bluuebunny/crossref_metadata_2025 huggingface dataset:
Heat‐resistant and transparent polyimides derived from alicyclic dianhydrides and phthalazinone‐based diamine
Authors: Wang Bingbing , Zong Lishuai , Wang Jinyan , Zhang Yabin , Hou Wenhua , Jian Xigao
Published: September 2024

Advanced flexible display materials have drastically sparked considerable interest for heat‐resistant, low dielectric, and transparent polyimide (PI) materials. In light of this, our study aims to develop high‐performance semi‐aromatic PI films, followed by investigate the correlations between bridged‐alkyl/heteroaromatic ring structures and their thermal, dielectric, optical, and mechanical properties. Such PI films, namely AP‐PIs, were synthesized with a one‐step high‐temperature method between 4‐[4‐(4‐aminophenoxy) phenyl]‐2‐(4‐aminophenyl)‐1(2H)‐phthalazinone (DHPZDA) and various commercial alicyclic dianhydrides. The incorporation of rigid phthalazinone structures significantly enhanced thermal resistance and mechanical flexibility, while simultaneously reducing their dielectric constant (Dk), attributed to the large polymer internal free volume. Impressively, the prepared films exhibit exceptional glass transition temperature (Tg) as high as 419°C (DMTA tanδ peak), low Dk as low as 2.71, and elongation at break (ε %) up to 50.4%. Furthermore, AP‐PI films demonstrate reasonable solubility and optical transparency within the UV–visible region. The maximum optical transmittance at 550 nm (T550 nm) could reach 83.01%. These desirable properties position these materials as promising candidates for flexible substrate applications.
Effect of carboxymethyl cellulose incorporation to gelatin‐sunflower oil bigel on the physicochemical and structural properties
Authors: Shakouri Shahrzad , Arabshahi Sajad , Madanchi Hamid , Mohammadifar Mohammad Amin , Abdolshahi Anna
Published: September 2024

Bigels are innovative and appealing heterogeneous matrices composed of two structured‐gel (hydrogel and oleogel) phases, which suitable for the entrapment of both hydrophilic and lipophilic active agents. As structuring the bigel phases using convenient materials can enhance the main characteristics, this study aimed to develop bigel system based on a hybrid hydrogel consisting of gelatin and carboxymethylcellulose (CMC). The impact of incorporating various concentrations of CMC (0, 0.5, 1, 2, and 3% w/w) into gelatin‐based hydrogel at a constant organogel/hydrogel ratio of 60:40 was investigated on bigel properties. The integration of gelatin and CMC significantly affected the solvent holding capacity (SHC), microstructure, rheology, thermal, and textural properties. The results showed that bigel samples containing gelatin‐CMC had lower SHC compared to gelatin‐based samples. The integration of CMC to bigel formulation resulted in a significant decrease in hardness, cohesiveness, and adhesiveness also smooth texture. Differential scanning calorimeter (DSC) analysis of the bigels showed a descending trend in melting point from 99.07 to 98.60°C for bigel samples as the CMC concentration increased from 0% to 2%. This was followed by an increase in melting temperature (100.95°C) in the bigel containing 3% CMC. Particle size distribution data indicated that the droplet sizes of the bigels increased with the incorporation of CMC into the hydrogel phase, without displaying a distinct concentration‐dependent trend. The rheological characteristics of strain sweep, frequency sweep, and loss factor affected by gelatin/CMC concentration. Overall obtained results highlight that CMC incorporation to gelatin plays a crucial role in bigel offering different textural, rheological and thermal properties. So that carefully selection and optimization of gelatin and CMC concentrations in hydrogel phase are essential for tailoring the mechanical strength and stability of bigels for various applications such as drug delivery, cosmetic, and food industries. Regarding the desired properties of CMC, it could be recommend to use by combination with gelatin to create a structure–function aimed bigels.
Phytoconstituents as modulator of inflammatory pathways for COVID‐19: A comprehensive review and recommendations
Authors: Gupta Pragati , Dev Kamal , Kaur Gurjot
Published: September 2024

