced in interaction compared to individuals. Identification of essential proteins of an organism is a time consume and costly task during observation in the wet lab. The results of observation in wet lab always ensure high reliability and accuracy in the biological ground. Essential protein prediction using computational approaches is an alternative choice in research. It proves its significance rapidly in day‐to‐day life as well as reduces the experimental cost of wet lab effectively. Existing computational methods were implemented using Protein interaction networks (PPIN), Sequence, Gene Expression Dataset (GED), Gene Ontology (GO), Orthologous groups, and Subcellular localized datasets. Machine learning has diverse categories of features that enable to model and predict essential macromolecules of understudied organisms. A novel methodology MEM‐FET (membership feature) is predicted based on features, that is, edge clustering coefficient, Average clustering coefficient, subcellular localization, and Gene Ontology within a compartment of common neighbors. The accuracy (ACC) values of the predicted true positive (TP) essential proteins are 0.79, 0.74, 0.78, and 0.71 for YHQ, YMIPS, YDIP, and YMBD datasets. An enriched set of essential proteins are also predicted using the MEM‐FET algorithm. Ensemble ML also validated the proposed model with an accuracy of 60%. It has been predicted that MEM‐FET algorithms outperform other existing algorithms with an ACC value of 80% for the yeast dataset.
Revisiting the structure and dynamics of hydrated Cd2+ in aqueous solutions: Insights from the RI‐SCS‐MP2/MM molecular dynamics simulation
Authors: Prasetyo Niko , Kusuma Alberto Krishna Ksatria Winning , Iqbal La Ode Muhammad
Published: August 2023

The spin component scale MP2/molecular mechanics molecular dynamics simulation investigated the hydration shell formation and hydrated Cd2+ dynamics in the water environment. At the first hydration shell, six water molecules with 2.27 Å for the average distance between water and Cd2+. Dynamical properties were analyzed by computing the water molecule's mean residence time (MRT) in its first and second hydration shells. The MRT of each shell was determined to be 31.8 and 1.92 ps, suggesting the strong influence of Cd2+ in the first hydration shell. The second shell was labile, with an average number of water molecules being 18. Despite the strong interaction between Cd2+ and water molecules in the first shell, the influence of ions in the second hydration shell remained weak.
Examining the interplay of sustainable development, corporate governance, and stock Price crash risk: Insights from ESG practices
Authors: Chebbi Kaouther
Published: August 2023

Amidst the growing emphasis on sustainable development, there is an emerging trend of companies actively pursuing the transition towards sustainability. This shift is driven by various factors, including heightened societal scrutiny and a greater focus on environmental, social, and governance (ESG) considerations. As a result, companies are increasingly acknowledging the significance of incorporating sustainable practices into their operations to align with the expectations of the capital market. This paper investigates the association between ESG disclosures and stock price crash moderated by corporate governance (board size, independence, and gender diversity) for Saudi firms. Using a fixed effects regression method, we find that the coefficient of ESG is significant and negative (−0.0043 for NCSKEW and − 0.0006 for DUVOL) indicating a positive influence of ESG in diminishing stock price crash. The results also show that corporate governance positively and significantly moderate the ESG‐stock price crash risk. As additional analyses, we find a significant negative relationship between each aspect of ESG including social responsibility, environmental activities and governance practices and stock price crash risk. Moreover, the pandemic COVID‐19 has a dampening effect on the ESG‐stock price crash association. To ensure the validity of these conclusions, dynamic GMM models were employed to tackle any potential endogeneity issues, making the results even more robust. Our findings highlight that improving corporate sustainability positively impacts the stability of companies' stock prices. This study provides valuable insights and perspectives from the context of Saudi Arabia and offers theoretical and managerial implications that are relevant for policymakers and investors.
A latent functional approach for modeling the effects of multidimensional exposures on disease risk
Authors: Kim Sungduk , Beane Freeman Laura E. , Albert Paul S.
Published: August 2023

