bluuebunny/crossref_metadata_2025 huggingface dataset:
Comprehensive analyses of nuclear mitochondria‐related genes in the molecular features, immune infiltration, and drug sensitivity of clear cell renal cell carcinoma
Authors: Zhang Yuchen , Cao Huake , Yang Feixiang , Wang Xiaofeng , Xu Zhihao , Cheng Miao , Yang Shuqi , Tian Xuefeng , Zhang Ning , Xie Yinyin
Published: September 2024

Background

Clear cell renal cell carcinoma (ccRCC) is one of the most common urological diseases and the most common subtype of renal cell carcinoma. Nuclear mitochondria‐related genes (MTRGs) play an essential role in cancer, but their effect on ccRCC has not been clarified. This work aimed to investigate the role of nuclear MTRGs in ccRCC.

Methods

We collected nuclear MTRGs from the MITOMAP database and obtained the ccRCC profile from the TCGA database. Gene expression validation came from the GEO database. The ccRCC subtypes were determined by unsupervised clustering analysis based on the nuclear MTRGs. Immune scores were computed using the EPIC algorithm. The drug sensitivity scores were calculated using GDSC resources. A nomogram explored the diagnostic value of the nuclear MTRGs.

Results

In total, 11 nuclear MTRGs were identified as both related to prognosis and differentially expressed in ccRCC, showing a significant positive correlation with CD274 expression. We determined two subtypes of ccRCC based on these genes and found remarkable differences in survival status, immune infiltration, mutation landscape, and drug sensitivity between the two subtypes. The high‐MTRG group had a better prognosis and a lower tumor stage than the low‐MTRG group. Immune checkpoint blockade therapy was more effective for the high‐MTRG group. A nomogram based on the nuclear MTRGs concluded that patients with a higher score had poorer survival. SUCLA2 (succinate‐CoA ligase ADP‐forming subunit beta) was identified as the hub gene linked to ccRCC. High SUCLA2 expression showed a correlation with better survival and a negative correlation with the tumor mutation burden in ccRCC. Pan‐cancer analysis revealed wide‐ranging roles for SUCLA2 across human tumors.

Conclusions

Nuclear MTRGs play vital roles in determining the molecular features, immune infiltration, and drug sensitivity of ccRCC. High levels of nuclear MTRGs may indicate a better prognosis for patients with ccRCC. SUCLA2 is a representative nuclear MTRG and may serve as a protective biomarker in ccRCC. Our study provides therapeutic guidance and potential biomarkers for ccRCC patients, and contributes to the advancement of precision medicine.
Mathematical analysis of the two‐phase two‐component fluid flow in porous media by an artificial persistent variables approach
Authors: Vrbaški Anja , Žgaljić Keko Ana
Published: September 2024

This paper deals with the existence of weak solutions of the system that describes the two‐phase two‐component fluid flow in porous media. Both two‐phase and possible one‐phase flow regions are taken into account. Our research is based on a global pressure, an artificial variable that allows us to partially decouple the original equations. As a second primary unknown for the system, we choose the gas pseudo‐pressure, a persistent variable which coincides with the gas pressure in the two‐phase regions while it does not have physical meaning in one‐phase flow regions, when only the liquid phase is present. This allows us to introduce an another persistent variable that is an artificial variable in one‐phase flow regions and a physical variable in two‐phase flow regions—the capillary pseudopressure. We rewrite the system's equations in a fully equivalent form in terms of the global pressure and the gas‐pseudo pressure. In order to prove the existence of weak solutions of obtained system, we also use the capillary pseudo‐pressure. By using it, we can decouple obtained equations on the discrete level. This allows us to derive the existence result for weak solutions in more tractable way.
EAT‐Lancet Diet Pattern, Genetic Predisposition, Inflammatory Biomarkers, and Risk of Lung Cancer Incidence and Mortality
Authors: Liu Fubin , Si Changyu , Chen Linlin , Peng Yu , Wang Peng , Wang Xixuan , Gong Jianxiao , Zhou Huijun , Gu Jiale , Qin Ailing , Zhang Ming , Chen Liangkai , Song Fangfang
Published: September 2024

Scope

The association between a planetary and sustainable EAT‐Lancet diet and lung cancer remains inconclusive, with limited exploration of the role of genetic susceptibility and inflammation.

Methods and results

The study includes 175 214 cancer‐free participants in the UK Biobank. Fourteen food components are collected from a 24‐h dietary recall questionnaire. A polygenic risk score is constructed through capturing the overall risk variants for lung cancer. Sixteen inflammatory biomarkers are assayed in blood samples. Participants with the highest EAT‐Lancet diet scores (≥12) have a lower risk of lung cancer incidence (hazard ratio [HR] = 0.64, 95% confidence interval [CI]: 0.51–0.80) and mortality (HR = 0.65, 95% CI: 0.48–0.88), compared to those with the lowest EAT‐Lancet diet scores (≤8). Interestingly, there is a significantly protective trend against both lung adenocarcinoma and lung squamous cell carcinoma with higher EAT‐Lancet diet scores. Despite no significant interactions, a risk reduction trend for lung cancer is observed with increasing EAT‐Lancet diet scores and decreasing genetic risk. Ten inflammatory biomarkers partially mediate the association between the EAT‐Lancet diet and lung cancer risk.

Conclusion

The study depicts a lower risk of lung cancer conferred by the EAT‐Lancet diet associated with lower inflammation levels among individuals with diverse genetic predispositions.
Motion and temporal B0‐shift corrections for QSM and R2* mapping using dual‐echo spiral navigators and conjugate‐phase reconstruction
Authors: Meng Yuguang , Allen Jason W. , Sharghi Vahid Khalilzad , Qiu Deqiang
Published: September 2024

Purpose

To develop an efficient navigator‐based motion and temporal B0‐shift correction technique for 3D multi‐echo gradient‐echo (ME‐GRE) MRI for quantitative susceptibility mapping (QSM) and mapping.