SARS‐CoV‐2 infection causes disruptions in inflammatory pathways, which fundamentally contribute to COVID‐19 pathophysiology. The present review critically evaluates the gaps in scientific literature and presents the current status regarding the inflammatory signaling pathways in COVID‐19. We propose that phytoconstituents can be used to treat COVID‐19 associated inflammation, several already formulated in traditional medications. For this purpose, extensive literature analysis was conducted in the PubMed database to collect relevant in vitro, in vivo, and human patient studies where inflammation pathways were shown to be upregulated in COVID‐19. Parallelly, scientific literature was screened for phytoconstituents with known cellular mechanisms implicated for inflammation or COVID‐19 associated inflammation. Studies with insufficient evidence on cellular pathways for autophagy and mitophagy were considered out of scope and excluded from the study. The final analysis was visualized in figures and evaluated for accuracy. Our findings demonstrate the frequent participation of NF‐κB, a transcription factor, in inflammatory signaling pathways linked to COVID‐19. Moreover, the MAPK signaling pathway is also implicated in producing inflammatory molecules. Furthermore, it was also analyzed that the phytoconstituents with flavonoid and phenolic backbones could inhibit either the TLR4 receptor or its consecutive signaling molecules, thereby, decreasing NF‐κB activity and suppressing cytokine production. Although, allopathy has treated the early phase of COVID‐19, anti‐inflammatory phytoconstituents and existing ayurvedic formulations may act on the COVID‐19 associated inflammatory pathways and provide an additional treatment strategy. Therefore, we recommend the usage of flavonoids and phenolic phytoconstituents for the treatment of inflammation associated with COVID‐19 infection and similar viral ailments.
A resilient S2 monitoring chart with novel outlier detectors
Authors: Awais Ayesha , Saeed Nadia
Published: September 2024

While researchers and practitioners are seamlessly trying to develop methods for minimizing the effect of outliers in control charts, detecting and screening these outliers continue to pose serious challenges. Keeping in view, the researchers rely on robust estimators to modify the detection limits structure so that the chart can be more sensitive against outliers. In this study, we propose a robust control chart based on , , , , and estimators, whilst the process parameter is estimated from Phase‐I. Through intensive Monte‐Carlo simulations, the study presents how the estimation of parameter(s) and presence of outliers affect the efficacy of the chart, and then how the proposed outlier detectors bring the chart back to normalcy by restoring its efficacy and sensitivity. Average properties are used as the performance measures. The properties establish the superiority of the proposed scheme over and Tukey's outlier detectors. The applicability of the study includes the effectiveness of the proposed detectors in industrial data set but is not limited to manufacturing industries.
Dengue Infection During Pregnancy and Adverse Birth Outcomes: A Systematic Review and Meta‐Analysis
Authors: Shabil Muhammed , Khatib Mahalaqua Nazli , Zahiruddin Quazi Syed , Rekha M. M. , Kaur Mandeep , Rani Bindu , Koul Apurva , Ravi Kumar M. , Chauhan Ashish Singh , Rai Nishant , Sah Sanjit , Lakhanpal Sorabh , Bushi Ganesh
Published: September 2024

