bluuebunny/crossref_metadata_2025 huggingface dataset:
Photoacoustic Imaging Sensors Based on Integrated Photonics: Challenges and Trends
Authors: Bao Kangjian , Yang Xi , Sun Chunlei , Rong Guoguang , Tian Chao , Shi Junhui , Sawan Mohamad , Li Lan
Published: September 2024

Ultrasound and photoacoustic imaging are important imaging modalities with significant applications in clinical diagnosis and biomedical research. However, current capacitive and piezoelectric ultrasound detectors face challenges related to sensitivity and bandwidth, particularly at higher frequencies. These challenges can hinder their ability to achieve high spatial resolution and deep penetration for imaging purposes. Optical ultrasound sensors offer high sensitivity and show great potential for developing ultrasound/photoacoustic imaging systems. Among all methods of optical ultrasound detection, integrated photonics, with its superior advantages in miniaturization, sensitivity, and integration capability with electronics, could be next‐generation photoacoustic/ultrasound imaging technology. This review explores the device structure designs and applications of ultrasound/photoacoustic sensing based on integrated photonics, analyzes their performance metrics as ultrasound detectors, and discusses some perspectives on future developments and trends in this field.
Rational approximation of golden angles: Accelerated reconstructions for radial MRI
Authors: Scholand Nick , Schaten Philip , Graf Christina , Mackner Daniel , Holme H. Christian M. , Blumenthal Moritz , Mao Andrew , Assländer Jakob , Uecker Martin
Published: September 2024

Purpose

To develop a generic radial sampling scheme that combines the advantages of golden ratio sampling with simplicity of equidistant angular patterns. The irrational angle between consecutive spokes in golden ratio‐based sampling schemes enables a flexible retrospective choice of temporal resolution, while preserving good coverage of k‐space for each individual bin. Nevertheless, irrational increments prohibit precomputation of the point‐spread function (PSF), can lead to numerical problems, and require more complex processing steps. To avoid these problems, a new sampling scheme based on a rational approximation of golden angles (RAGA) is developed.

Methods

The theoretical properties of RAGA sampling are mathematically derived. Sidelobe‐to‐peak ratios (SPR) are numerically computed and compared to the corresponding golden ratio sampling schemes. The sampling scheme is implemented in the BART toolbox and in a radial gradient‐echo sequence. Feasibility is shown for quantitative imaging in a phantom and a cardiac scan of a healthy volunteer.

Results

RAGA sampling can accurately approximate golden ratio sampling and has almost identical PSF and SPR. In contrast to golden ratio sampling, each frame can be reconstructed with the same equidistant trajectory using different sampling masks, and the angle of each acquired spoke can be encoded as a small index, which simplifies processing of the acquired data.

Conclusion

RAGA sampling provides the advantages of golden ratio sampling while simplifying data processing, rendering it a valuable tool for dynamic and quantitative MRI.
Ultrasound assisted versus landmark based intrathecal administration of nusinersen in adults with spinal muscular atrophy disease: A randomized trial
Authors: Zanfini Bruno Antonio , Catarci Stefano , Patanella Agata Katia , Vassalli Francesco , Frassanito Luciano , Pane Marika , Biancone Matteo , Di Muro Mariangela , Rizzi Eleonora , Mercuri Eugenio Maria , Sabatelli Mario , Draisci Gaetano
Published: September 2024

Introduction/Aims

Nusinersen intrathecal administration can be challenging in spinal muscular atrophy (SMA) adults. We aimed to determine if the ultrasound (US)‐assistance reduces the number of needle attempts and needle redirections needed for intrathecal drug administration and its impact on the procedure time, the incidence of adverse events (AEs), and patient satisfaction in these patients.

Methods

Fifty‐eight patients aged 18 years and older scheduled for intrathecal nusinersen injection were enrolled and randomized (1:1 ratio) into Group 1 (nusinersen infusion with US‐assisted technique) or Group 2 (nusinersen infusion with landmark‐based technique). The number of attempts, number of redirections, periprocedural time, AEs and patient satisfaction were reported. Continuous variables were compared with the Student t‐test or Wilcoxon rank sum test. Categorical variables were evaluated with the Chi‐square test or Fisher's exact test in case of expected frequencies <5. The p‐values <.05 were considered statistically significant.

Results

There were no statistical differences in the number of attempts, AEs, or patient satisfaction between the two groups. The number of needle redirections was significantly lower in the ultrasound group versus landmark‐based group (p < .05) in both the overall group of patients and in the subgroup with difficult spines. The periprocedural time was about 40 seconds longer in US‐group versus landmark‐based group (p < .05).

Discussion

In SMA adults, US assistance reduces the number of needle redirections needed for intrathecal drug administration. These results suggest that the US assistance may be advantageous for nusinersen therapy to reduce the therapeutic burden of intrathecal infusion.
Signal and image reconstruction with a double parameter Hager–Zhang‐type conjugate gradient method for system of nonlinear equations
Authors: Ahmed Kabiru , Waziri Mohammed Yusuf , Halilu Abubakar Sani , Murtala Salisu , Abdullahi Habibu
Published: September 2024

