bluuebunny/crossref_metadata_2025 huggingface dataset:
In vitro digestive behavior of emulsifier‐stabilized excipient emulsions affects the bioaccessibility of flavonoids
Authors: Lin Yanping , McClements David Julian , Zhang Junlin , Ke Liang , He Yi , Xiao Jie , Cao Yong , Liu Xiaojuan
Published: October 2024

BACKGROUND

Flavonoids, found in common vegetables and fruits, have health benefits that are often limited by their low bioavailability. Excipient emulsions provide an effective strategy to overcome these obstacles. However, the nature of the emulsifier used to formulate excipient emulsions and the chemical structure of the flavonoids both affect the bioaccessibility of the flavonoids.

RESULTS

The purpose of this study was to investigate the impact of the interfacial properties of excipient emulsions on the in vitro gastrointestinal fate of representative structural flavonoids (quercetin, kaempferol, and apigenin) through the INFOGEST method. Tween 80 (TW80) (a nonionic surfactant) was more effective at reducing the oil–water interfacial tension than whey protein isolate (WPI) (a protein‐based emulsifier) or octenyl succinic anhydride (OSA)‐modified starch (MS) (a polysaccharide‐based emulsifier). Moreover, TW80 created excipient emulsions with smaller oil droplets, which were more resistant to oral and gastric conditions. The WPI‐emulsions underwent severe flocculation in the gastric phase, leading to an appreciable increase in particle size (from 220 to 3000 nm). The TW80‐coated oil droplets were more digestible than WPI‐ or MS‐coated ones. This was attributed to the larger lipid surface area for lipase attachment. The bioaccessibility of quercetin, kaempferol, and apigenin was also affected by emulsifiers: TW 80 (25% to 45%) > WPI (14% to 29%) ≈ MS (15% to 25%). Flavonoid bioaccessibility appeared to be related to their molecular properties.

CONCLUSION

This study provides guidance for the design of effective excipient emulsions to enhance the bioavailability of flavonoids. © 2024 Society of Chemical Industry.
Inter‐Reader Agreement for Contrast‐Enhanced Ultrasound Liver Imaging Reporting and Data System Major Features and Final Categorization
Authors: Kuon Yeng Escalante Cristina M. , Siu Xiao Tania , Kono Yuko , Piscaglia Fabio , Wilson Stephanie R. , Medellin Alexandra , Rodgers Shuchi K. , Planz Virginia , Kamaya Aya , Fetzer David T. , Berzigotti Annalisa , Sidhu Paul S. , Wessner Corinne E. , Bradigan Kristen , Eisenbrey John R. , Forsberg Flemming , Lyshchik Andrej ,   CEUS LI‐RADS Trial Group
Published: October 2024

Objectives

Contrast‐enhanced ultrasound (CEUS) Liver Imaging Reporting and Data System (LI‐RADS) is used to definitively diagnose hepatocellular carcinoma (HCC) in patients at risk. However, the user variability associated with CEUS LI‐RADS has not been validated in North American and European patients. This study aims to evaluate the inter‐reader agreements of CEUS LI‐RADS features for, and final categorization of, HCC in patients at risk.

Methods

This retrospective multicenter clinical study used the database of a previous prospective multinational study, evaluating the accuracy of CEUS LI‐RADS for HCC diagnosis in patients at risk. All cases were first evaluated by a site physician performing/supervising the CEUS examination. Randomly selected cases were re‐evaluated by a blinded central reader. Final diagnosis was confirmed with the reference standard, which was a composite of imaging tests and histology. Cohen's kappa test was used to evaluate inter‐reader agreement.

Results

This study included 150 liver nodules and 58.0% (87/150) were confirmed as HCC, 4.7% (7/150) non‐HCC malignancies, 22.7% (34/150) had no confirmed final diagnosis, and 14.7% (22/150) were nonmalignant. Inter‐reader agreements were substantial for CEUS LI‐RADS categorization (κ = 0.61; 95% confidence interval [CI]: 0.51–0.71) and major features assessment (ranged κ = 0.64–0.78), LR‐5 (κ = 0.65; 95% CI: 0.52–0.77), and LR‐M (κ = 0.67; 95% CI: 0.44–0.90), while for LR‐1 and LR‐2 categorization was almost perfect (κ = 0.85; 95% CI: 0.65–1.00).

Conclusion

Our study reported a substantial inter‐reader agreement for overall CEUS LI‐RADS categorization, especially for LR‐5 and LR‐M, and major imaging features of HCC, further confirming CEUS LI‐RADS as a valuable and reliable tool for diagnosis of HCC.
Biocompatible Zn‐Phthalocyanine/Gelatin Nanofiber Membrane for Antibacterial Therapy
Authors: Clementi Romina , Vargas Maria Angela , Cid Mariana , Salvatierra Nancy , Comín Romina , Tempesti Tomas
Published: October 2024