Dengue is a rapidly spreading mosquito‐borne viral disease, posing significant public health challenges in tropical and subtropical regions. This systematic review and meta‐analysis aimed to evaluate the relationship between maternal dengue virus infection and adverse birth outcomes. A literature search was conducted in PubMed, Embase, and web of science databases until April 2024. Observational studies examining the association between laboratory‐confirmed maternal dengue infection and adverse birth outcomes such as preterm birth, low birth weight (LBW), small for gestational age (SGA), stillbirth, and postpartum haemorrhage were included. Data were extracted, and risk of bias was assessed using the Newcastle‐Ottawa Scale. Random‐effects meta‐analysis models were used to pool data in R software (V 4.3). Twenty studies met the inclusion criteria. The pooled prevalence of preterm birth among dengue‐affected pregnancies was 18.3% (95% CI: 12.6%–25.8%), with an OR of 1.21 (95% CI: 0.78–1.89). For LBW, the pooled prevalence was 17.1% (95% CI: 10.4%–26.6%), with an OR of 1.00 (95% CI: 0.69–1.41). SGA had a pooled prevalence of 11.2% (95% CI: 2.7%–36.9%) and an OR of 0.93 (95% CI: 0.41–2.14). The prevalence of stillbirth was 3.3% (95% CI: 1.6%–6.8%), with significant associations found in some studies (RR: 2.67; 95% CI: 1.09–6.57). Postpartum haemorrhage had an OR of 1.97 (95% CI: 0.53–2.69). While maternal dengue infection was associated with a higher prevalence of preterm birth and LBW, the associations were not statistically significant. Significant associations were observed for stillbirth in specific studies. Further research with standardized methodologies is needed to clarify these relationships and identify potential mechanisms.
UGV‐Based Precision Spraying System for Chemical Apple Blossom Thinning on Trellis Trained Canopies
Authors: Mu Xinyang , He Long , Heinemann Paul , Schupp James , Karkee Manoj , Zhu Minghui
Published: September 2024

Blossom thinning is one of the key steps in apple crop load management that improves the quality of apples, reduces stress on the trees, and avoids the likelihood of biennial bearing. Conventional chemical blossom thinning such as air‐blast spraying can lead to excessive use of chemical thinner to ensure full coverage, which can also cause leaf damage fruit russeting. In addition, a well‐trained operator is required to use these chemical spraying systems. To address these challenges, a UGV‐based precision spraying system was developed for automated and targeted chemical blossom thinning for apples. The system is capable of automatically driving along the tree row in the orchard environment during blooming stage, locating apple flower clusters to be thinned using a real‐time machine vision system, and precisely spraying the chemical thinner to the targeted flower clusters. A set of field tests were conducted to evaluate the performance of the UGV‐based target spraying system by comparing it to a conventional air‐blast sprayer (ABS) and a previous prototype named the cartesian target sprayer (CTS). Tests showed that the flower cluster detection reached a precision of 93.8%. The UGV‐based spraying system used 2.2 L of chemical thinner to finish the chemical thinning for 30 apple trees, followed by the ABS and CTS with 4.2 and 2.4 L usage, respectively. The robotic system also obtained an average fruit set of 2.2 per cluster after thinning, which was comparable to that with the air blast sprayer. The findings indicated that the robotic thinning system demonstrated a 66.7% reduction in chemical usage compared to the ABS and exhibited a 43.0% faster operational pace than the CTS, while attaining a comparable fruit set per cluster. The outcomes of the study provided guidance for developing a full scale robotic chemical thinning system for modern apple orchards.
A Sharp Threshold for a Random Version of Sperner's Theorem
Authors: Balogh József , Krueger Robert A.
Published: September 2024

The Boolean lattice consists of all subsets of partially ordered under the containment relation. Sperner's Theorem states that the largest antichain of the Boolean lattice is given by a middle layer: the collection of all sets of size , or also, if is odd, the collection of all sets of size . Given , choose each subset of with probability independently. We show that for every constant , the largest antichain among these subsets is also given by a middle layer, with probability tending to 1 as tends to infinity. This is best possible, and we also characterize the largest antichains for every constant . Our proof is based on some new variations of Sapozhenko's graph container method.
Selection of number of clusters and warping penalty in clustering functional electrocardiogram
Authors: Yang Wei , Feldman Harold I. , Guo Wensheng
Published: September 2024