The one parameter conjugate gradient method by Hager and Zhang (Pac J Optim, 2(1):35–58, 2006) represents a family of descent iterative methods for solving large‐scale minimization problems. The nonnegative parameter of the scheme determines the weight of conjugacy and descent, and by extension, the numerical performance of the method. The scheme, however, does not converge globally for general nonlinear functions, and when the parameter approaches 0, the scheme reduces to the conjugate gradient method by Hestenes and Stiefel (J Res Nat Bur Stand, 49:409–436, 1952), which in practical sense does not perform well due to the jamming phenomenon. By carrying out eigenvalue analysis of an adaptive two parameter Hager–Zhang type method, a new scheme is presented for system of monotone nonlinear equations with its application in compressed sensing. The proposed scheme was inspired by nice attributes of the Hager–Zhang method and the various schemes designed with double parameters. The scheme is also applicable to nonsmooth nonlinear problems. Using fundamental assumptions, analysis of the global convergence of the scheme is conducted and preliminary report of numerical experiments carried out with the scheme and some recent methods indicate that the scheme is promising.
Tracheal Ultrasound for Diagnosis of Tracheal Cartilaginous Sleeve in Patients with Syndromic Craniosynostosis
Authors: Richardson Clare M. , Lam Austin S. , Nicholas Grace E. , Wang Xing , Sie Kathleen C. , Perkins Jonathan A. , Cunningham Michael L. , Romberg Erin K. , Menashe Sarah , Tang Elizabeth , Otjen Jeffrey P. , Dahl John P.
Published: September 2024

Objective

The aim of this study was to assess the utility of ultrasound (US) imaging for diagnosis of abnormal tracheal morphology, such as tracheal cartilaginous sleeves (TCS), in patients with syndromic craniosynostosis (SC).

Study Design

Age‐matched cohort study.

Setting

Tertiary pediatric hospital.

Methods

Two age‐matched cohorts were identified: patients with SC and known TCS based upon airway endoscopy and normal controls without tracheal pathology. Enrolled patients underwent awake US of the neck which were randomized and reviewed by blinded pediatric radiologists and rated on presence or absence of normal tracheal cartilage morphology and visualization or nonvisualization of a tracheostomy tube. Fisher's exact test was used to assess pooled data. Fleiss' Kappa (κ) was calculated to assess inter‐rater reliability.

Results

Ten patients were included in each cohort. Control patients were gender and age‐matched to TCS patients with a mean difference of 3.7 months (±3.9 months). Across all raters, cartilage type was correctly identified in 93% (95% confidence interval [CI]: 84%‐98%) and tracheostomy visualization in 97% (95% CI: 89%‐99%). The sensitivity and specificity for detection of abnormal cartilage pathology was 87% and 100%, respectively. Inter‐rater reliability for cartilage assessment was κ = 0.88 (95% CI: 0.67‐1.00, P < .05) and 0.83 (95% CI: 0.58‐1.00, P < .05) for tracheostomy presence.

Conclusion

This study demonstrated that tracheal US is a feasible, accurate screening tool for TCS, and can be successfully performed non‐sedated in patients up to 18 years of age, both with and without tracheostomy tubes in place.
The Staged Photocatalytic Reactor in the Removal of Acetaminophen: Aspects of Adsorption and Photocatalysis
Authors: Aguilar Claudia , García Mayra , Montalvo Carlos , Anguebes Francisco , Abatal Mohamed , Cerón Julia , Cerón Rosa , Figueroa Sandra , Ruiz Alejandro , Rangel Marcela
Published: September 2024

The efficiency of a staged photocatalytic reactor prototype was evaluated on a semi‐pilot scale with the removal of acetaminophen, for which anatase particles were synthesized by Sol‐Gel and impregnated on rectangular plates of clay. X‐ray diffraction and Energy Dispersive X‐ray Fluorescence patterns show that the final composite is made up of Al2O3 (14 %), SiO2 (41 %), CaO (3 %) TiO2 (34 %), and Fe2O3 (7 %). The impregnation method favors the dispersion of Anatase on the surface of the adsorbent. TiO2‐Anatase/Clay, classified as a macro‐porous solid with H3‐type hysteresis loops by N2 physisorption. Adsorption processes are improved when using TiO2‐Anatase/Clay compared to using TiO2‐Anatase. The external mass transfer has a greater influence on the removal rate. The dimensionless parameters of the Biot number indicate there are no limitations due to the diffusive effect on the interior of the particle. The evaluation of the kinetic data under the Langmuir‐Hinshelwood equation shows a decrease in efficiency as the initial concentration increases. The acetaminophen molecule shows destabilization in the structure of the aromatic ring with a visible decrease in the signals of this functional group evaluated by High‐Performance Liquid Chromatography and Raman Spectroscopy.
Isotropic growth model for generalized scaled boundary isogeometric analysis on slender structures
Authors: Spahn Florian , Kolisch Florian , Praster Maximilian , Balmayor Elizabeth Rosado , Klinkel Sven
Published: September 2024

Components for timber constructions are usually based on simple geometrical shapes. In the production, bifurcated or curved components of the tree crown remain unused. Recently, building botany has evolved as a new discipline of living construction design. Therefore, trees are lead in the right shape to join as a load‐bearing structure interconnected with conventional parts. For the structural analysis, geometric features such as curvature or bifurcations exhibit unique static capabilities. It is crucial to transfer these geometries into the calculation model accurately. The structure can be depicted through three‐dimensional scanning techniques. A fundamental model (point cloud) is created in this process. This is the base for a Non‐uniform rational B‐spline (NURBS) model, existing as a 2D surface within a 3D space. Using the novel generalized scaled boundary isogeometric analysis (GSBIGA)‐approach, numerical disadvantages of conventional scaled boundary methods can be reduced. This method employs a scaling center line instead of a scaling center point. A growth simulation is used to describe the leading process. The present approach is based on an isotropic growth model applied to wooden growth applications. Therefore, the deformation gradient is split multiplicatively into an elastic and a growth part. The formulation for modeling volumetric growth is located on the kinematic level.
Rainfall Impacts Dissolved Organic Matter and Cation Export From Permafrost Catchments and a Glacial River During Late Summer in Northeast Greenland
Authors: Fouché Julien , Hirst Catherine , Bonneville Steeve , Opfergelt Sophie , Haghipour Negar , Eglinton Timothy I. , Vonk Jorien E. , Bröder Lisa
Published: September 2024