In this study, the fabrication and characterization of Zn‐phthalocyanine/gelatin nanofibrous membranes is reported using the electrospinning technique. The membranes exhibit a homogeneous distribution of Zn‐phthalocyanine within the gelatin matrix, maintaining the structural integrity and photosensitizing properties of the phthalocyanine. Scanning electron microscopy revealed that the electrospun fibers possess diameters ranging results as 100–300, 200–700, and 300–800 nm for Gel, ZnPc/Gel 1, and ZnPc/Gel 2, respectively. The addition of ZnPc does not decrease the hydrophilicity of the Gel membrane. The nanofibrous membranes showed good cytocompatibility, as indicated by the high viability of Vero cells exposed to membrane extracts. Furthermore, these composites supported cell adhesion and proliferation on their surfaces. The two Zn‐phthalocyanine/gelatin nanofiber formulations exhibited significant antimicrobial activity toward Escherichia Coli (E. Coli) and Staphylococcus Aureus (S. Aureus) under visible light illumination, achieving reductions of 3.4 log10 and 3.6 log10 CFU mL−1 for E. coli, and 3.9 log10 and 4.1 log10 CFU mL−1 for S. aureus. These results demonstrate the potential of Zn‐phthalocyanine/gelatin nanofibrous membranes as effective agents in antibacterial photodynamic therapy, providing a promising solution to control bacterial infections and antibiotic resistance.
Emissive Hydrazone‐Linked Covalent Organic Frameworks as Highly Sensitive and Selective Sensor for the Hydrazine Detection
Authors: Liu Longjin , Wei Dongxue , Liang Hao , Zhang Yuwei , Zhang Xueyan , Zhi Yongfeng
Published: October 2024

Covalent Organic Frameworks (COFs) exhibit a range of exceptional attributes, including notable porosity, outstanding stability, and a precisely tuned π‐conjugated network, rendering them highly promising candidates for fluorescence sensors applications. In this study, the synthesis of two emissive hydrazone‐linked COFs designed for hydrazine detection is presented. The partially conjugated structure of the hydrazone linkage effectively weakens the fluorescence quenching processes induced by aggregation. Additionally, the incorporation of flexible structural components further reduces conjugation, thereby enhancing luminescent efficiency. Remarkably, these COFs possess a significant abundance of heteroatoms, enabling distinctive interactions with hydrazine molecules, which in turn results in exceptional selectivity and sensitivity for hydrazine detection. The detection limit of these COFs reaches the nanomolar range, surpassing all previously reported COFs, thereby underscoring their superior performance in chemical sensing applications.
Optimization of oak sawing parameters based on energy consumption and surface roughness
Authors: Hao Z. , Zhang F. , Li X. , Wang Y. , Zhang T. , Guo X.
Published: October 2024

High energy consumption and poor processing quality are common problems in wood sawing. To address these issues, in this article, specific cutting energy and surface roughness were investigated with saw blade speed as control variables. Analysing the effect of parameters on specific cutting energy and surface roughness. The sawing parameters were optimised with the objectives of minimum specific cutting energy and minimum surface roughness. The findings indicate that specific cutting energy and surface roughness reduction with increasing rake angle; specific cutting energy and surface roughness decrease with increasing spindle speed; specific cutting energy decreases and surface roughness increases with increasing feed rate. ANOVA analysis reveals that sawing speed (n) has the most significant impact on specific cutting energy during oak cutting. The optimal solution derived from TOPSIS suggests a specific cutting energy of 2E7 J/m3 and a surface roughness of 1.758 μm. The innovation of this paper is the study of the specific cutting energy and the optimisation of parameters. These findings provide valuable theoretical and practical guidance for enhancing the efficiency and quality of oak processing while minimizing energy consumption.
Accelerating spin Hall conductivity predictions via machine learning
Authors: Zhao Jinbin , Lai Junwen , Wang Jiantao , Zhang Yi‐Chi , Li Junlin , Chen Xing‐Qiu , Liu Peitao
Published: October 2024

Accurately predicting the spin Hall conductivity (SHC) is crucial for designing novel spintronic devices that leverage the spin Hall effect. First‐principles calculations of SHCs are computationally intensive and unsuitable for quick high‐throughput screening. Here, we have developed a residual crystal graph convolutional neural network (Res‐CGCNN) deep learning model to classify and predict SHCs solely based on the structural and compositional information. This is enabled by having access to 9249 instances of SHCs data and incorporating extra residual networks into the standard CGCNN framework. We found that Res‐CGCNN surpasses CGCNN, achieving a mean absolute error of 115.4 (ℏ/e) (S/cm) for regression and an area under the receiver operating characteristic curve of 0.86 for classification. Additionally, we utilized Res‐CGCNN to conduct high‐throughput screenings of materials in the Materials Project database that were absent in the training set. This led to the prediction of several previously unreported materials displaying large SHCs exceeding 1000 (ℏ/e) (S/cm), which were validated through first‐principles calculations. This study represents the inaugural endeavor to construct a machine learning model capable of effectively capturing the intricate nonlinear relationship between SHCs and crystal structure and composition, serving as a useful tool for the efficient screening and design of materials exhibiting high SHCs.
Tunable bandpass frequency selective surface with wideband tuning and low insertion loss based on tunneling waveguide array
Authors: Zhong Shuomin , Lai Peining , Hua Changzhou , Liu Taijun , Huang Jifu
Published: October 2024

In this paper, we present a tunable bandpass frequency‐selective surface (FSS) with wide tuning range. The FSS consists of a metallic rectangular waveguide array integrated into the double‐sided printed circuit board (DSPCB) and an array of embedded varactors with a bias network on the backside of the DSPCB. The waveguide array exhibits a frequency‐selective transmission peak due to the tunneling effect, and the transmission frequency can be adjusted by modifying the capacitance of varactors using different bias voltages. One benefit of this setup is that the varactors, along with the bias network, are situated on the same layer, resulting in a significant reduction in overall thickness to just 0.006λc (where λc represents the free‐space wavelength at the highest transmission frequency). Additionally, the insertion loss related to the parasitic resistance of varactors is notably reduced due to the innovative integrated design of biasing lines with varactors and the nearly full‐metal waveguide array. A prototype has been manufactured and tested, demonstrating that by varying the varactor capacitance from 0.12 to 1 pF, the passband showcases a frequency tuning range of 2.32:1, spanning from 5.8 to 2.5 GHz with an insertion loss ranging from 0.2 to 2.6 dB.
Isolation improvement between two tightly coupled QMSIW MIMO antenna elements using spoof surface plasmon polariton structure
Authors: Kumari Priya , Das Sushrut
Published: October 2024