Understanding the relationships between exposure and disease incidence is an important problem in environmental epidemiology. Typically, a large number of these exposures are measured, and it is found either that a few exposures transmit risk or that each exposure transmits a small amount of risk, but, taken together, these may pose a substantial disease risk. Further, these exposure effects can be nonlinear. We develop a latent functional approach, which assumes that the individual effect of each exposure can be characterized as one of a series of unobserved functions, where the number of latent functions is less than or equal to the number of exposures. We propose Bayesian methodology to fit models with a large number of exposures and show that existing Bayesian group LASSO approaches are a special case of the proposed model. An efficient Markov chain Monte Carlo sampling algorithm is developed for carrying out Bayesian inference. The deviance information criterion is used to choose an appropriate number of nonlinear latent functions. We demonstrate the good properties of the approach using simulation studies. Further, we show that complex exposure relationships can be represented with only a few latent functional curves. The proposed methodology is illustrated with an analysis of the effect of cumulative pesticide exposure on cancer risk in a large cohort of farmers.
2D TiS2‐Nanosheet‐Coated Concave Gold Arrays with Triple‐Coupled Resonances as Sensitive SERS Substrates
Authors: Ge Yuancai , Yang Ying , Zhu Yajie , Yuan Meiling , Sun Liangbin , Jiang Danfeng , Liu Xiaohu , Zhang Qingwen , Zhang Jinyi , Wang Yi
Published: August 2023

Herein, a hybrid substrate for surface‐enhanced Raman scattering (SERS) is fabricated, which couples localized surface plasmon resonance (LSPR), charge transfer (CT) resonance, and molecular resonance. Exfoliated 2D TiS2 nanosheets with semimetallic properties accelerate the CT with the tested analytes, inducing a remarkable chemical mechanism enhancement. In addition, the LSPR effect is coupled with a concave gold array located underneath the thin TiS2 nanosheet, providing a strong electromagnetic enhancement. The concave gold array is prepared by etching silicone nanospheres assembled on larger polystyrene nanospheres, followed by depositing a gold layer. The LSPR intensity near the gold layer can be adjusted by changing the layer thickness to couple the molecular and CT resonances, in order to maximize the SERS enhancement. The best SERS performance is recorded on TiS2‐nanosheet‐coated plasmonic substrates, with a detectable methylene blue concentration down to 10−13 m and an enhancement factor of 2.1 × 109 and this concentration is several orders of magnitude lower than that of the TiS2 nanosheet (10−11 m) and plasmonic substrates (10−9 m). The present hybrid substrate with triple‐coupled resonance further shows significant advantages in the label‐free monitoring of curcumin (a widely applied drug for treating multiple cancers and inflammations) in serum and urine.
A Chiral Nanocomplex for Multitarget Therapy to Alleviate Neuropathology and Rescue Alzheimer's Cognitive Deficits
Authors: Tan Huarong , Huang Yuqi , Dong Shuqing , Bai Zetai , Chen Cheng , Wu Xiunan , Chao Minghao , Yan Hanrong , Wang Shaoshen , Geng Deqin , Gao Fenglei
Published: August 2023

Alzheimer's disease (AD) is a severe neurodegenerative condition characterized by inflammation, beta‐amyloid (Aβ) plaques, and neurodegeneration, which currently lack effective treatments. Chiral nanomaterials have emerged as a promising option for treating neurodegenerative disorders due to their high biocompatibility, strong sustained release ability, and specific enantiomer selectivity. The development of a stimulus‐responsive chiral nanomaterial, UiO‐66‐NH2@l‐MoS2 QDs@PA‐Ni (MSP‐U), for the treatment of AD is reported. MSP‐U is found to stimulate neural stem cell (NSCs) differentiation, promote in situ hydrogen (H2) production, and clear Aβ plaques. l‐MoS2 QDs modified with l‐Cysteine (l‐Cys) effectively enhance the differentiation of NSCs into neurons through circularly polarized near‐infrared radiation. Doped‐phytic acid nickel (PA‐Ni) improves the activity of l‐MoS2 QDs in scavenging reactive oxygen species at the lesion site via photocatalytic H2 production. Loading l‐MoS2 QDs with UiO‐66 type metal oxide suppresses electron–hole recombination effect, thereby achieving rapid charge separation and improving transport of photogenerated electrons, leading to significantly improved H2 production efficiency. The photothermal effect of MSP‐U also clears the generated Aβ plaques. In vivo evaluations show that MSP‐U improves spatial cognition and memory, suggesting a promising potential candidate for the treatment of AD using chiral nanomaterials.
Mechanoregulatory Cholesterol Oxidase‐Functionalized Nanoscale Metal–Organic Framework Stimulates Pyroptosis and Reinvigorates T Cells
Authors: Zhen Wenyao , Luo Taokun , Wang Zitong , Jiang Xiaomin , Yuan Eric , Weichselbaum Ralph R. , Lin Wenbin
Published: August 2023