Theory and Methods

A dual‐echo 3D stack‐of‐spiral navigator was designed to interleave with the Cartesian multi‐echo gradient‐echo acquisitions, allowing the acquisition of both low‐echo and high‐echo time signals. We additionally designed a novel conjugate phase–based reconstruction method for the joint correction of motion and temporal B0 shifts. We performed numerical simulation, phantom scans, and in vivo human scans to assess the performance of the methods.

Results

Numerical simulation and human brain scans demonstrated that the proposed technique successfully corrected artifacts induced by both head motions and temporal B0 changes. Efficient B0‐change correction with conjugate‐phase reconstruction can be performed on fewer than 10 clustered k‐space segments. In vivo scans showed that combining temporal B0 correction with motion correction further reduced artifacts and improved image quality in both and QSM images.

Conclusion

Our proposed approach of using 3D spiral navigators and a novel conjugate‐phase reconstruction method can improve susceptibility‐related measurements using MR.
Effects of dietary tocotrienol on growth, digestive enzyme activities, antioxidant capacity, histology, and disease resistance of Largemouth Bass fingerlings
Authors: Zhang Shilin , Ren Huige , Wu Wenyi , Li Luoxin , Chai Yi , Liu Wei
Published: September 2024

Objective

We sought to assess the efficacy of feeding tocotrienol, a member of the vitamin E family, as it impacts physiological functions in fingerling fish.

Methods

Fingerling Largemouth Bass Micropterus nigricans with an initial mean body weight (±SD) of 0.98 ± 0.09 g were fed five diets containing tocotrienol at 0, 10, 20, 30, and 40 mg/kg (T0, T10, T20, T30, and T40 diets, respectively) for 42 days. After the feeding experiment, fish were challenged with Largemouth Bass ranavirus (LMBV) and monitored for 48 h.

Result

Findings indicated a positive impact of tocotrienol-supplemented diets on fingerling survival. Furthermore, the weight gain and specific growth rate of fish that received the T30 and T40 diets were significantly higher than those of fish that were fed the T0 diet. Tocotrienol supplementation improved the protein efficiency ratio and condition factor and increased the whole-body lipid and protein content. Conversely, the hepatosomatic index, viscerosomatic index, and feed conversion ratio were significantly decreased by tocotrienol supplementation. Fish that were fed the T30 and T40 diets exhibited significantly higher hepatopancreas lipase activity and intestinal protease activity. Generally, superoxide dismutase and catalase activities in the liver increased as the tocotrienol level increased. Additionally, the liver malondialdehyde concentration decreased, and there was an improvement in the structure of liver cell tissue. Survival at 48 h after the LMBV challenge was significantly higher in fish that were fed the T30 and T40 diets compared to fish that were given the T0 diet. Maximum specific growth rate was observed at a tocotrienol concentration of 33.63 mg/kg.

Conclusion

Results suggest that supplementation of Largemouth Bass fingerling diets with appropriate quantities of tocotrienol can enhance survival, growth, antioxidant capacity, digestion, and uptake of nutrients as well as disease resistance.
Complex skeletal foot malformation in a Samnite “warrior grave” from Abruzzo, southern Italy (8th–5th century BCE)
Authors: Luciani Stefania
Published: September 2024

This report describes a male skeleton recovered from the Samnite necropolis of Barrea (Abruzzo, 8th–5th century BCE), showing one malformed foot consistent with the diagnosis of unilateral congenital clubfoot associated with tarsal and tarsometatarsal coalitions in the same foot. This finding is particularly noteworthy because tarsal coalitions in congenital equinovarus foot have rarely been reported in medical literature, and to our knowledge, never in the paleopathological record. The recovery of this individual with impaired locomotion from a grave containing a complete array of weapons and armor sheds new light on the occupant's identity and social attitudes toward disabled people in Samnite society. In mortuary archaeology, the correlation between warrior burials and social identity in life of the dead in ancient times is a widely debated issue. Some scholars assert that the weapons in these graves suggest the existence of a warrior class; others propose that the military items of the burial assemblage indicate a high social status or significant power. This study suggests that in Samnite society, physical impairment did not prevent someone from being honored as a warrior or high‐status community member.
Novel drug delivery materials: Chitosan polymers conjugated with Spondias pinnata phytocompounds for enhanced anti‐microbial and anti‐cancer properties
Authors: Gomathi M. , Deepa Nair , Muraleedharan Aiswarya , Maheswari Shanmugavel Uma , Thirumalaisamy R. , Selvankumar T. , Chinnathambi Arunachalam , Alharbi Sulaiman Ali
Published: September 2024