A spoof surface plasmon polariton superstrate structure‐based decoupling method is proposed in this paper to reduce mutual coupling between two tightly coupled quarter‐mode substrate integrated waveguide antenna elements. This superstrate is a periodic structure suspended over the antenna elements with an inter‐element spacing of 0.02 λ0 (1 mm) at 6 GHz. It has been demonstrated that the isolation can be improved from 6.5 dB to more than 39 dB within the operation band in measurement. Further, it has been shown that the proposed method can improve both the total efficiency (by 25%) and gain (1.4 dBi) of the multiple‐input multiple‐output antenna.
Improved heterogeneity handling in the collapsed cone dose engine for brachytherapy
Authors: Alpsten Freja , van Veelen Bob , Valdes‐Cortez Christian , Berumen Francisco , Ahnesjö Anders , Carlsson Tedgren Åsa
Published: October 2024

Background

Model‐based dose calculation algorithms (MBDCA), such as the Advanced Collapsed cone Engine (ACE) in Oncentra Brachy® can be used to overcome the limitations of the TG‐43 formalism. ACE is a point kernel superposition algorithm that calculates the total dose separated into primary, first‐scatter, and multiple‐scatter dose. Albeit ACE yields accurate results under most circumstances, several studies have reported underestimations of the dose to cortical bone. These underestimations are likely caused by approximations in the handling of multiple‐scatter dose for non‐water media. Such would result in noticeable deviations where the multiple‐scatter is a considerable fraction of the total dose, that is, at greater distances from the source.

Purpose

To improve and test the accuracy of the multiple‐scatter dose component in the ACE algorithm to remedy its inaccuracy for non‐water geometries.

Methods

A careful analysis of the transport and absorption of the multiple‐scatter energy fluence revealed an inconsistency in the scaling of energy absorption ratios for non‐water media of the multiple‐scatter kernel. We implemented an updated algorithm version, ACEcorr, and tested it for three different geometries. All had a single 192Ir‐source at the center of a cubic water phantom with a box‐shaped heterogeneity of either cortical bone or air, positioned at different distances from the source. Dose distributions for the three cases were calculated with ACE and ACEcorr and compared to Monte Carlo simulations, using the percentage dose difference ratio as figure‐of‐merit. All dose calculation methods scored separately the dose deposited by primary, first‐scattered, and multiple‐scattered photons.

Results

The accuracy of the updated algorithm ACEcorr was superior to ACE. In the cortical bone heterogeneity, the mean percentage dose difference ratio for the total dose improved from to (in the worst case) by our update. Less impact was seen in the air heterogeneity, where both ACE and ACEcorr deviated less than 2% from the Monte Carlo results. The algorithm update mainly concerns the multiple‐scattered dose component, but an accompanying data processing update also had a small effect (0.5% difference) on the primary and first‐scattered dose. The calculation times were not affected.

Conclusions

The updates to ACE improved the accuracy of multiple‐scatter dose calculation for non‐water media, without increasing calculation times.
The spatial and seasonal patterns and stability of the Lake Whitefish fishery in Michigan waters of southern Lake Huron
Authors: He Ji X. , Goniea Thoms M. , Bence James R. , Wills Todd C. , Herbst Seth J. , Briggs Andrew S. , Fielder David G.
Published: October 2024

Objective

Given that the harvested fish from five separate fishing grounds belong to one large mixed population, our objective is to develop an overall abundance index for Lake Whitefish Coregonus clupeaformis in Michigan waters of southern Lake Huron.

Methods

We analyzed catch-and-effort data for individual fishing trips to five separate fishing grounds and used Bayesian information criterion to select the best model struture.

Result

The best model included the year × area × month interaction as a random effect, representing the random component in fishery dynamics that were influenced by both fishing practices and fish abundance. The best model also included the fixed effects of area × month interaction, a result consistent with our hypothesis that the seasonal spatial migrations of Lake Whitefish provide the links among the fisheries in separate fishing grounds, and the fishery yields from these separate areas were all dependent on the production in southern Lake Huron as a whole. After adjusting for the random effect of year × area × month interaction and the fixed effects of area × month interaction, the estimated patterns for the fixed year effect indicated that the Lake Whitefish abundance in Michigan waters of southern Lake Huron declined during the late 2000s but has been relatively constant after 2012.

Conclusion

The declines in annual fishery yield were due to and could be explained more by the decreases in fish abundance through 2012 but thereafter primarily reflected the declines in annual fishing effort as the fisheries continued to adjust to the changed fishing conditions. We also provided general lessons for studying fisheries without fishery independent surveys but with detailed seasonal and spatial catch-and-effort data.
Screening, identification, and diagnosis of malnutrition in hospitalized patients with solid tumors: A retrospective cohort study
Authors: Aktas Aynur , Walsh Declan , Boselli Danielle , Finch Lenna , Wallander Michelle L. , Kadakia Kunal C.
Published: October 2024

Background

Malnutrition is common in hospitalized patients with cancer and adversely affects clinical outcomes. We evaluated the prevalence of malnutrition risk, dietitian‐identified malnutrition (DIMN), and physician‐diagnosed malnutrition (PDMN) at admission.