Cancer cells alter mechanical tension in their cell membranes. New interventions to regulate cell membrane tension present a potential strategy for cancer therapy. Herein, the increase of cell membrane tension by cholesterol oxidase (COD) via cholesterol depletion in vitro and the design of a COD‐functionalized nanoscale metal–organic framework, Hf‐TBP/COD, for cholesterol depletion and mechanoregulation of tumors in vivo, are reported. COD is found to deplete cholesterol and disrupt the mechanical properties of lipid bilayers, leading to decreased cell proliferation, migration, and tolerance to oxidative stress. Hf‐TBP/COD increases mechanical tension of plasma membranes and osmotic fragility of cancer cells, which induces influx of calcium ions, inhibits cell migration, increases rupturing propensity for effective caspase‐1 mediated pyroptosis, and decreases tolerance to oxidative stress. In the tumor microenvironment, Hf‐TBP/COD downregulates multiple immunosuppressive checkpoints to reinvigorate T cells and enhance T cell infiltration. Compared to Hf‐TBP, Hf‐TBP/COD improves anti‐tumor immune response and tumor growth inhibition from 54.3% and 79.8% to 91.7% and 95% in a subcutaneous triple‐negative breast cancer model and a colon cancer model, respectively.
Extending the In Vivo Residence Time of Macrophage Membrane‐Coated Nanoparticles through Genetic Modification
Authors: Duan Yaou , Zhou Jiarong , Zhou Zhidong , Zhang Edward , Yu Yiyan , Krishnan Nishta , Silva‐Ayala Daniela , Fang Ronnie H. , Griffiths Anthony , Gao Weiwei , Zhang Liangfang
Published: August 2023

Nanoparticles coated with natural cell membranes have emerged as a promising class of biomimetic nanomedicine with significant clinical potential. Among them, macrophage membrane‐coated nanoparticles hold particular appeal due to their versatility in drug delivery and biological neutralization applications. This study employs a genetic engineering approach to enhance their in vivo residence times, aiming to further improve their performance. Specifically, macrophages are engineered to express proline‐alanine‐serine (PAS) peptide chains, which provide additional protection against opsonization and phagocytosis. The resulting modified nanoparticles demonstrate prolonged residence times when administered intravenously or introduced intratracheally, surpassing those coated with the wild‐type membrane. The longer residence times also contribute to enhanced nanoparticle efficacy in inhibiting inflammatory cytokines in mouse models of lipopolysaccharide‐induced lung injury and sublethal endotoxemia, respectively. This study underscores the effectiveness of genetic modification in extending the in vivo residence times of macrophage membrane‐coated nanoparticles. This approach can be readily extended to modify other cell membrane‐coated nanoparticles toward more favorable biomedical applications.
The Organic Ligand Etching Method for Constructing In Situ Terraced Protective Layer Toward Stable Aqueous Zn Anode
Authors: Li Li , Yang Hang , Yuan Zeyu , Tan Yicheng , Zhang Yiming , Miao Chenglin , Chen Duo , Li Guangshe , Han Wei
Published: August 2023

The stability of aqueous Zn‐ion batteries (AZIBs) is highly dependent on the reversibility of stripping/plating Zn anode. In this work, an organic ligand etching method is proposed to develop a series of in situ multifunctional protective layers on Zn anode. Particularly, the 0.02 m [Fe(CN) 6]3− etching solutions can spontaneously etch the Zn anode, creating an in situ protective layer with unique terraced structure, which blocks the direct contact between the electrode and electrolyte and increases the area for Zn2+ ions deposition. Interestingly, all elements in the organic ligands (i.e., C, N, Zn, and Fe) exhibit strong zincophilic, significantly promoting zinc deposition kinetics and enhancing 3D nucleation behavior to inhibit zinc dendrite growth. As a result, the etched Zn anode can provide as high a Coulombic efficiency of 99.6% over 1000 cycles and sustain over 400 h long‐term stability at a high current density of 10 mA cm−2. As general validation, the small amount of metal cations additives (e.g., Ni2+, Mn2+, and Cu2+) can accelerate the synthesis of artificial interface layers with 3D structures and also regulate zinc deposition behavior. This work provides a new idea from the perspective of etching solution selection for surface modification of Zn metal anode.
Capture‐SELEX for a short aptamer for label‐free detection of salicylic acid
Authors: Gu Lide , Zhang Hanxiao , Ding Yuzhe , Zhang Yao , Wang Deli , Liu Juewen
Published: August 2023