The current study aimed to investigate the drug delivery potential of chitosan‐conjugated Spondias pinnata phytocompounds for anticancer and antibacterial applications. The phytochemical composition of the aqueous extract of S. pinnata plant leaves revealed seven major compounds, including stearic acid, 2H‐Indol‐2‐one, beta amyrin, oleic acid, octadecanoic acid, 7‐hexadecenoic acid, and phytol. Additionally, five minor compounds were identified through GC–MS analysis. SEM analysis of chitosan‐conjugated S. pinnata phytocompounds revealed amorphous particles. This demonstrates the attainment of optimized larger crystallites, which differ in size and shape extensively. The antioxidant potential of both the chitosan‐conjugated S. pinnata phytocompounds and S. pinnata leaf extracts was evaluated via DPPH and ABTS assays, and the results revealed that the chitosan‐conjugated S. pinnata phytocompounds exhibited significant scavenging activity, with IC50 values of 18.20 and 33.15 μg/mL, respectively. Chitosan‐conjugated S. pinnata phytocompounds also demonstrated antibacterial activity against four clinically significant infections, with zones of inhibition ranging from 16 ± 0.07, 19 ± 0.10, 17 ± 0.09, and 19 ± 0.11 mm against Escherichia coli (MTCC 452), Salmonella typhi (MTCC 733), Klebsiella pneumonia (MTCC 39), and Pseudomonas aeruginosa (MTCC 1688), respectively. Furthermore, the cytotoxicity of the chitosan‐conjugated S. pinnata phytocompounds was assessed against A549 lung cancer cells, and the results revealed a significant reduction in cell viability (33.85) at higher concentrations of 150 μg/mL. The IC50 values of S. pinnata leaf extract (149.2 mg/mL) and chitosan‐conjugated S. pinnata (126.4 mg/mL) toward A549 lung cancer cells were recorded. Overall, the results of the present study highlight the therapeutic applications of chitosan‐conjugated S. pinnata phytocompounds, particularly in the context of their anticancer and antibacterial activities.
Insight into the compositional variation of volatile and polar compounds of Radix Bupleuri from different processing technologies by GC‐MS and UHPLC‐Q‐TOF/MS metabolomics
Authors: Li Jiaxi , Yan Chengye , Li Jiahao , Yong Xin , Han Siming , Yang Xiaotong , Du Jie , Xu Huijun
Published: September 2024

Introduction

Insight into comparing key active ingredients of Radix Bupleuri (RB) based on different processing technologies is a key step to reveal the material basis of drug efficacy and a challenging task for developing traditional Chinese medicine (TCM).

Objective

This work aims to establish a comprehensive comparative analysis method of TCM and its processed products, which can be used to analyze the changing trend of active components of RB before and after processing.

Methods

First, RB was processed with rice vinegar, rice wine, and honey. Then, ultra‐high‐performance liquid chromatography (UHPLC) and gas chromatography (GC) coupled with mass spectrometry (MS) technology as well as multiple statistical analyses were used to comprehensively evaluate the compositional variation of polar and volatile compounds in RB under different processing processes. Meanwhile, in UHPLC‐MS, a sequential window acquisition of all theoretical fragment ion spectral and information‐dependent acquisition mutual authentication (SIMA) was developed.

Results

A total of 30 polar components and 33 volatile components were identified as chemical markers (mainly type II saikosaponins, terpenes, and fatty acid esters). These may be the material basis for giving unique pharmacological activities to RB and its processed products.

Conclusions

These findings provided a solid foundation for the differentiated clinical application of RB, and the SIMA method held great potential for achieving accurate analysis of TCM processing ingredients.
Feature‐based molecular networking and MS2LDA analysis for the dereplication of adjacent bis‐tetrahydrofuran Annonaceous acetogenins
Authors: Gurgul Aleksandra , Che Chun‐Tao
Published: September 2024

Introduction

Annonaceous acetogenins are a group of natural polyketide compounds possessing notable cytotoxic and antitumor properties. Mass spectrometry (MS) techniques can be used for the structural determination of these compounds, including the location of functional groups along the long alkyl chain.

Objective

This study aims to develop a convenient liquid chromatography (LC)–MS‐based method for the dereplication of acetogenins in plant extracts using a molecular networking approach.

Methodology

The LC–electrospray ionization (ESI)–MS/MS spectra of pure adjacent bis‐tetrahydrofuran (THF) acetogenins isolated from Uvaria rufa (Annonaceae) were acquired, along with those of the crude ethyl acetate and hexanes fractions of the plant extract, followed by dereplication and molecular networking analysis using the Global Natural Products Social Molecular Networking (GNPS) platform.

Results

A high level of fragmentation of the protonated molecules [M + H]+ was observed at collision energies of 37.5 and 25.0 eV. The application of feature‐based molecular networking (FBMN) allowed for distinguishing diastereoisomers based on different retention times in the reversed‐phase high‐performance liquid chromatography method. The acetogenin possessing one or more additional OH groups on the methyl‐terminal chain side of the OH‐flanked bis‐THF ring unit were grouped separately from those lacking such substructure. Furthermore, the MS2LDA analysis revealed shared Mass2Motifs among acetogenins, confirming the structural relations within the molecular network.

Conclusions

The ESI–MS/MS‐based molecular networking method provided an effective strategy for the dereplication of acetogenins in plant extracts. It is anticipated that this molecular networking approach could be extended to other types of acetogenins to facilitate rapid identification of this class of compounds.
NIR‐induced upconversion‐assisted photopolymerization: Key factors, challenges, and future directions
Authors: Kandeloos Amirhossein Jalali , Bastani Saeed , Ghahari Mehdi , Jalili Mojtaba , Lalevée Jacques
Published: September 2024

NIR‐induced upconversion‐assisted photopolymerization has gained growing attention in the past two decades because of its numerous advantages over conventional UV/visible photopolymerization and two‐photon polymerization processes. However, research in this area is still in its early stages. To extend the practical application of NIR‐induced radiation curing, it is essential to optimize the factors affecting the photopolymerization reactions. Researchers have been constantly trying to improve these factors to tune the photo‐physical characteristics (luminescence intensity and color) of upconversion particles (UCPs), enhance curing depths and degree of double bond conversion (DC), and investigate the application of UCPs in emerging fields. In this review, first, a brief discussion of the upconversion mechanisms and upconversion efficiency is provided. Then, a detailed discussion of the factors influencing the upconversion‐assisted photopolymerization comprising UCP nature and characteristics, UCP content, presence of fillers/pigments/additives, laser intensity, photoinitiator content, and maximum absorption wavelength of photoinitiator is provided, and recent progress in improving these factors is presented. Finally, the advantages and drawbacks of the UC‐initiated polymerization are discussed, and perspectives for future directions are suggested.