Methods

This retrospective study included adults diagnosed with a stage I–IV solid tumor malignancy and admitted to Atrium Health Carolinas Medical Center from January 2016 to May 2019. Malnutrition risk was determined by a score ≥2 on the Malnutrition Screening Tool (MST) administered by a registered nurse during the intake process. Registered dietitian nutritionist (RDN) assessments were reviewed for DIMN and grade (mild, moderate, or severe). PDMN included malnutrition International Classification of Diseases, Tenth Revision codes in the discharge summary. Univariate models were estimated; multivariate logistic regression models identified associations between clinicodemographic factors and malnutrition prevalence with stepwise selection.

Results

A total of 5143 patients were included. Median age was 63 (range 18–102) years, 48% were female, 70% were White, and 24% were Black. Upper gastrointestinal (21%), thoracic (18%), and genitourinary (18%) cancers were most common. A total of 28% had stage IV disease. MST scores were available for 4085 (79%); 1005 of 4085 (25%) were at malnutrition risk. Eleven percent (n = 557) had malnutrition coded by a physician or documented by an RDN; 4% (n = 223) of these were identified by both clinicians, 4% (n = 197) by RDNs only, and 3% (n = 137) by physicians only.

Conclusion

Malnutrition appears to be underdiagnosed by both RDNs and physicians. Underdiagnosis of malnutrition may have significant clinical, operational, and financial implications in cancer care.
Unveiling the functions of the Lim‐domain binding protein MaPtaB in Metarhizium acridum
Authors: Du Yanru , Hu Meiwen , Xia Yuxian , Jin Kai
Published: October 2024

BACKGROUND

The Lim‐domain binding protein PtaB, a homolog of Mfg1, governs conidiation and biofilm formation in several fungi. PtaB includes a conserved Lim‐binding domain and two predicted nuclear localization sequences at its C terminus, and is co‐regulated with the transcription factor Som1 downstream of the cyclic AMP‐dependent protein kinase A (cAMP/PKA) pathway. However, the function of PtaB in entomopathogenic fungi remain poorly understood.

RESULTS

Inactivation of PtaB in Metarhizium acridum resulted in delayed conidial germination, reduced conidial yield and increased sensitivities to cell wall disruptors, ultraviolet B irradiation and heat shock. In addition, the fungal virulence was significantly decreased after deletion of MaPtaB because of impairments in appressorium formation, cuticle penetration and evasion of insect immune responses in M. acridum. The MaPtaB‐deletion and MaSom1‐deletion strains showed similar phenotypes supporting that MaSom1/MaPtaB complex controls M. acridum normal conidiation and pathogenic progress. Upon loss of MaPtaB or MaSom1, the fungal sporulation mode in M. acridium shifted from microcycle conidiation to normal conidiation on SYA, a microcycle conidiation medium. Transcriptional analysis showed that more differentially expression genes were identified in MaSom1 RNA sequencing, and MaSom1 and MaPtaB may regulate the expression of genes for conidiation, nutrient metabolism and the cell cycle to control conidiation pattern shift.

CONCLUSION

These data corroborate a complex control function for MaPtaB as an important central factor interacting with MaSom1 in the cAMP/PKA pathway, which links stress tolerance, conidiation and virulence in the entomopathogenic fungus M. acridum. © 2024 Society of Chemical Industry.
Establishment of Theoretically Guided Understanding for Magneto‐Optical Interactions through Ferromagnetic Fluids in Uniform, Static Magnetic Field
Authors: Aboqara Noha S. , Morshed Ahmed Hisham E. , Sabry Yasser M.
Published: October 2024

Prior magneto‐optical transmission models through ferrofluids are limited by oversimplifications which hinder accuracy and generalizability. To overcome this challenge, this study models the magnetic field effect on the magneto‐optical transmission through hematite ferrofluid using the method of invariant embedding. Optical coherence tomography (OCT) is used to extract the changes in the refractive index, enabling a discovery of a magnetodielectric effect for the hematite ferrofluid. To establish a basis for control and understanding, the influence of the magnetic field on the spatial transmission profile at different wavelengths, optical propagation lengths, and the effect of variation of each size parameter on the optical transmission have been investigated. Further parametric studies allowed finding out an analogy to nonuniform, cascade, volume holographic diffraction gratings, which is crucial for a wide range of optical and bioimaging applications. Compared to the experimental results, the presented model achieves 99% accuracy over the wavelength range (300–1100) nm under uniform static magnetic field (0–6.5) mT. Besides, the conspicuous lead of evidentiary understanding of magneto‐optical interactions with magnetic fluids, the structural milestones of the model can be further utilized to model similar challenging constructs in complex media. The innumerable applications of study extend to involve communication engineering, biomedical, optical, and security applications.
Investigation on the Surface Properties of Annealed Copper Selenide Thin Films with Various Compositional Ratios
Authors: Lee Jihyeon , Kim Donghyun , Park Juyun , Kang Jisoo , Kehayias Christopher E. , Johnson Alan T. Charlie , Kang Yong‐Cheol
Published: October 2024