Ongoing and amplified climate change in the Arctic is leading to glacier retreat and to the exposure of an ever‐larger portion of non‐glaciated permafrost‐dominated landscapes. Warming will also cause more precipitation to fall as rain, further enhancing the thaw of previously frozen ground. Yet, the impact of those perturbations on the geochemistry of Arctic rivers remains a subject of debate. Here, we determined the geochemical composition of waters from various contrasting non‐glacial permafrost catchments and investigated their impact on a glacially dominated river, the Zackenberg River (Northeast Greenland), during late summer (August 2019). We also studied the effect of rainfall on the geochemistry of the Zackenberg River, its non‐glacial tributaries, and a nearby independent non‐glacial headwater stream Grænse. We analyzed water properties, quantified and characterized dissolved organic matter (DOM) using absorbance and fluorescence spectroscopy and radiocarbon isotopes, and set this alongside analyses of the major cations (Ca, Mg, Na, and K), dissolved silicon (Si), and germanium/silicon ratios (Ge/Si). The glacier‐fed Zackenberg River contained low concentrations of major cations, dissolved Si and dissolved organic carbon (DOC), and a Ge/Si ratio typical of bulk rock. Glacial DOM was enriched in protein‐like fluorescent DOM and displayed relatively depleted radiocarbon values (i.e., old DOM). Non‐glacial streams (i.e., tributaries and Grænse) had higher concentrations of major cations and DOC and DOM enriched in aromatic compounds. They showed a wide range of values for radiocarbon, Si and Ge/Si ratios associated with variable contributions of surface runoff relative to deep active layer leaching. Before the rain event, Zackenberg tributaries did not contribute notably to the solute export of the Zackenberg River, and supra‐permafrost ground waters governed the supply of solutes in Zackenberg tributaries and Grænse stream. After the rain event, surface runoff modified the composition of Grænse stream, and non‐glacial tributaries strongly increased their contribution to the Zackenberg River solute export. Our results show that summer rainfall events provide an additional source of DOM and Si‐rich waters from permafrost‐underlain catchments to the discharge of glacially dominated rivers. This suggests that the magnitude and composition of solute exports from Arctic rivers are modulated by permafrost thaw and summer rain events. This event‐driven solute supply will likely impact the carbon cycle in rivers, estuaries, and oceans and should be included into future predictions of carbon balance in these vulnerable Arctic systems.
Structural and Biochemical Characterization of Aminoglycoside Nucleotidyltransferase(6)‐Ib From Campylobacter fetus subsp. fetus
Authors: Nalam Pranav , Cook Paul D. , Smith Brian A.
Published: September 2024

Aminoglycoside antibiotics have played a critical role in the treatment of both Gram‐negative and Gram‐positive bacterial infections. However, antibiotic resistance has severely compromised the efficacy of aminoglycosides. A leading cause of aminoglycoside resistance is mediated by bacterial enzymes that inactivate these drugs via chemical modification. Aminoglycoside nucleotidyltransferase‐6 (ANT(6)) enzymes inactivate streptomycin by transferring an adenyl group from ATP to position 6 on the antibiotic. Despite the clinical significance of this activity, ANT(6) enzymes remain relatively uncharacterized. Here, we report the first high resolution x‐ray crystallographic structure of ANT(6)‐Ib from Campylobacter fetus subsp. fetus bound with streptomycin. Structural modeling and gel filtration chromatography experiments suggest that the enzyme exists as a dimer in which both subunits contribute to the active site. Moreover, superposition of the ANT(6)‐Ib structure with the structurally related enzyme lincosamide nucleotidyltransferase B (LinB) permitted the identification of a putative nucleotide binding site. These data also suggest that residues D44 and D46 coordinate essential divalent metal ions and D102 functions as the catalytic base.
Enhancing Reliability and Regeneration of Single Passivated Emitter Rear Contact Solar Cell Modules through Alternating Current Power Application to Mitigate Light and Elevated Temperature‐Induced Degradation
Authors: Jony Jaljalalul Abedin , Yousuf Hasnain , Zahid Muhammad Aleem , Khokhar Muhammad Quddamah , Madara Polgampola Chamani , Rahman Rafi Ur , Kim Youngkuk , Aida Maha Nur , Sanyal Simpy , Park Sangheon , Dhungel Suresh Kumar , Yi Junsin
Published: September 2024

The study explores a novel method to combat the Light and Elevated Temperature‐Induced Degradation (LeTID) in solar cell modules, which significantly reduces their efficiency and lifespan. This method involves applying alternating current (AC) of various waveforms (triangular, sinusoidal, and square) and frequencies (5 and 100 kHz) to boron‐doped p‐type passivated emitter rear contact (p‐PERC) solar cell modules. This approach effectively lowers the series resistance at the critical junction between the silver (Ag) contact and the silicon emitter layer of the PERC solar cell, thereby reducing charge recombination hindered by high resistance, especially at elevated temperatures. As a result, there is an improved flow of electrical charges, leading to decreased energy loss and increased solar cell efficiency. The study's findings indicate that a slow, smooth sinusoidal AC waveform at 100 kHz is particularly effective, restoring about 100% of the original performance of the panel. Moreover, oscillations at 5 kHz also show considerable efficacy, recovering more than 96% of the performance. The sinusoidal waveform is noted to surpass both triangular and square waveforms in recovery efficiency. This research highlights the use of high‐frequency AC electricity as a viable strategy to extend the lifespan and enhance the performance of solar panels.
Half‐Metallic Ferromagnetism in 2D Janus Monolayers: Mn2GeX (X = As, Sb)
Authors: Ma Qiuyue , Ge Yanfeng , Wan Wenhui , Yang Guochun , Liu Yong
Published: September 2024