Salicylic acid (SA) is a hydrolysis product and an active form of aspirin, and SA is found in a range of fruits and other food products. For food and drug and analysis there is a strong desire to detect SA. Since SA is a very small molecule, aptamers have advantages over antibodies for its detection. In this work, we used the library‐immobilization capture‐SELEX method to isolate aptamers for SA. After 17 rounds of selection, two main families of aptamers were isolated. The SA1 aptamer from family 1 has a Kd of 5.8 μM from a thioflavin T (ThT) fluorescence assay and 26.7 μM from isothermal titration calorimetry. The binding of other sequences was weaker compared to SA1. Based on mutation studies, the two conserved regions of SA1 were connected by two stems. Using ThT as a stain, a label‐free fluorescent sensor was tested for the detection of SA with a detection limit of 2.2 μM. A few similar molecules were tested including aspirin, and only p‐hydroxybenzoic acid showed a weak binding, indicating the high specificity of the SA1 aptamer. Finally, the SA1 aptamer was also tested in tomato juice and a similar binding performance was achieved.
Planar NbnOm Clusters on the Au(111) Surface
Authors: Wang Shuqiu , Zhu Yuhan , Van den Bossche Maxime , Goniakowski Jacek , Noguera Claudine , Castell Martin R.
Published: August 2023

Planar oxide atomic clusters are of considerable scientific interest because of their potential for enhanced catalytic activity versus their three‐dimensional counterparts. This enhancement is the result of the substrate stabilizing novel planar configurations that have an extensive periphery where catalytic reactions can occur. A class of planar NbnOm atomic clusters that are synthesized by the evaporation of metallic Nb onto an Au(111) substrate in an ultrahigh vacuum environment and subsequent oxidation at elevated temperatures is reported. The atomic structures of the clusters are determined using a combination of scanning tunneling microscopy and density functional theory. The clusters are composed of structural units with four‐, five‐, and sixfold rotational symmetry and these units can assemble to form larger planar clusters. The theoretical comparison of supported structures with their hypothetical freestanding counterparts shows that the atomic and electronic structures of the oxide clusters are significantly altered by the interaction with the Au substrate. The substrate effects include interfacial charge transfer and structural relaxation to relieve the strain in the Nb‐O bonds. The substrate interactions also reduce the energy differences between clusters of different configurations and this enables the coexistence of a large variety of cluster configurations.
Electrochemical Biosensors Based on Enzyme Inhibition Effect
Authors: Arkhypova Valentyna , Soldatkin Oleksandr , Soldatkin Alexei , Dzyadevych Sergei
Published: August 2023

Several electrochemical biosensors based on various enzyme inhibition effects have been designed; their laboratory prototypes have been manufactured and thoroughly investigated. It should be noted that such biosensors are adapted to large‐scale production technologies. A number of advantages and disadvantages of developed biosensors based on enzyme inhibition has been discussed. It is important that all developed biosensors are not opposite to traditional analytical methods, but complement them. This is an additional system of quick and early warning about the presence of toxic substances in the environment. Such systems can save time and money in emergencies due to the possibility of quick decision‐making on local environmental problems. If necessary, more accurate, but time‐consuming and expensive traditional methods could be used for further validation and additional research of samples previously tested by biosensors.
Effects of water turbidity on the survival of Staphylococcus aureus in environmental fresh and brackish waters
Authors: Steadmon Maria , Ngiraklang Kebang , Nagata Macy , Masga Keanu , Frank Kiana L.
Published: August 2023

Staphylococcus aureus is an opportunistic pathogen frequently detected in environmental waters and commonly causes skin infections to water users. S. aureus concentrations in fresh, brackish, and marine waters are positively correlated with water turbidity. To reduce the risk of S. aureus infections from environmental waters, S. aureus survival (stability and multiplication) in turbid waters needs to be investigated. The aim of this study was to measure S. aureus in turbid fresh and brackish water samples and compare the concentrations over time to determine which conditions are associated with enhanced S. aureus survival. Eighteen samples were collected from fresh and brackish water sources from two different sites on the east side of Oʻahu, Hawaiʻi. S. aureus was detected in microcosms for up to 71 days with standard microbial culturing techniques. On average, the greatest environmental concentrations of S. aureus were in high turbidity fresh waters followed by high turbidity brackish waters. Models demonstrate that salinity and turbidity significantly predict environmental S. aureus concentrations. S. aureus persistence over the extent of the experiment was the greatest in high turbidity microcosms with T90's of 147.8 days in brackish waters and 80.8 days in freshwaters. This study indicates that saline, turbid waters, in the absence of sunlight, provides suitable conditions for enhanced persistence of S. aureus communities that may increase the risk of exposure in environmental waters.

Practitioner Points

Staphylococcus aureus concentrations, survival, and persistence were assessed in environmental fresh and brackish waters.

Experimental design preserved in situ conditions to measure S. aureus survival.