Highlights

NIR‐induced upconversion‐assisted photopolymerization garners growing interest.

Influential factors in upconversion‐assisted photopolymerization are thoroughly discussed.

The recent progress on improving these factors and the future directions are provided.
Impact of photochemical aging on high‐performance fabrics used in firefighters' protective clothing
Authors: Hoque Md. Saiful , Dolez Patricia I.
Published: September 2024

High‐performance fabrics used in the outer shell of firefighters' protective clothing protect the wearer from severe conditions. These fabrics are exposed to ultraviolet (UV) radiation during service and storage, which may eventually reduce their performance. This study explored the effect of accelerated photochemical aging on three fabrics used in the outer shell of firefighters' protective clothing; they corresponded to aramid copolymer/polybenzoxazole, para‐aramid/meta‐aramid, and para‐aramid/polybenzimidazole fiber blends. The fabric specimens were subjected to irradiances between 0.35 and 1.35 W/m2 at temperatures between 40°C and 80°C for up to 600 hours. They were tested for breaking force and apparent water contact angle. Complementary microscopy, chemical, and physicochemical analysis were also performed. The UV‐aged para‐aramid/polybenzimidazole fabric demonstrated a better breaking force retention compared to the aramid copolymer/polybenzoxazole and para‐aramid/meta‐aramid fabrics. The considerable reduction in strength observed in the two latter fabrics was associated with fiber breakage. Furthermore, the apparent water contact angle significantly decreased following UV exposure, indicating the potential degradation of the fabric surface finish. On the other hand, no significant changes in the crystallinity index were detected whereas potential decreases in the peak intensity of some chemical functional groups were observed after photochemical aging. These results highlight the significance of material selection in enhancing the long‐term performance of fire‐protective fabrics and offer insightful information on the photochemical aging of high‐performance fabrics.
The effect of copolymerization of Hou Po‐bisphenol units on cationic waterborne polyurethane
Authors: Li Yankun , Luan Wenbo , Yuan Peichen , Zhen Guanzhou , Xing An , Wu Haitao , Guo Longhai , Li Xiaoyu , Ye Jun , Qiu Teng
Published: September 2024

Bio‐based bisphenols from Hou Po (Cortex Magnoliae Officinalis, one of the popularly used herb in traditional Chinese medicine) was applied as a new kind of the chain extender for the synthesis of cationic waterborne polyurethane (CWPU). Since the representative Hou Po‐bisphenols include magnolol (MAG), honokiol (HON) and Magnolia officinalis extract (MPE), to explore their subtle structure effects and distinguish them from their petrochemical analogs of bisphenol A (BPA) and 2,2′‐biphenol (OBP), the CWPU modified by different bisphenols were systematically characterized and compared. It has been found that the copolymerization of MAG onto the backbone of CWPU can give out superior film toughness, damping factors and self‐healing efficiency (>90%). The elastic film recovered from the cut‐off damage exhibited the tensile strength of 41.5 MPa and the elongation at break of 940%. On the contrary, MPE modified CWPU exhibited remarkable reinforcement effect on the CWPU films, and the tensile strength reached ~50 MPa but with the sacrificed reversibility. The enhanced thermal stability and surface hydrophobicity were also pronounced on the MPE modified CWPU. The very different roles of the Hou Po‐bisphenols are in sharply distinctive from their petrochemical analogs, providing new insights into the design of biologically sourced materials.
Control of Skyrmions in Confined Devices for Multistate Memory Application
Authors: Al Saidi Warda , Sbiaa Rachid , Al Risi Suleiman , Al Shanfari Fatma , Dusch Yannick , Tiercelin Nicolas
Published: September 2024

The dynamics and stability of magnetic skyrmions within a nano‐track with multiple confinements are investigated. The motion of a single skyrmion under a polarized electric current is studied. By adjusting the current magnitude and pulse width, the study reveals the possibility of pinning the skyrmion in each confinement. The depinning of the skyrmion from the top confinement requires two pulses with adjustable time delay while a single pulse is enough to depin it for the case of bottom confinement. The study is extended to two skyrmions and it is found that once a skyrmion is pinned in one confinement, the second one stabilizes in the nearest available empty state. The results show that a multistate device could be obtained with the existence of only one skyrmion per state. This scheme offers an accurate way of controlling the resistance of the devices and thus could be used for multistate memory devices.
UAMFDet: Acoustic‐Optical Fusion for Underwater Multi‐Modal Object Detection
Authors: Chen Haojie , Wang Zhuo , Qin Hongde , Mu Xiaokai
Published: September 2024