Two‐dimensional (2D) Janus materials are a fascinating class of materials resulting from their unique electronic and magnetic properties induced by mirror symmetry breaking. However, 2D Janus materials with intrinsic magnetism remain rather rare, casting a mysterious veil over magnetism. In this work, the electronic and magnetic properties of Janus Mn2GeX (X = As, Sb) monolayers using the first‐principles calculations are investigated. The results demonstrate that these Janus materials exhibit excellent mechanical and dynamic stability, indicating their potential for future applications in nanoscale spintronic devices. Interestingly, the Janus and monolayers possess exciting half‐metallic character with wide half‐metallic gaps of 0.29 and 0.18 eV, and spin gaps of 1.68 and 1.62 eV, respectively. Their calculated ground state exhibits a strong preference for ferromagnetic ordering, with a Curie temperature () of 630 and 590 K, respectively. Additionally, the ferromagnetism of Janus Mn2GeX (X = As, Sb) monolayers is robust against biaxial strain ranging from −6% to 6%. Under 6% tensile strain, the calculated of the monolayer is 639 K, which represents a 9% increase compared to the observed in the unstrained condition. All these intriguing electronic and magnetic properties make the Janus Mn2GeX (X = As, Sb) monolayers an appealing candidate for applications in nanoscale spintronic devices.
Drivers of the ECMWF SEAS5 seasonal forecast for the hot and dry European summer of 2022
Authors: Patterson Matthew , Befort Daniel J. , O'Reilly Christopher H. , Weisheimer Antje
Published: September 2024

The European summer (June–August) 2022 was characterised by warm and dry anomalies across much of the continent, likely influenced by a northward‐shifted jet stream. These general features were well predicted by European Centre for Medium‐Range Weather Forecasts' system 5 seasonal forecast, initialised on May 1. Such successful predictions for European summers are relatively uncommon, particularly for atmospheric circulation. In this study, a set of hindcast experiments is employed to investigate the role that initialisation of the ocean, atmosphere, and land surface played in the 2022 forecast. We find that the trend from external forcing was the strongest contributor to the forecast near‐surface temperature anomalies, with atmospheric circulation and land‐surface interactions playing a secondary role. On the other hand, atmospheric circulation made a strong contribution to precipitation anomalies. Modelled Euro‐Atlantic circulation anomalies in 2022 were consistent with a La Niña‐forced teleconnection from the tropical Pacific. However, a northward jet trend in the model hindcasts with increasing greenhouse gas concentrations also contributed to the predicted circulation anomalies in 2022. In contrast, the observed linear trend in the jet over the past four decades was a southward shift, though it is unclear whether this trend was driven by external forcings or natural variability. Nevertheless, this case study demonstrates that important features of at least some European summers are predictable at the seasonal time‐scale.
Beyond environmental sustainability: Low‐carbon land use policies can contribute to the realization of comprehensive sustainable development
Authors: Liu Ke , Cheng Peng , Zhang Anlu , Qin Sixian , Zhang Xue
Published: September 2024

In the context of climate change and sustainable development, there has been numerous researches studying the influence of land use policies on carbon sequestration. However, most of them focus on specific experimental area to explore the impact of land use policies on carbon fixation, or their impacts on a certain aspect, lacking the comprehensive explanation of both the internal influence mechanism and external effects. Therefore, this article presents a comprehensive review and the results show that scientific land use policies have the capacity of increasing net carbon sinks and soil organic carbon to realize environmental sustainability. In addition, these low‐carbon land use policies can not only bring out this climate change mitigation influence, but also have external effects on cities sustainable development, food security, ecological protection, and economic disparities to promote comprehensive sustainable development. However, if these policies fail to adapt to local natural and socio‐economic conditions, or overlook the potential negative impacts they could pose, these policies cannot facilitate the achievement of comprehensive sustainable development and could even impede this progress.
Incorporation of Silver Nanoparticles for Improvement of Antibacterial and Fruit Preservation Properties of Pectin/Carboxymethyl Cellulose Packaging Film Derived from Grapefruit Peels
Authors: Do Nguyen Hanh , Pham Ha Minh , Pham Hien Thanh , Vuong Oanh Thi Kim , Dao An Thi Thuy , Vu Ngoc Thi Bich , Ngo Thu Hong Anh
Published: September 2024

The study focuses on enhancing the antibacterial properties of packaging films derived from Pectin and Carboxymethyl Cellulose (CMC) by incorporating silver nanoparticles (AgNPs). Pectin and CMC were sourced from grapefruit peels to utilize agricultural by‐products and introduce sustainable alternatives to petroleum‐based packaging films. A comprehensive characterization of the films was conducted to assess their morphology, functionality, and physical/mechanical attributes. The Pectin/CMC/AgNPs composite exhibits superior mechanical properties, achieving a peak tensile strength of 33.01 MPa and an elongation at a break of 22.93 %. The antibacterial efficacy against Escherichia coli (E. coli) and the Bacillus subtilis (B. subtilis) strains of Pectin/CMC and Pectin/CMC/AgNPs films was examined. In addition, the preservation efficacy of green grapes using those films was evaluated over 10 days, focusing on maintaining grape weight, organic acid, and vitamin C content. Results demonstrate that all films possess notable mechanical durability, with the Pectin/CMC/AgNPs film demonstrating superior antibacterial activity. Green grapes preserved with the Pectin/CMC/AgNPs film exhibit the highest fruit weight retention, and the highest maintenance in acid, and vitamin C content, underscoring the remarkable enhancement achieved by incorporating AgNPs.
One‐Pot Carbothermal Reduction Preparation of Cu‐BTC@Cu/C Heterostructure for Enhanced Nonenzymatic Electrochemical Glucose Sensing
Authors: Yao Niu , Liang Kai , Hou Xinghui , Yuan Huiyu , Cui Junyan , Jia Quanli
Published: September 2024