Copper‐based metal chalcogenides are versatile materials used for a variety of electronic devices, yet realizing the full scope of copper‐based composite materials is hindered by limited understanding of their chemical properties. In this work, copper selenide thin films (TFs) are fabricated using radio frequency (RF) magnetron co‐sputtering to investigate the effects of composition and annealing temperature on the films. The surface composition of the TFs is examined using energy dispersive X‐Ray spectroscopy (EDS) and X‐Ray photoelectron spectroscopy (XPS). In the unannealed films, an increase in Se composition leads to smaller grain sizes and smoother surfaces. The influence of higher Se content on the dispersive surface free energy (SFE) is shown through contact angle measurements. Work functions (WFs), determined by Kelvin probe (KP) and ultraviolet photoelectron spectroscopy (UPS), rose with increasing Se content. After annealing, the TFs exhibited opposite trends. As the films transitioned from an amorphous to a crystalline phase due to annealing, their roughness significantly increased.
Investigation of the Effects of Cu and Fe/Cu Doping on ZnO Nanoparticles for Application as a Solid Electrolyte Battery
Authors: Taka Gem , Das Tushar Dhabal
Published: October 2024

In this work, investigation is done on the effect of doping with copper (Cu) and iron/copper (Fe/Cu) on zinc oxide (ZnO) nanomaterials synthesized through a cost‐effective wet chemical precipitation method for application as a solid‐state electrolyte battery. The scanning electron microscope with energy dispersive X‐ray spectroscopy is used to investigate the morphology and elements presence in Cu and Fe/Cu‐doped ZnO nanoparticles. The X‐ray diffraction data illustrates that the crystallite sizes of pure ZnO, Cu–ZnO, and Fe/Cu–ZnO nanoparticles are 14.86, 13.35, and 10.66 nm, respectively, at the (101) plan calculated by Debye Scherrer's formula. The UV‐Vis absorption spectrum shows that the band gap energies of ZnO, Cu–ZnO, Fe–ZnO, and Fe/Cu–ZnO nanoparticles are identified as 3.382, 3.690, 3.5, and 3.465 eV, respectively. The electrical characterization revealed maximum impedance in Fe/Cu–ZnO nanoparticles with 400 Ω at 1 KHz frequency in comparison to other samples. The current–voltage (I–V) measurement shows that the current sensitivity and electrical conductivity are both enhanced for Fe/Cu–ZnO nanoparticles. Fe and Cu co‐doping improved the electrical characteristics of ZnO, and the Fe/Cu–ZnO nanoparticles are employed as a solid electrolyte in a battery, which achieved a high specific charge capacity of 657.85 mAh g−1.
Electrospinning as a Method for Fabrication of Nanofibrous Photocatalysts Based on Gallium Oxide
Authors: Snetkov Petr P. , Morozkina Svetlana N. , Sosnin Ilya M. , Bauman Dmitrii A. , Hussainova Irina , Romanov Alexey E.
Published: October 2024

Photocatalysts are currently widely used in various research and industrial fields, from water and air purification to solar energy, from self‐cleaning surfaces to wearable biosensors and electronic devices. Among semiconductors, the growing interest is attracted to gallium oxide, especially β‐Ga2O3, due to the unique physical, chemical (especially acid‐resistance), physical–chemical, photochemical properties, and redox potential. These photocatalysts can be used not only as suspended mixture, but also in the form of films, nanoparticles, and nanofibers. The last one is more challenging due to the high level of surface‐to‐volume ratio, porousness, air and water permeability, and excellent morphological and physical–mechanical properties. Moreover, electrospinning techniques, in comparison with fabrication of nanoparticles, allow to obtain photocatalytic devices without usage of additional carrying base, which simplify the industrial process. However, to date there are limited publications related to the Ga2O3 electrospun nanofibers. The aim of this review is to summarize current results of gallium oxide electrospun nanofibers preparation. Special attention is given to the technological parameters of the electrospinning, the polymer solution receipts, and the properties of such nanomaterials and its potential application. Despite the limited number of publications related to Ga2O3 fibers fabrications, that data collected in this review article demonstrate great potential for practical applications.
X‐Ray Absorption and X‐Ray Emission Spectroscopy Study of a Molybdenum Disulfide Anode in a Sodium‐Ion Half‐Cell
Authors: Bulusheva Lyubov G. , Zaguzina Alena A. , Fedorenko Anastasiya D. , Semushkina Galina I. , Gusel'nikov Artem V. , Shubin Yury V. , Nikolenko Anton D. , Okotrub Alexander V.
Published: October 2024

The development of efficient anodes for sodium‐ion batteries requires a deep understanding of the electrochemical processes involved. Herein, X‐ray spectroscopy is used to study changes in the electronic structure of MoS2 nanosheets coupled with few‐layered graphene at early stages of battery life. Working electrode is combined with a sodium plate and a solution of NaClO4 in ethyl carbonate/dimethyl carbonate in a homemade cell having an X‐ray transparent window. X‐ray absorption spectra at the S K‐edge and Mo L3‐edge are recorded using a synchrotron source, X‐ray emission S Kα and Mo Lα spectra are obtained on a laboratory spectrometer for initial powder and electrode material at different potentials of the cell. Analysis of the spectra shows the occupation of the initially empty orbitals of MoS2 by sodium electrons as a result of the interaction of the components of the sodium‐ion half‐cell. Ex situ X‐ray photoelectron spectroscopy measurements of a fully discharged electrode material reveal partial transformation of hexagonal MoS2 to disordered tetragonal MoS2 coated with a surface electrolyte interphase layer. The obtained results indicate that coupling MoS2 to graphene prevents the breaking of Mo–S bonds when Na+ ions are first introduced, which may promote stable battery performance.
A Collision‐Free Pursuit‐Evasion Framework for Indirect Herding and Formation Control of Noncooperative UAVs
Authors: Zhang Ye , Zhu Yutong , Tan Minghu , Wang Jingyu
Published: October 2024