Underwater object detection serves as a crucial means for autonomous underwater vehicles (AUVs) to gain awareness of their surroundings. Currently, AUVs predominantly depend on underwater optical cameras or sonar sensing techniques to furnish vital information sources for subsequent tasks such as underwater rescue and mining exploration. However, the influence of underwater light attenuation or significant background noise often leads to the failure of either the acoustic or optical sensor. Consequently, the traditional single‐modal object detection network, which relies exclusively on either the optical or acoustic modality, struggles to adapt to the varying complexities of underwater environments. To address this challenge, this paper proposes a novel underwater acoustic‐optical fusion‐based underwater multi‐modal object detection paradigm termed UAMFDet, which fuses highly misaligned acoustic‐optical features in the spatial dimension at both the fine‐grained level and the instance level. First, we propose a multi‐modal deformable self‐aligned feature fusion module to adaptively capture feature dependencies between multi‐modal targets, and perform self‐aligned multi‐modal fine‐grained feature fusion by differential fusion. Then a multi‐modal instance‐level feature matching network is designed. It matches multi‐modal instance features by a lightweight cross‐attention mechanism and performs differential fusion to achieve instance‐level feature fusion. In addition, we establish a data set dedicated to underwater acoustic‐optical fusion object detection tasks called UAOF, and conduct a large number of experiments on the UAOF data set to verify the effectiveness of UAMFDet.
Initial ecological recovery post‐weir removal amidst catchment‐wide improvements, in a groundwater‐dominated chalk stream
Authors: England J. , White J. C. , Johns T. , Meadows G. , Hannah D. M.
Published: September 2024

Physical habitat modification is one of the main pressures affecting river environments, impacting their ecosystem health and compromising their ability to adapt to the effects of climate change. Addressing the impacts of physical modification through reinvigorating natural processes has become a globally established river restoration technique. Here, we appraised such an approach by assessing ecological responses to a weir removal project on an English groundwater‐dominated ‘chalk’ stream. Using a Before‐After‐Control‐Impact (BACI) approach, we found that 3 years post‐restoration the macroinvertebrate communities are moving towards those of the target community both in terms of structural complexity (e.g., taxonomic composition) and functional integrity (e.g., trait composition). The progress is ongoing and has occurred alongside wider catchment improvements. Our results indicate that ecological responses to passive restoration undertaken on low energy streams, such as chalk streams, may be gradual, and thus longer‐term assessment is needed to fully appraise ecological recovery. We highlight the importance of a BACI approach to understand the local responses to restoration in a catchment context. Our findings also provide further evidence highlighting complementary ecological information provided by assessing taxonomic and functional properties concurrently in post‐project appraisals. A better understanding of ecological recovery times should be incorporated into future restoration planning. Such evidence would help develop robust assessments over appropriate timescales, increasing the likelihood of accurately and effectively appraising restoration project success, and helping to build support to increase the scale and pace of restoration actions needed to address biodiversity loss.
Assessing the Performance of Machine Learning Methods Trained on Public Health Observational Data: A Case Study From COVID‐19
Authors: Pigoli Davide , Baker Kieran , Budd Jobie , Butler Lorraine , Coppock Harry , Egglestone Sabrina , Gilmour Steven G. , Holmes Chris , Hurley David , Jersakova Radka , Kiskin Ivan , Koutra Vasiliki , Mellor Jonathon , Nicholson George , Packham Joe , Patel Selina , Payne Richard , Roberts Stephen J. , Schuller Björn W. , Tendero‐Cañadas Ana , Thornley Tracey , Titcomb Alexander
Published: September 2024

From early in the coronavirus disease 2019 (COVID‐19) pandemic, there was interest in using machine learning methods to predict COVID‐19 infection status based on vocal audio signals, for example, cough recordings. However, early studies had limitations in terms of data collection and of how the performances of the proposed predictive models were assessed. This article describes how these limitations have been overcome in a study carried out by the Turing‐RSS Health Data Laboratory and the UK Health Security Agency. As part of the study, the UK Health Security Agency collected a dataset of acoustic recordings, SARS‐CoV‐2 infection status and extensive study participant meta‐data. This allowed us to rigorously assess state‐of‐the‐art machine learning techniques to predict SARS‐CoV‐2 infection status based on vocal audio signals. The lessons learned from this project should inform future studies on statistical evaluation methods to assess the performance of machine learning techniques for public health tasks.
Development of a Healing, Antimicrobial, and Anti‐Inflammatory Gel Containing Cellulose and Curcumin for Wound Treatment
Authors: Neves Danielle Dias , da Silva Wagner Eduardo , de Castro Souza Neto Júnior José , da Silva Junior Valdemiro Amaro , Belian Mônica Freire
Published: September 2024

This work presents the production of a gel containing bacterial cellulose and curcumin and the anti‐inflammatory and healing activity assayed according to an animal model (BC‐curcumin). The methodology consisted of the production of bacterial cellulose (BC) using a glycerol‐based culture medium, subsequentially purified and transformed into a powder and added to an ethanolic curcumin solution, acting as a carrier matrix of a bioactive compound, as well as this component present in the gel proposal, promotes the prolonged liberation of curcumin. The BC and BC‐curcumin were characterized by infrared spectroscopy, thermogravimetric analysis, and scanning electron microscopy. The antimicrobial activity of the developed gel was confirmed through halo inhibition zone assay and minimum inhibitory concentration against strains of Pseudomonas aeruginosa, Staphylococcus aureus, and Escherichia coli, whose presenting halos with diameters of 21, 26, and 14 mm, and concentrations of 63.78, 6.16 and 136.65 μg mL−1 for the three microorganisms, respectively. The healing and anti‐inflammatory activities were observed according to in vivo assays using Wistar rats, which demonstrated a high healing potential, also confirmed by histopathological study of the tissue samples extracted from the healing area.
Synthesis of Novel Benzimidazole Analogs for Neurodegenerative Diseases by Targeting Prolyl Oligopeptidase
Authors: Shakoor Abdul , Alam Aftab , Ali Mumtaz , Ullah Saeed , Halim Sobia Ahsan , Rehman Munir Ur , AlAsmari Abdullah F. , Alasmari Fawaz , Khan Ajmal , Khan Momin , Al‐Harrasi Ahmed
Published: September 2024