A heterostructure based on MOFs with a small lattice mismatch is ideal for improving glucose‘s electrochemical sensing performance. Herein, a novel one‐pot carbothermal reduction technique to prepare Cu‐BTC@Cu/C heterostructure with intimate interfacial contact and high yield was developed, by in situ integrating Cu‐BTC (Cu3(BTC)2 ⋅ 3H2O) and its derived Cu/C nanocomposites. Structure characterizations demonstrated that Cu‐BTC@Cu/C heterostructure shows a synergistic effect in the combination of these two components, with more electrochemical active sites and lower resistance. Compared with each individual component, Cu‐BTC@Cu/C heterostructure exhibits better glucose electrooxidation performance. Under optimal condition, an extremely sensitive nonenzymatic glucose sensor with a low detection limit of 6.78 μM, sensitivity of 911.03 μA mM−1 cm−2, linear range of 0.001–2.0 mM, and anti‐interference performance is presented. Meanwhile, the newly constructed sensor was effectively employed for detecting glucose in honey sample with perfect recoveries, showing its great potential toward glucose monitoring in real sample. In addition, it has been demonstrated Cu(II) can be induced into Cu(I) by glucose in solution, while Cu(I) could be electrochemically converted to Cu(II), therefore achieving a Cu(I)/Cu(II) redox cycle. It offers a promising strategy for synthesis of advanced electrocatalysts with high efficiency and promising applications in this paper.
Green synthesized Waste‐Derived Anatase form of TiO2 Nanoparticles from Hordeum vulgare L. (Barley): A Multidisciplinary Approach Connecting Biology, Environment, and Agriculture
Authors: Chakraborty Shreya , V Devi Rajeswari
Published: September 2024

Biological methods for creating nanoparticles utilizing plant‐based extracts have generated considerable interest due to their desirable ecological characteristics when compared to chemical methods. In this, TiO2 NPs were synthesized from the waste of the Hordeum vulgare L. We employed various methods for characterizing our sample, including Ultraviolet‐visible spectroscopy, Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction, Scanning electron microscopy, Energy dispersive X‐ray spectroscopy, thermogravimetric analysis, AFM, Dynamic light scattering and Zeta‐potential to confirm the TiO2 NPs (Titanium dioxide Nanoparticles) synthesis followed by biological applications such as anti‐microbial, and anti‐oxidant assays to confirm TiO2 NPs biological properties. The photocatalytic activity of the TiO2 nanoparticles was also studied followed by a full factorial method to understand the consequences of time, pH, and concentration on the dye degradation. Apart from this, the synthesized nanoparticles were also used to check the agricultural efficacy on Phaseolus vulgaris plant seed, where it was seen that the TiO2 nanoparticles not only enhanced the growth of the plant at lower concentrations but also enhanced the photosynthetic activity and chlorophyll, phenol and flavonoid content of it when compared to higher concentration and control. The molecular aspects (DNA) were also analyzed by gel electrophoresis to check the effect of TiO2 nanoparticles on the DNA of plants at different concentrations. Our study focuses on making the best use of the waste of Hordeum vulgare L. to synthesize biogenic TiO2 nanoparticles that can prove themselves to be one of the significant options for the industrial, agricultural, and biological world.
Switch from The Traditional RPLC Method to the Green RPLC Methods in The Determination of The Ionization Constant (pKa) of Favipiravir
Authors: Daldal Y. Doğan
Published: September 2024

In this study, the ionization constant (pKa) of favipiravir was determined using both green and the traditional RPLC methods. To determine these values, acetonitrile‐water and methanol‐water mixtures were used in the traditional RPLC methods, while ethanol‐water and micellar solvent‐free mixtures were used in the green RPLC methods. The pKa value of favipiravir was calculated by evaluating the chromatographic data obtained in the investigated hydro‐organic and micellar solvent‐free mixtures using two different calculation methods. In the determination of their pKa values in water
from the pKa values
of the investigated compounds determined in hydro‐organic mixtures, the relationship between some macroscopic values of acetonitrile, methanol, ethanol and the
values was used, while the
values of the compounds could be determined directly in micellar solvent‐free mobile phases. It was found that the directly and indirectly calculated
values were quite compatible with each other. Using the
value calculated for favipiravir, the ionization percentages at different pH values (1–12) were calculated by the Henderson‐Hasselbalch equation. The environmental impact of the RPLC methods used in this study was assessed using the Green Metrics tools GAPI and AGREE.
Synthesis of Flavonoid/Sulfonamide Hybrid Molecules as Potential Inhibitors of Cholinesterases: In Vitro, Molecular Docking, Molecular Dynamic and DFT Studies
Authors: Oztekin Aykut , Stellenboom Nashia
Published: September 2024

Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) belong to the serine hydrolase enzyme family and has been implicated to have a crucial role in the pathogenesis of Alzheimer's disease (AD). Generally, treatment strategies for AD has focused on the development of inhibitors of these enzymes. In light of this, a series of novel N‐(4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide compounds were synthesized and their inhibition potentials on AChE and BChE were investigated. The results of the inhibition assay revealed that N‐(2,6‐dichloro‐4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide was the most active inhibitor for AChE and BChE with Ki values of 4.2 nM and 0.15 μM, respectively. Compared to the standard drug rivastigmine all the synthesized compounds showed better AChE inhibition properties, while the BChE inhibition was comparable to the drug. The results indicate that N‐(2,6‐dichloro‐4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide can be considered for further drug design studies and thus DFT analyses were conducted to clarify the electronic structures of the compound while molecular docking was performed to determine the binding affinities of the compound to target proteins. Lastly, molecular dynamics (MD) simulations were conducted to assess the time‐dependent behavioral changes of the complexes.
Molybdenum‐Promoted Synthesis of Benzo[4,5]imidazo[1,2‐c]quinazolin‐6(5H)‐ones via Nitro Reduction and Ring Expansion
Authors: Zhao Ran , Meng Zerui , Meng Xiaoru , Huang Xinrui , Meng Xiangwei , Xie Caixia
Published: September 2024