In this article, we aim to design a general framework for the pursuit‐evasion (PE) game of multiple UAVs. Based on the distance between the pursuers and the evader, the whole pursuit‐evasion process is decoupled into a seeking stage and a herding stage. A formation control method is proposed to make sure that the pursuers can find and drive the noncooperative evaders along a desired trajectory towards the designated target while maintaining a preset formation. In the meantime, an adaptive potential function is designed to achieve collision avoidance to both obstacles and other agents in the formation. The main contribution is that it combines formation control and collision avoidance in the problem of indirect herding, which is rarely addressed before. Also, the convergence and effectiveness of the designed controller for trajectory tracking and formation maintenance are proven and verified in the article. Simulation results in two and three dimensional space show that the proposed framework achieves the goal of coordinated herding and collision avoidance in a pursuit‐evasion scenario under uncertainties and external disturbances.
Green choices and brand happiness: A recipe for brand evangelism
Authors: Khandai Sujata , Kataria Sonia , Kohli Harpuneet Singh , Yadav Renu , Mathew Jones
Published: October 2024

To date, research has predominantly focused on identifying the antecedents of sustainable consumption, but little work has been done to understand the impact of the consumption of sustainable brands on consumer emotions and behaviours thereof and how it varies across generations. This study attempts to analyse the relationship between consumption of sustainable brands and brand happiness, and the likelihood of it resulting in brand evangelism. We used the mall intercept method to collect responses from 564 respondents. We used structural equation modelling (SEM) to verify the research model and hypotheses and Hayes Process macro to test mediation and moderation impact. The study concludes that the consumption of sustainable brands triggers a positive emotional response in the consumer by evoking a feeling of happiness, which leads them to evangelise the brand. Thus, evangelists disseminate positive word of mouth and repurchase the brand, as well as engage in oppositional brand referrals to strengthen their relationship with the brand. The study further confirms the moderating role of generation cohorts in the relationship between brand happiness and brand evangelism. Gen Z is more likely to be an evangelist for sustainable brands as compared to other cohorts. The results corroborate with the self‐perception theory, which has been used as a theoretical base. In addition, managers should prioritise sustainability as a driver of brand happiness to effectively engage consumers, especially Generation Z, while aligning marketing strategies for consumer behaviour.
Why are some nations more entrepreneurial than others? Investigating the link between cultural tightness–looseness and rates of new firm formation
Authors: Assenova Valentina A. , Amit Raphael
Published: October 2024

Research Summary

We evaluate the role of cultural tightness–looseness as an explanation for cross‐cultural variation in new firm formation rates. Modeling cultural tightness–looseness as an antecedent for individual entrepreneurial dispositions and informal institutions, we examine its impact on the number of new limited‐liability companies registered per 1000 people and the rate of new entrepreneurs in the working‐age population. Our findings show that cultural tightness–looseness explains 56% of the variation in new firm formation rates in a sample of 156 nations, and 71% of the variation in the rate of new entrepreneurs in the 50 US states, with greater cultural looseness corresponding to higher rates of entrepreneurship, on average. This effect is robust to various model specifications, measures, and controls for other cultural dimensions.

Managerial Summary

Our study examines how cultural tightness–looseness impacts new firm formation rates across nations and US states. We find that cultural looseness, characterized by flexible social norms, significantly influences entrepreneurial activity. Specifically, it explains 56% of the variation in new firm formation rates across 156 nations and 71% of the variation in new entrepreneur rates in the 50 US states. Nations and states with looser cultures tend to have higher rates of entrepreneurship. These findings are robust across different model specifications, measures, and control variables. Managers and policymakers should consider the strength and enforcement of social norms as factors in fostering new firm formation.
Evaluation of β‐ and γ‐Cyclodextrins as Promising Bisoprolol Drug Carriers: Docking, Molecular Dynamics and MM‐PBSA1 Free‐Energy Calculations*
Authors: Fazli Mostafa , Boorboor Mohammad Reza , Mahdavifar Zabiollah , Bagheri Ahmad
Published: October 2024

In this research work, the binding mechanism of Bisoprolol (BIS) drug into the beta‐cyclodextrin (β‐CD) and gamma‐cyclodextrin (γ‐CD) nanopores were investigated using docking, molecular dynamics (MD) simulations, and MM‐PBSA free energy calculations. Also, we assessed the energetic aspects within the BIS‐CDs complex under different thermal conditions in four stages from 298 to 334 K, which includes mammalian body temperature in order to approximate physiological conditions. The computational results reveal that the encapsulation of the BIS into the cavities of CDs is reinforced by hydrogen bonds (HBs) and van der Waals (vdW) interactions in the aqueous phase. The stability of the inclusion complexes of β and γ‐CD with BIS was confirmed by evaluating system stability, flexibility, dynamic and thermodynamic properties at all temperature steps. Next, we analyzed the degree of complexation between BIS and CDs at four different temperatures. The findings revealed that the degree of complexation is decreased as the temperature is increased. The translational movement of the drug to the outside of the CDs cavity increased in the temperature range of 310 to 334 K in γ‐CD more than β‐CD. The β‐CD complex exhibits greater stability compared to the γ‐CD complex in the aqueous medium. The MM‐PBSA free energy approach also confirms more binding affinity of BIS drug into the β‐CD cavity. keywords: Bisoprolol, β‐cyclodextrin, γ‐cyclodextrin, Molecular dynamics, MM‐PBSA free energy.
Exploring the Anticancer Potential of Triazine Derivatives: An Outlook of Designing Strategies, Docking Studies, and Structure‐Activity Relationships (SAR)
Authors: Manjushree B. V. , Matada Gurubasavaraja Swamy Purawarga , Pal Rohit , Sk Md. Ashadul , Viji M. P. , Aishwarya Nimmagadda Venkata Satya Sai , Das Pronoy Kanti , Aayishamma I. , Mounika S.
Published: October 2024