A novel series of benzimidazole hydrazone‐Schiff bases have been prepared through multi‐step reaction process and structurally confirmed by13C‐,1H‐NMR and HR‐MS (ESI) spectroscopic techniques and evaluated against prolyl oligopeptidase (POP) inhibitory activity. In the series, eleven derivatives 20, 14 15, 19, 10, 9, 11, 4, 5, 18, and 21 revealed excellent inhibition potential having IC50 values from (IC50=1.44±0.08 μM) to (IC50=5.66±0.48 μM). However, six out of twenty compounds 12, 16, 13, 17, 22, and 3 attributed significant activity while, three compounds were found good active in the range of IC50 values 10.43±0.57 to 11.45±0.63 μM. The docking studies indicates that the hydrazone moiety show an imperative part in binding with one of the catalytic residues (Arg643) in the substrate binding region of POP enzyme. The excellent inhibitions of these compounds for POP enzyme may lead them to be a good candidates for drug against neurodegenerative diseases.
Green Silver Nanoparticles and Their Activity as Antifungal Agents Against Penicillium digitatum Causing Green Mould of Citrus
Authors: Sharma Kishor , Raj Harender , Sharma Adikshita , Sharma Monica , Sharma Amit , Thakur Atul
Published: September 2024

The green synthesis of silver nanoparticles (SNPs) using aqueous extracts of five plants viz., Ocimum americanum, Azadirachta indica, Allium sativum, Eucalyptus hybrida, Zingiber officinale were evaluated for their antifungal property against Penicillium digitatum, a green mould pathogen of citrus fruits. The five plant species were selected from a screening of aqueous extracts from 16 plant species. The efficacy of aqueous extracts, at 50 % concentration, ranged from 14.44–68.52 % inhibition in mycelia growth of P. digitatum. Among SNPs, O. americanum was found most efficacious, at 1000 ppm concentration, with 80.7 % mycelial inhibition followed by A. indica with 77.4 % mycelial growth inhibition of fungal pathogen. Further, physical and structural characterization of SNPs of O. americanum and A. indica was carried out. The characterization analysis executed via transmission and scanning electron microscope revealed size distribution and nanoparticles were spherical to irregularly shaped ranging from 22.8–250 nm in O. americanum and 26.5–500 nm in A. indica. In UV‐visible spectrophotometer, the absolute absorption peak was recorded at 448 nm and 442 nm for O. americanum and A. indica, respectively. FTIR analysis of SNPs of A. indica and O. americanum confirmed the presence of carboxyl, amide group and secondary amines which were the main constituent of proteins. The novelty of the present study is in the green synthesis of silver nanoparticles with potential in the management of postharvest pathogens of fruit crops. The synthesis of SNPs used in this study is simple, environmentally benign and cost‐effective using aqueous extract of native plants.
Synthesis, Cytotoxicity, and Quantitative Structure–Activity Relationship Studies of Alkyl Triphenylphosphonium Pinostrobin Derivatives
Authors: Tran Tu Hoai , Le Tho Huu , Truong Hai Nhung , Dang Thanh Minh , Nguyen Mai Thanh Thi , Nguyen Nhan Trung , Dang Phu Hoang
Published: September 2024

Pinostrobin, an isolated compound from Boesenbergia rotunda, has been shown to have potent anti‐proliferation and apoptosis effects in cancer stem‐like cells. However, its hydrophobic properties reduce its bioavailability. Eight new alkyl‐TPP+ pinostrobin derivatives were synthesized and assessed for their cytotoxicity against the human HepG2 liver cancer cell line using the alamarBlue assay. All derivatives exhibited moderate cytotoxicity, with the IC50 values ranging from 38.55–101.95 μM, and were more potent than pinostrobin and pinostrobin hydrazone (IC50>100 μM). Four alkyl‐TPP+ pinostrobin hydrazone amide derivatives showed more potent cytotoxicity than four alkyl‐TPP+ pinostrobin ester derivatives. QSAR analysis showed key 3D structural descriptors of TPP+‐based compounds responsible for cytotoxicity against HepG2 cells for the first time. The resultant 3D‐QSAR models using PLS and PCR methods were evaluated and found reliable in predicting the cytotoxicity of other TPP+‐based compounds.
Synthesis, Characterization, and Optical Properties of Novel Heterocyclic Azo Dyes and Evaluation of Their Antioxidant Activity as an Active Sunscreen Agent
Authors: Surendranaik Y. , Venkatesh Talavara , Ereshanaik  , Chethan
Published: September 2024

We synthesized some novel isoxazole azo derivatives using conventional methods and studied their linear, non‐linear optical properties and antioxidant activity. UV‐Vis spectroscopy revealed absorption bands ranging from 310–470 nm for the obtained compounds. Compounds 3 c and 3 b, for example, showed a large redshift and solvatochromic behavior. NLO analysis results show that compounds exhibit a greater NLO response than the magnitude of urea done by the DFT method. The electrochemical properties of compounds are studied using cyclic voltammetry and results are used for calculation of HOMO and LUMO experimentally. The antioxidant activity of the synthesized azo dyes displayed that 3 c has excellent antioxidant activity with the highest percentage (71.54605 %) of radical inhibition as compared to reference standard Vit‐C. Molecular docking analysis shows that compounds have a strong binding affinity in the range of −7.0 to −4.6 kcal/mol compared to Vit‐C, which has a binding affinity of −3.6 kcal/mol. The sun protection factor performance was determined by UV‐Vis spectroscopy, and results show that compounds are most effective, exhibit a remarkable SPF value, and offer superior sun protection by absorbing UV rays.
An Ultramicroporous Zinc‐Based Zeolitic Imidazolate Framework‐8 for the Adsorption of CO2, CH4, CO, N2 and H2: A Combined Experimental and Theoretical Study
Authors: Ahmed Khalil Sana , Missaoui Nadhem , Alatawi Raedah A. S. , Keshk Ali A. , Alatawi Obaidallah , Albalawi Tahani A. , Gross Andrew J
Published: September 2024