A simple and efficient method to construct benzo[4,5]imidazo[1,2‐c]quinazolin‐6(5H)‐one skeleton was reported. A powerful functional group transformation strategy of −NO2 transformed into −NH2 was involved in this method. Only Mo(CO)6 was used in the reaction, which acted as both reductant and cyclization accelerator. And a series of benzo[4,5]imidazo[1,2‐c]quinazolin‐6(5H)‐one derivatives were obtained.
Optimizing Reversible Exsolution and Phase Transformation in Double Perovskite Sr2Fe1.5‐xCoxMo0.5O6‐δ Electrodes for High‐Performance Symmetric Solid Oxide Cells
Authors: Jeon Hyejin , Kim Yo Han , Kim Hyeonggeun , Jeong Hyeongwon , Won Bo‐Ram , Jang Wonjun , Park Chan‐ho , Lee Kang Taek , Myung Jae‐ha
Published: September 2024

Double perovskite (DP) oxides are promising electrode materials for symmetric solid oxide cells (SSOCs) due to their excellent electrochemical activity and stability. B‐site cation doping in DP oxides affects the reversibility of phase transformation and exsolution, which plays a crucial role in the catalyst recovery. Yet, few studies have been conducted on this topic. In this study, the Sr2Fe1.5‐xCoxMo0.5O6‐δ (CSFM, x = 0, 0.1, 0.3, 0.5) DP system demonstrates modulated exsolution and phase transformation reversibility by manipulating the oxygen vacancy concentration. The correlation between Co‐doping level and oxygen vacancy concentration is investigated to optimize the exsolution and phase transformation properties. Sr2Fe1.2Co0.3Mo0.5O6‐δ (3CSFM) exhibits reversible transformation between DP and Ruddlesden–Popper phases with a high density of exsolved CoFe nanoparticles under redox atmospheres. The quasi‐symmetric cell with 3CSFM shows a peak power density of 1.27 W cm−2 at 850 °C in H2 fuel cell mode and a current density of 2.33 A cm−2 at 1.6 V and 800 °C in H2O electrolysis mode. The 3CSFM electrode exhibits robust stability during continuous operation for ≈700 h. These results demonstrate the significant role of B‐site doping in designing DP materials capable of dynamic phase transformation in diverse environments.
Cathode‐Electrolyte Interphase Engineering toward Fast‐Charging LiFePO4 Cathodes by Flash Carbon Coating
Authors: Chen Jinhang , Onah Obinna E. , Cheng Yi , Silva Karla J. , Choi Chi Hun (Will) , Chen Weiyin , Xu Shichen , Eddy Lucas , Han Yimo , Yakobson Boris I. , Zhao Yufeng , Tour James M.
Published: September 2024

Lithium iron phosphate (LiFePO4, LFP) batteries are widely used in electric vehicles and energy storage systems due to their excellent cycling stability, affordability and safety. However, the rate performance of LFP remains limited due to its low intrinsic electronic and ionic conductivities. In this work, an ex situ flash carbon coating method is developed to enhance the interfacial properties for fast charging. A continuous, amorphous carbon layer is achieved by rapidly decomposing the precursors and depositing carbon species in a confined space within 10 s. Simultaneously, different heteroatoms can be introduced into the surface carbon matrix, which regulates the irregular growth of cathode‐electrolyte interphase (CEI) and selectively facilitates the inorganic region formation. The inorganic‐rich, hybrid conductive CEI not only promotes electron and ion transport but also restricts parasitic side reactions. Consequently, LFP cathodes with fluorinated carbon coatings exhibited the highest capacity of 151 mAh g−1 at 0.2 C and 96 mAh g−1 at 10 C, indicating their excellent rate capability over commercial LFP (58 mAh g−1 at 10 C). This solvent‐free, versatile surface modification is shown for other electrode materials, providing an efficient platform for electrode‐electrolyte interphase engineering through a surface post‐treatment.
SnS2 Nanoparticles Embedded in BiVO4 Surfaces via Eutectic Decomposition for Enhanced Performance in Photoelectrochemical Water Splitting
Authors: Chaudhary Surekha , Hassan Mostafa Afifi , Kim Myeong‐Jin , Jung Wan‐Gil , Ha Jun‐Seok , Moon Won‐Jin , Ryu Sang‐Wan , Kim Bong‐Joong
Published: September 2024