Higher initial S. aureus concentrations were observed in fresh waters with elevated turbidity, while sustained persistence was greater in brackish waters.

Water turbidity and salinity were both positively associated with S. aureus concentrations and persistence.

Climate change leads to more intense rainfall events which increase water turbidity and pathogen loading, heightening the exposure risk to S. aureus.
Perception of facial and dental asymmetries and their impact on oral health-related quality of life in children and adolescents
Authors: Flanze Katharina , Riemekasten Sandra , Hirsch Christian , Koehne Till
Published: August 2023

Background

The aim of this study was to investigate the perception of facial and dental asymmetries in children and adolescents and how these asymmetries affect their psychosocial and emotional well-being.

Methods

The study included 66 children and adolescents (7–15 years) with a deviation between the maxillary and mandibular dental midlines of > 0.5 mm. The soft tissues of the face were scanned using stereophotogrammetry. Psychosocial and emotional impairments were assessed using the German version of the Child Perceptions Questionnaire (CPQ-G8-10 and 11–14).

Results

The mean midline deviation of the study group was 2.3 mm with no significant gender differences. Girls perceived facial asymmetry significantly more often than boys (p < 0.01). However, stereophotogrammetry showed no significant differences in facial morphology between subjects who perceived their face as asymmetrical and those who perceived it as symmetrical. Interestingly, we observed a significant correlation between the deviation of the dental midline and the lateral displacement of gonion (p < 0.05) and cheilion (p < 0.01). Psychosocial and emotional impairment was significantly higher in girls than in boys (p < 0.05). However, there was no significant correlation with the measured facial asymmetries. In contrast, the CPQ subscale score was 2.68 points higher in individuals with a dental midline shift ≥ 3 mm (p < 0.01), independent of age and gender.

Conclusion

Although girls perceived facial asymmetries more strongly than boys do, this perception could not be objectified by extraoral measurements. A midline shift of 3 mm or more had a negative impact on the oral health-related quality of life of affected children and adolescents.
Hierarchical ensemble deep learning for data-driven lead time prediction
Authors: Aslan Ayse , Vasantha Gokula , El-Raoui Hanane , Quigley John , Hanson Jack , Corney Jonathan , Sherlock Andrew
Published: August 2023

This paper focuses on data-driven prediction of lead times for product orders based on the real-time production state captured at the arrival instants of orders in make-to-order production environments. In particular, we consider a sophisticated manufacturing system where a large number of measurements about the production state are available (e.g. sensor data). In response to this complex prediction challenge, we present a novel ensemble hierarchical deep learning algorithm comprised of three deep neural networks. One of these networks acts as a generalist, while the other two function as specialists for different products. Hierarchical ensemble methods have previously been successfully utilised in addressing various multi-class classification problems. In this paper, we extend this approach to encompass the regression task of lead time prediction. We demonstrate the suitability of our algorithm in two separate case studies. The first case study uses one of the largest manufacturing datasets available, the Bosch production line dataset. The second case study uses synthetic datasets generated from a reliability-based model of a multi-product, make-to-order production system, inspired by the Bosch production line. In both case studies, we demonstrate that our algorithm provides high-accuracy predictions and significantly outperforms selected benchmarks including the single deep neural network. Moreover, we find that prediction accuracy is significantly higher in the synthetic dataset, which suggests that there is complexity (i.e. subtle interactions) in industrial manufacturing processes that are not easily reproduced in artificial models
Modelling foreign exchange rate co-movement and its spatial dependence in emerging markets: a spatial econometrics approach
Authors: Djemo Charles Raoul Tchuinkam , Eita Joel Hinaunye
Published: August 2023

This paper studies the impact of macroeconomic factors on co-movement in the foreign exchange rate markets. Data of foreign exchange rates from 24 merging markets is used to this end along with a dynamic spatial Durbin model as to examine spatial dependencies among markets. Our empirical findings show no evidence that cultural ties exert a role in spreading macroeconomic shocks in the exchange rate of a country to the exchange rates of other countries. Moreover, we show that economic closeness through foreign direct investment (FDI) and international bilateral trade is the most prominent channel in spreading macroeconomic shocks and spatial effects in emerging markets through the foreign exchange rates. In addition, geographical proximity reinforces the interdependence relationship of emerging markets. Our findings show that the co-movement of foreign exchange rate markets across the selected emerging markets is positively influenced by their gross domestic product (GDP) and interest rate differential and negatively affected by the terms of trade and remittance. In addition, we reveal that terms of trade, the inflation differential, and remittance are the most prominent fundamental factors affecting foreign exchange rate movements.