An alternative synthesis route to obtain ultramicroporous zeolitic imidazolate framework‐8 (ZIF‐8) is reported that is rapid and does not require organic solvent or heating. The polyethylene glycol‐templated ZIF‐8 nanoparticles (<50 nm size) exhibited a high BET (Brunauer, Emmett and Teller) surface area of 1853 m2/g, a total pore volume of 0.73 cm3/g, and 0.54 nm ultramicropores. A new approach is introduced here to better understand gas adsorption in porous metal organic frameworks (MOFs) that combines theoretical and experimental isotherm data obtained for five gases with statistical physics modelling. The multiscale analytical model reveals that the gas molecules, irrespective of their structure, adsorb in a mixed orientation at low temperature, and a parallel multi‐molecular orientation at higher temperature. The number of gas molecules adsorbed per site ranged from 0.83–2.2 while the number of adsorbent layers ranged between 1.4–5.6, depending on the gas and the temperature. The multilayer adsorption processes involved adsorption energies from 2.85 kJ/mol–9.77 kJ/mol for all gases, consistent with physisorption via van der Waals and London dispersion forces. The initial adsorption energies were higher and therefore stronger. A particularly high capacity for CO2 of 1088 mg(CO2)/g at 298 K was observed while H2 adsorption was only 9 mg(H2)/g. The other gases adsorbed at 145 mg/g–245 mg/g at 298 K. Thermodynamic functions that governed the adsorption process such as the internal energy, the enthalpy, and Gibbs free energy, are also reported, as well as the adsorption entropies, for the 5 gases.
Production Sericin/Poly(Vinyl Alcohol) Blend Membranes Containing One‐Step Synthesized Silver Nanoparticles by UV Radiation for Obtaining Versatile Antibacterial Materials
Authors: Temel Aleyna , Nuran Doğan Hatice , Yıldız Emine , Yanık Gizem , Gün Gök Zehra
Published: September 2024

In this study, silver nanoparticles (AgNPs) were in‐situ synthesized in silk sericin/poly(vinyl alcohol) (SS/PVA) mixtures by an easy one‐step synthesis method with the presence of ultraviolet (UV) radiation. Then, the SS/PVA composite membranes containing AgNPs were obtained by solvent casting method. The chemical structures of the membranes were investigated by fourier‐transform infrared spectroscopy (FTIR) and results showed that the membranes were a mixture of silk sericin and PVA. The morphological features of the membranes were investigated by field emission scanning electron microscopy (FE‐SEM) and it was seen that AgNPs containing membranes have heterogeneous structures. Energy dispersive spectroscopy (EDS) analysis revealed that the membranes contain carbon, oxygen, nitrogen, sulfur and silver. X‐ray diffractometer (XRD) and thermogravimetric (TGA) analyses also proved the presence of AgNPs in the structure of membranes. The antibacterial activities of membranes containing AgNPs were investigated on Staphylococcus aureus and Escherichia coli bacteria with disk diffusion test and liquid culture medium incubation. It was found that SS/PVA membranes containing 5 and 10 mM AgNPs have quite high antibacterial activity on both types of bacteria. The functional SS/PVA membranes have capacity to be used in biomedical applications such as wound care materials.
Synthesis of Accessible Triphenylamine End‐Capped Oligothiophene Emitters for Solution Processed and Printed OLEDs
Authors: Ghanem Tatiana , Gasonoo Akpeko , Yassin Ali , Puchán Sánchez Darío , Blanchard Philippe , Welch Gregory C. , Cabanetos Clément
Published: September 2024

Displays have become ubiquitous in our modern and highly interconnected lives. Complex vacuum processed multi‐stacks are widely integrated into high tech, high value products such as smart phones, while solution processed large area single‐layer OLEDs appear more adequate for basic applications focusing on recyclability such as packaging, road signage, advertising, and single‐use health care products. In this context, we report herein the design, synthesis, and characterization of an accessible series of oligothiophenes end‐capped triphenylamines that were preprepared by atom‐economical direct (hetero)arylation reactions and successfully used as emitter in solution processed devices, from lab scale to large area printed and flexible demonstrator.
Giant Optical Anisotropy Induced by Magnetic Order in FePS3/WSe2 Heterostructures
Authors: Chen Junying , Xie Xing , Oyang Xinyu , Li Shaofei , He Jun , Liu Zongwen , Wang Jian‐Tao , Liu Yanping
Published: September 2024

Magnetic 2D materials offer a promising platform for manipulating quantum states at the nanoscale. Recent studies have underscored the significant influence of 2D magnetic materials on the optical behaviors of transition‐metal dichalcogenides (TMDs), revealing phenomena such as interlayer exciton‐magnon interactions, magnetization‐dependent valley polarization, and an enhanced Zeeman effect. However, the controlled manipulation of anisotropic optical properties in TMDs via magnetism remains challenging. Here, the magnetic ordering in FePS3 profoundly impacts the optical characteristics of WSe2, achieving a giant linear polarization degree of 5.1 in exciton emission is demonstrated. This is supported by a detailed analysis of low‐temperature photoluminescence (PL) and Raman spectra from nL‐FePS3/WSe2 heterostructures. These findings indicate that a phase transition in FePS3 from paramagnetic to antiferromagnetic enhances interlayer Coulomb interactions, inducing a transition from non‐polar to polar behavior in the heterostructures. Additionally, valley‐polarized PL spectra under magnetic fields from −9 to 9 T reveal the influence of FePS3 on valley polarization and Zeeman splitting of excitons in monolayer WSe2. These results present a novel strategy for tailoring the optoelectronic properties of 2D magnetic van der Waals heterostructures, paving the way for advancements in nanoscale device design.
Gene‐Engineered Cerium‐Exosomes Mediate Atherosclerosis Therapy Through Remodeling of the Inflammatory Microenvironment and DNA Damage Repair
Authors: Wei Peng , Wang Yifan , Feng Haiyan , Zhang Fan , Ji Zhenyan , Zhang Kai , Zhang Qiang , Jiang Lixian , Qian Yuxuan , Fu Yimu
Published: September 2024