BiVO4 has garnered substantial interest as a promising photoanode material for photoelectrochemical water‐splitting due to its narrow band gap and appropriate band edge positions for water oxidation. Nevertheless, its practical use has been impeded by poor charge transport and sluggish water oxidation kinetics. Here, a hybrid composite photoanode is fabricated by uniformly embedding SnS2 nanoparticles near the surface of a BiVO4 thin film, creating a type II heterostructure with strong interactions between the nanoparticles and the film for efficient charge separation. This structure forms via eutectic melting during atomic layer deposition of SnS2 with subsequent phase separation between SnS2 and BiVO4 at room temperature, offering greater advantages and flexibilities over conventional exsolution techniques. Furthermore, the SnS2/BiVO4 hybrid composite is coated with a thin amorphous ZnS passivation layer to accelerate charge transfer process and enhance long‐term stability. The optimized BiVO4/SnS2/ZnS photoanode exhibits a photocurrent density of 5.44 mA cm−2 at 1.23 V versus RHE, which is 2.73 times higher than that of the BiVO4 photoanode, and a dramatic improvement in photostability retention at 1.23 V versus RHE, increasing from 55% to 91% over 24 hours. This method of anchoring nanoparticles onto host materials proves highly valuable for energy and environmental applications.
Real‐Space Tilting Method for Atomic Resolution STEM Imaging of Nanocrystalline Materials
Authors: Wei Jiake , Xu Zhangze , Shen Wenjie , Feng Bin , Ishikawa Ryo , Shibata Naoya , Ikuhara Yuichi , Bai Xuedong
Published: September 2024

Atomic‐resolution scanning transmission electron microscopy (STEM) characterization requires precise tilting of the specimen to a high symmetric zone axis, which is usually processed in reciprocal space by following the diffraction patterns. However, for small‐sized nanocrystalline materials, their diffraction patterns are often too faint to guide the tilting process. Here, a simple and effective tilting method is developed based on the diffraction contrast change of the shadow image in the Ronchigram. The misorientation angle of the specimen can be calculated and tilted to the zone axis based on the position of the shadow image with lowest intensity. This method requires no prior knowledge of the sample and the maximum misorientation angle that can be corrected is >±6.9° with sub‐mrad accuracy. It operates in real space, without recording the diffraction patterns of the specimens, making it particularly effective for nanocrystalline materials. Combined with the scripting to control the microscope, the sample can be automatically tilted to the zone axis under low dose conditions (<0.17 e− Å−2 s−1), facilitating the imaging of beam sensitive materials such as zeolites or metal‐organic frameworks. This automated tilting method can significantly contribute to the atomic‐scale characterization of the nanocrystalline materials by STEM imaging.
Effect of Trace Element B on the Microstructure and Mechanical Properties of 8Cr4Mo4V Bearing Steel
Authors: Yu Xingfu , Wu Ze , Hao Tianci , Su Yong , Jia Ying , Wei Yinghua
Published: September 2024

By means of salt‐bath austempering treatment, microstructure observation, X‐Ray diffraction analysis, microhardness measurement, and friction and wear performance tests for 8Cr4Mo4V steels with standard composition and with trace addition of 0.005% boron, the effect of boron on the phase composition and mechanical properties of the steel is studied. The results show that trace element boron greatly increases the content of needle‐like lower bainite in the quenched microstructure, promotes the dissolution of undissolved carbides, reduces the content of M/A island, but coarsens grains. After tempering, trace element B increases the amount of bainite generation, refines the lath martensite, and significantly promotes the precipitation of carbides, whose size is finer, and the distribution is more dispersed. In terms of mechanical properties, trace element B improves the hardness by promoting the precipitation of the second phase and refining the lath martensite, and the increase in the bainite content changes the wear mechanism and enhances the wear resistance.
Experimental investigation on mechanical property and hydration process of sintered sludge cement paste at different water‐binder ratios and curing ages
Authors: Zhang Jinrui , Li Chenjiang , Lv Tong , Hou Dongshuai , Hong Shuxian , Dong Biqin
Published: September 2024

This research investigated the mechanical property and hydration process of sintered sludge cement (SSC) paste, focusing on the effects of calcination temperature of sludge, sintered sludge ash (SSA) content, curing age, and water‐binder ratio using isothermal calorimetry, X‐ray diffraction, scanning electron microscopy, and multiple regression. Increasing calcination temperature enhanced the compressive strength of SSC paste due to the decomposition of minerals like Clinochlore and Muscovite. The compressive strength decreased by 2.4%–49.4% when the SSA content increased from 0% to 50%, with more significant declines noted at higher water‐binder ratios. Notably, the 7‐day compressive strength of the cement paste with 10% SSA showed little change, and the 28‐day compressive strength actually increased at a water‐binder ratio of 0.4. SSA slowed down the hydration rate of cement and induced more Monocarbonate to form in the early stage. A multiple linear regression model was developed to predict SSC compressive strength with a 12% error margin.
Linear electronic relationship of surface functionalized fly ash and substituted phenols on bactericidal activity with the computational study
Authors: Sharma Ankit , Rani Ashu , Sharma Shobhana , Malav Kunjbihari , Balichwal Tushar , Paridwal Yogesh kumar , Sharma Shikha , Sharma Sushil Kumar
Published: September 2024

Fly ash is a solid waste by‐product obtained from coal‐burning power plants. It is a silico‐aluminate material with an admixture of several metal oxides, which finds an application in geopolymers, zeolites, cement, catalysts, etc. The present article aims to assess the antibacterial activity of fly ash and substituted phenols against Escherichia coli and Staphylococcus in broth and agar cultures, respectively. High‐Temperature Activated Fly Ash (TAFA) shows significant bactericidal activity against gram positive (+) and negative (−) bacteria as compared to Mechanically Activated Fly Ash (MAFA) and Waste Polyethylene Coated Fly Ash (WPCFA), which attribute to the augmentation of mullite phase (lacking charge balancing cation) of fly ash at high temperature. These modified fly ash (TAFA, MAFA, and WPCFA) were characterized by Fourier Transform Infra Red (FT‐IR), Scanning Electron Microscope (SEM), and X‐Ray Diffraction (XRD) techniques. The substituted phenols further explored the significance of charge on the antibacterial properties. The para‐substituted phenols with groups having (+) mesomeric effect M > (−) I Inductive effect and ortho substituents with (+) I effect shows a linear electronic relationship with antibacterial properties with gram (+) bacteria, owing to charge augmentation at oxygen atom of phenoxide ion due to electronic effects. Further, the bactericidal efficacy was less significant on gram (−) bacteria. Small energy gap (Egap) values corroborated the chemical reactivity of phenols and substituted phenols. The antimicrobial potential of phenol/substituted phenols can be correlated with global descriptors. Molecular Electrostatic Potential (MEP) maps obtained through Density Functional Theory (DFT) indicate the nucleophilic centers in the molecular structure.
Using autonomous recording units to identify and monitor western yellow‐billed cuckoo habitat
Authors: Beauregard Nicholas D. , Theimer Tad C. , Sferra Susan J. , Pasch Bret
Published: September 2024