Cancer is a disease characterized by uncontrolled cell growth resulting from genetic and epigenetic changes accumulating within a cancer cell population. Despite the milestone discovery of chemotherapeutic drugs against cancer, cancer remains tough to cure. Therefore, cancer has the second‐highest global death rate. There are certain factors such as genetic mutation, cancer cell diversity, metastasis, and resistance, which limit chemotherapy. To combat cancer, it's crucial to find novel therapeutic tactics and produce novel drugs that target cancer cells without affecting healthy cells. Heterocyclic compounds influence certain molecular targets to find novel lead structures can be a noteworthy strategy for the development of potential anticancer agents. Triazine, a low‐cost and widely available heterocyclic scaffold, has piqued researchers’ interest in developing innovative designing strategies. This review presents the advancement of three different isomers of triazines as anticancer agents. The main focus of this review is to provide the advancement of designing strategies, structure‐activity relationships, and docking studies of triazine derivatives as anticancer agents the available triazine‐containing drugs, and the status of clinical trials of triazine‐containing drugs were also highlighted. Lastly, we have also concluded the most potent derivatives and their hybridization with another ring to justify the particular anticancer activity.
Microblog‐Assisted Synthesis of Schiff Base Network Polymers for SO2/Epoxide Copolymerization and Thermal Degradation Kinetics of the Products
Authors: Wang Wenyu , Wang Shouhong , Xu Juan , Yang Huigui , Liu Yi , Li Mengrui , Zhi Yunfei
Published: October 2024

This study successfully prepared three environmentally friendly Schiff base network (SNW) polymers, SNW‐1, SNW‐2, and SNW‐3, using melamine and aldehyde compounds as raw materials through a microwave‐assisted synthesis method. The SNW materials were applied to catalyze the copolymerization reaction of SO2 and epoxides. Through detailed analysis of the chemical structure and properties of SNW‐1, SNW‐2, and SNW‐3, their catalytic efficiency was thoroughly investigated. Three thermal degradation kinetic models, Flynn–Wall–Ozawa (FWO), Kissinger, and Coats–Redfern, were employed to calculate the kinetic parameters of the thermal degradation of poly(cyclohexene sulfite) (PCS). Potential thermal degradation mechanisms were speculated. Additionally, the Kissinger model accurately described the thermal degradation kinetics features of PCS. Based on experimental results and kinetic analysis, this paper elucidates the potential mechanism of the copolymerization reaction of SO2 and epoxides. The study indicates that microwave‐assisted synthesis exhibits convenience and high efficiency in preparing efficient catalysts, demonstrating significant potential across various application domains.
Sodium Copper Chlorophyllin: A Sustainable Bioinspired Catalyst for the Aerobic Oxidative Synthesis of Nitrogen Heterocycles and the Oxidative Cyanation of Tertiary Amines
Authors: Pawar Shweta A. , Gije Sanket , Kalantre Chinmay , Dalvi V. H. , Vijay Kumar A.
Published: October 2024

A remarkably simple and straightforward protocol has been reported showcasing sodium copper chlorophyllin (SCC) as an eco‐friendly, bioinspired catalyst for the aerobic oxidative synthesis of pharmaceutically prevalent nitrogen‐containing heterocycles, such as benzimidazoles and quinoxalines. This reaction was performed in green solvent water, using the green oxidant, molecular oxygen. SCC displayed exceptional efficiency, congruent with the prevailing metal/non‐metal‐based catalyst regime without requiring additives. The SCC catalyst exhibited excellent recyclability upto three cycles for the benzimidazole synthesis reaction. This benign strategy was successfully applied in synthesizing a bioactive quinoxaline i. e., Tyrphostin AG1296, a promising candidate for melanoma treatment. The catalytic activity of SCC was explored for the synthesis of another privileged moiety i. e., α‐aminonitriles, via the α‐cyanation of tertiary amines under oxidative conditions. This reaction progressed with a mild, easy‐to‐use, convenient cyanide source, such as ethyl cyanoformate, and a green and attractive solvent, such as methanol, precluding acidic media. SCC catalyst was efficiently recycled upto three cycles for the α‐aminonitriles synthesis. Overall, the utility of a biodegradable, robust catalyst such as SCC, eco‐friendly solvents such as water and methanol, green oxidants such as O2, and mild reaction conditions, devoid of acidic additives, renders the present work viable for academic and industrial research.
A Highly Selective Fluorescent “Turn on” Probe for Al3+ Based on Pyrazolone
Authors: Zhang Heming , Lu Fengyuan , Kong Qingrong , Che Yuanyuan , Li Xiaojuan
Published: October 2024