The pro‐inflammatory immune microenvironment in the localized lesion areas and the absence of DNA damage repair mechanisms in endothelial cells serve as essential accelerating factors in the development of atherosclerosis. The lack of targeted therapeutic strategies represents a significant limitation in the efficacy of therapeutic agents for atherosclerosis. In this study, Genetically engineered SNHG12‐loaded cerium‐macrophage exosomes (Ce‐Exo) are designed as atherosclerosis‐targeting agents. In vivo studies demonstrated that Ce‐Exo exhibited multivalent targeting properties for macrophages, with a 4.1‐fold higher atherosclerotic plaque‐aggregation ability than that of the control drugs. This suggests that Ce‐Exo has a higher homing capacity and deeper penetration into the atherosclerotic plaque. In apolipoprotein E‐deficient mice, Ce‐Exo found to effectively remodel the immune microenvironment in the lesion area, repair endothelial cell damage, and inhibit the development of atherosclerosis. This study provides a novel approach to the treatment of atherosclerosis and demonstrates the potential of cell‐derived drug carriers in biomedicine.
Covalent Triazine‐Based Frameworks with Ru‐tda Based Catalyst Anchored via Coordination Bond for Photoinduced Water Oxidation
Authors: Salati Martina , Dorchies Florian , Wang Jia‐Wei , Ventosa Marta , González‐Carrero Soranyel , Bozal‐Ginesta Carlota , Holub Jan , Rüdiger Olaf , DeBeer Serena , Gimbert‐Suriñach Carolina , Durrant James R. , Ertem Mehmed Z. , Gil‐Sepulcre Marcos , Llobet Antoni
Published: September 2024

Light‐induced water splitting (hν‐WS) for the production of hydrogen as a solar fuel is considered a promising sustainable strategy for the replacement of fossil fuels. An efficient system for hν‐WS involves a photoactive material that, upon shining light, is capable of separating and transferring charges to catalysts for the hydrogen and oxygen evolution processes. Covalent triazine‐based frameworks (CTFs) represent an interesting class of 2D organic light‐absorbing materials that have recently emerged thanks to their tunable structural, optical and morphological properties. Typically, catalysts (Cat) are metallic nanoparticles generated in situ after photoelectroreduction of metal precursors or directly drop‐casted on top of the CTF material to generate Cat‐CTF assemblies. In this work, the synthesis, characterization and photocatalytic performance of a novel hybrid material, Ru‐CTF, is reported, based on a CTF structure featuring dangling pyridyl groups that allow the Ru‐tda (tda is [2,2′:6′,2′“‐terpyridine]‐6,6′”‐dicarboxylic acid) water oxidation catalyst (WOC) unit to coordinate via covalent bond. The Ru‐CTF molecular hybrid material can carry out the light‐induced water oxidation reaction efficiently at neutral pH, reaching values of maximum TOF of 17 h−1 and TONs in the range of 220 using sodium persulfate as a sacrificial electron acceptor.
Dual Oxygen‐Supply Immunosuppression‐Inhibiting Nanomedicine to Avoid the Intratumoral Recruitment of Myeloid‐Derived Suppressor Cells
Authors: Yang Zhengyang , Zuo Huaqin , Hou Yuchen , Zhou Shuqin , Zhang Ying , Yang Wanren , He Jian , Shen Xiaofei , Peng Qing
Published: September 2024

Myeloid‐derived suppressor cells (MDSCs) are reported to be responsible for the negative prognosis of colorectal cancer (CRC) patients due to the mediated immunosuppressive tumor microenvironment (TME). The selective and chronic circumvention of tumor‐infiltrated MDSCs has potential clinical significance for CRC treatment, which unluckily remains a technical challenge. Because tumor hypoxia makes a significant contribution to the recruitment of MDSCs in tumor sites, a dual oxygen‐supplied immunosuppression‐inhibiting nanomedicine (DOIN) is demonstrated for overcoming tumor hypoxia, which achieves selective and long‐term inhibition of intratumoral recruitment of MDSCs. The DOIN is constructed by the encasement of perfluorooctyl bromide (PFOB) and 4‐methylumbelliferone (4‐MU) into a TME‐responsive amphiphilic polymer. This nanoplatform directly carries oxygen to the tumor region and simultaneously loosens the condensed tumor extracellular matrix for the normalization of tumor vasculature, which selectively remodels the TME toward one adverse to the intratumoral recruitment of MDSCs. Importantly, this nanoplatform offers a long‐acting alleviation of the hypoxic TME, chronically avoiding the comeback of tumor‐infiltrated MDSCs. Consequently, the immunosuppressive TME is relieved, and T cells are successfully proliferated and activated into cytotoxic T lymphocytes, which boosts a systemic immune response and contributes to lasting inhibition of tumor growth with a prolonged survival span of xenograft.