Autonomous recording units (ARUs) paired with signal classification software can be used to detect species‐specific calls, making them useful for evaluating patterns in avian occurrence and activity. However, classification of target signals is not always reliable and may be especially challenging for species that vocalize infrequently. We assessed the use of ARUs to identify and monitor habitat for a cryptic and federally threatened distinct population segment, the western yellow‐billed cuckoo (Coccyzus americanus) in mountainous xeroriparian drainages. Using Kaleidoscope Pro, we developed a call‐classifier and processed acoustic data collected in sites also surveyed using traditional human‐observer methods, applying the same spatial and temporal detection criteria to estimate breeding territories for each method. The classifier detected a total of 4,061 true positive calls at 4 sites, had an overall precision score of 0.07, recall score of 0.09, and F‐score (beta = 1) of 0.08, indicating high false positive and false negative classification rates. Our results were, however, consistent with other ARU studies of rare and cryptic species and ARUs estimated occupancy as effectively as human surveys with as little as 2 hours of daily recording. Total detections varied among sites, likely due to differences in cuckoo population densities and the interaction between topography and ARU detection space. Our results suggest that despite performance shortcomings of call‐classifiers, ARUs can be effective for monitoring cuckoos, with potential for providing higher resolution temporal and spatial information on activity and habitat use and may be particularly effective in remote locations where cuckoos often occur.
Methodenteil
Authors: Tanner Iris
Published: September 2024

Für die vorliegende Arbeit stand der Datensatz der schweizerisch-deutschen Videostudie (DECH-Studie) zur Verfügung (vgl. u.a Klieme, Pauli & Reusser, 2006; Reusser, Pauli 2013). Neben Videoaufnahmen zu drei aufeinanderfolgenden Lektionen zur Einführung des Satzes von Pythagoras umfasst die Studie ebenfalls Videoaufnahmen zu zwei Lektionen zu mathematischen Textaufgaben im Klassensetting und in zweierlei Tutoring-Settings. Die 1:4-Tutoring-Settings sind der für die vorliegende Arbeit verwendete Datensatz. Darin wird in einer lehrpersonenbegleiteten Gruppenarbeit auf der Sekundarstufe I von vier Lernenden eine standardisierte Textaufgabe mehr oder minder gemeinsam gelöst. Im vorliegenden Kapitel werden nach der Aufgabenanalyse (vgl. Kapitel 6.2) die deskriptiven (vgl. Kapitel 6.4) und die prozessbezogenen mikrostrukturiellen (vgl. Kapitel 6.5) Analyseinstrumente dargestellt. Um die Vielschichtigkeit des interaktiven Geschehens in seinem Ablauf darstellen zu können, sind detaillierte Fallanalysen von ausgewählten Lehr-Lern-Dialogen erstellt worden. Die Analysekriterien und deren Herleitung sind im letzten Abschnitt dieses Kapitel dargestellt (vgl. Kapitel 6.6).
Quasiconvex Functionals of (p, q)-Growth and the Partial Regularity of Relaxed Minimizers
Authors: Gmeineder Franz , Kristensen Jan
Published: September 2024

We establish $$\textrm{C}^{\infty }$$

C
∞

-partial regularity results for relaxed minimizers of strongly quasiconvex functionals $$\begin{aligned} \mathscr {F}[u;\Omega ]:=\int _{\Omega }F(\nabla u)\textrm{d}x,\qquad u:\Omega \rightarrow \mathbb {R}^{N}, \end{aligned}$$

F

[
u
;
Ω
]

:
=

∫
Ω

F

(
∇
u
)

d
x
,

u
:
Ω
→

R

N

,

subject to a q-growth condition $$|F(z)|\leqq c(1+|z|^{q})$$

|
F

(
z
)

|
≦
c
(
1
+
|
z

|
q

)

, $$z\in \mathbb {R}^{N\times n}$$

z
∈

R

N
×
n

, and natural p-mean coercivity conditions on $$F\in \textrm{C}^{\infty }(\mathbb {R}^{N\times n})$$

F
∈

C
∞

(

R

N
×
n

)

for the basically optimal exponent range $$1\leqq p\leqq q<\min \{\frac{np}{n-1},p+1\}$$

1
≦
p
≦
q
<
min
{

np

n
-
1

,
p
+
1
}

. With the p-mean coercivity condition being stated in terms of a strong quasiconvexity condition on F, our results include pointwise (p, q)-growth conditions as special cases. Moreover, we directly allow for signed integrands which is natural in view of coercivity considerations and hence the direct method, but is novel in the study of relaxed problems. In the particular case of classical pointwise (p, q)-growth conditions, our results extend the previously known exponent range from Schmidt’s foundational work (Schmidt in Arch Ration Mech Anal 193:311–337, 2009) for non-negative integrands to the maximal range for which relaxations are meaningful, moreover allowing for $$p=1$$

p
=
1

. We also emphasize that our results apply to the canonical class of signed integrands and do not rely in any way on measure representations à la Fonseca and Malý (Ann Inst Henri Poincaré Anal Non Linéaire 14:309–338, 1997).