A highly selective fluorescent “turn on” probe for Al3+ based on the conjugate of aminourea and pyrazolone was devised and synthesized. The fluorescence intensity of the probe solution was significantly enhanced by the addition of Al3+ to the probe solution. Other cations such as Cu2+, Ni2+, Fe3+, Co2+, Ag+, Mn2+, Sn2+, Sn4+, Mg2+, Li+, Zn2+, Zr4+, Ce3+, Ca2+, and Na+ did not interfere the detection of Al3+. The 1 : 1 complexation between Al3+ and the probe was confirmed by Job's plot curve. In addition, the solution of the complex formed by Al3+ and the probe can be used for the specific detection of Hg2+, appearing as fluorescence quenching.
Application of Polymers as Drug Nanocarriers in the Oral Treatment of Ulcerative Colitis
Authors: Liu Xiaoqing , Huang Lianghui , Wu Enguang , Wei Zongyi , Wang Jin , Chen Zhenhua
Published: October 2024

Ulcerative colitis (UC) is a chronic non‐specific inflammatory disease of the intestines with a high prevalence. Polymer‐prepared nanoparticles are well‐targeted, highly biocompatible, and have high potential for personalized therapy. Polymer nanoparticles are able to achieve localized therapy through their unique design. First, this review compares the advantages and disadvantages of natural and synthetic polymeric materials as well as describes the application of polymeric nanoparticles in UC therapy. Then, the preparation, characterization methods, and current challenges of common polymer nanoparticles are presented. Next, one‐by‐one examples of polymer nanoparticle‐targeted drug delivery strategies for the treatment of UC are presented. In addition, polymer nanoparticle‐based therapeutic approaches for UC, including anti‐inflammatory therapies, reactive oxygen species scavenging therapies, and intestinal flora modulation therapies, are presented. Finally, future research directions for polymer nanoparticles in UC therapy are discussed and current challenges are identified. The aim of this paper is to provide valuable references and guidance for researchers to design and develop novel UC therapies.
Selective C6‐Nitration of Benzothiazolones with Iron Nitrate
Authors: Chen Li , Li Tianhao , Wang Wanqiang , Liu Yan , Liu Ping
Published: October 2024

We report here a selective C6‐nitration of benzothiazolones in the presence of iron nitrate as nitro source. A series of novel 6‐nitrobenzothiazolin‐2‐one derivatives were prepared with moderate to excellent yields at room temperature. The method shows good regioselectivity, broad substrate scope and excellent compatibility with functional groups. Further transformations were performed for the reduction of nitro groups, amination of carbonyl groups and alkylation of amine at the 3‐position in the product.
Electrospinning of Sodium Alginate/Copper Oxide Nanofibrous Composite Membrane and Its Application of Cationic Dye Adsorption
Authors: Gao Jinghang , Wang Xuejun , Lou Tao
Published: October 2024

Dye wastewater is becoming one of the most significant sources of water pollution, and its impact on human survival is immeasurable. In this study, we successfully synthesized a nanofiber membrane with environmentally friendly and efficient properties using electrospinning of a mixture of sodium alginate (SA) and copper oxide (CuO) nanoparticles, aimed at effective dye removal. The adsorption performance of the SA/CuO nanofiber membrane was evaluated using the cationic dye methylene blue (MB). The maximum adsorption capacity of the nanofiber membrane was increased significantly with the addition of CuO nanoparticles, reaching a maximum value of 1633.4 mg g−1, almost twice as much as that of pure SA membrane. The adsorption kinetics follows the pseudo‐second‐order model, where chemisorption acts as the rate‐limiting step. The adsorption isotherm data indicate that the adsorption is monolayer. The nanofibrous membranes showed better dye removal under an alkaline environment. After four cycles of adsorption/desorption, the MB removal efficiency remained at 70.1% of the original adsorption capacity. The addition of CuO nanoparticles facilitated the adsorption of MB dyes, while the form of the nanofibrous membrane is easily recoverable and reusable. Therefore, the as‐prepared SA/CuO nanofibrous composite membrane is a potentially favorable adsorbent material for wastewater treatment applications.
Integration of Consensus‐Based Pharmacophore Mapping and Molecular Docking in Sequential Virtual Screening: Toward the Discovery of Novel PI3Kγ Inhibitors
Authors: Yu Xiaolian , Yuan Shiru , Jia Lei , Cai Yanfei , Chen Yun , Jin Jian , Xu Lei , Yu Li , Zhu Jingyu
Published: October 2024

Numerous research studies have demonstrated the significant correlation of phosphatidylinositol‐3 kinase gamma (PI3Kγ) with the onset and progression of various human diseases, highlighting PI3Kγ as a promising therapeutic target. However, PI3Kγ demonstrates considerable similarity with other isoforms in the PI3K family, presenting significant challenges in the creation of PI3Kγ inhibitors. This study presents an ensemble‐based virtual screening approach to discover novel inhibitors targeting PI3Kγ. Eganelisib (IPI‐549) is the sole selective PI3Kγ inhibitor that has progressed to clinical trials, making it a significant model for the advancement of novel PI3Kγ inhibitors. Initially, common feature pharmacophore and receptor–ligand pharmacophore models were independently developed using IPI‐549 and its potent derivatives, in conjunction with the crystal complex of PI3Kγ/IPI‐549. Both qualitative pharmacophore models proved highly effective at distinguishing between active and inactive compounds. Then, four widely utilized docking programs were chosen for assessment, where the Glide_SP mode demonstrated superior predictive accuracy in sampling ligand conformations during binding, effectively distinguishing between PI3Kγ inhibitors and noninhibitors. Finally, a virtual screening protocol was conducted to screen the ChEMBL database, utilizing similarity search, consensus‐based pharmacophore mapping, and sequential molecular docking. This process resulted in the identification of multiple molecules exhibiting notable promise as potent PI3Kγ inhibitors.