Clustering functional data aims to identify unique functional patterns in the entire domain, but this can be challenging due to phase variability that distorts the observed patterns. Curve registration can be used to remove this variability, but determining the appropriate level of warping flexibility can be complicated. Curve registration also requires a target to which a functional object is aligned, typically the cross‐sectional mean of functional objects within the same cluster. However, this mean is unknown prior to clustering. Furthermore, there is a trade‐off between flexible warping and the number of resulting clusters. Removing more phase variability through curve registration can lead to fewer remaining variations in the functional data, resulting in a smaller number of clusters. Thus, the optimal number of clusters and warping flexibility cannot be uniquely identified. We propose to use external information to solve the identification issue. We define a cross validated Kullback‐Leibler information criterion to select the number of clusters and the warping penalty. The criterion is derived from the predictive classification likelihood considering the joint distribution of both the functional data and external variable and penalizes the uncertainty in the cluster membership. We evaluate our method through simulation and apply it to electrocardiographic data collected in the Chronic Renal Insufficiency Cohort study. We identify two distinct clusters of electrocardiogram (ECG) profiles, with the second cluster exhibiting ST segment depression, an indication of cardiac ischemia, compared to the normal ECG profiles in the first cluster.
Pyridazine Derivatives as New Antidiabetic Agents: Synthesis, In‐Vitro α‐Amylase Inhibitory Activity, Molecular Docking and Molecular Dynamics Simulations Studies
Authors: Boukharsa Youness , Alhaji Isa Mustafa , Sayah Karima , Alsalme Ali , Oulmidi Afaf , Shehzadi Somia , El Abbes Faouzi My , Karrouchi Khalid , Ansar M'hammed
Published: September 2024

This study involved the synthesis, characterization, and assessment of fourteen pyridazine analogs (designated as 1–14) to investigate their efficacy in inhibiting the α‐amylase enzyme for potential diabetes treatment using an in vitro approach. Additionally, in silico molecular docking and molecular dynamic (MD) simulations were conducted to assess the inhibitory properties of these analogs. Physicochemical and pharmacokinetic properties of the fourteen pyridazine analogs were predicted using the DataWarrior tool. Results indicated that all tested compounds demonstrated significant α‐amylase inhibitory activity, with IC50 values ranging from 81.28±0.00 to 1623.54±2.67 μM compared to the standard drug acarbose (IC50=220.42±36.40 μM). Notably, compounds 8 and 12 exhibited the most potent α‐amylase inhibitory activity, with IC50 values of 81.28±0.00 μM and 200.60±34.65 μM, respectively. Molecular docking analysis revealed binding energies ranging from −7.53 to −5.77 kcal/mol and inhibition constants ranging from 3.00 to 58.96 μM, with compounds 9, 7, 8, 5, and 3 demonstrating the best binding energies. Subsequent MD simulation analyses indicated that all five compound formed stable complexes after 100 ns MD simulation. Consequently, these compounds hold promise as potential α‐amylase inhibitors pending successful clinical validation.
Recent Trends on Zinc Complexes Bearing Bi‐, Tri‐ and Tetra‐Dentate Schiff Base Ligands for Catalytic Ring‐Opening Polymerization of Lactides
Authors: Yadav Neeraj , Singh Chundawat Tejpal
Published: September 2024

Numerous zinc complexes based on N‐ and O‐donor Schiff‐base ligands have shown great promise in the ring‐opening polymerization (ROP) of lactides, which are cyclic dimers of lactic acid, to produce poly(lactic acid) (PLA). This is primarily because zinc is a borderline metal, making it non‐cytotoxic, inexpensive, abundant, biocompatible, and environmentally safe. Additionally, Schiff‐based ligands offer stability, stereoselectivity, desirable electronic and steric environments, and resistance to impurities. As a result, zinc complexes are easy to synthesize, colourless, have high reactivity and solubility in organic solvents, and are manageable under typical circumstances. Furthermore, these complexes are free to adopt a variety of coordination numbers since zinc does not have ligand field stabilization energy (LFSC). Zinc complexes possess high catalytic activity due to their distinctive properties, including high Lewis acidity, high electron transfer ability, stability concerning the reactive intermediate, and the ability to monitor polymerization by nuclear magnetic resonance (NMR) spectroscopy. Moreover, these complexes also have reasonable control over stereochemistry, number‐average molecular weight (Mn), and dispersity index (Ð). These advantages make it possible to produce colourless PLA with a high yield, high molecular weight, and narrow dispersity index in bulk and solvent‐based conditions.
Synthesis and Assessment of Acacia Gum‐Based Hydrogel as a Promising Novel Biopolymeric Matrix for Delivery of Ciprofloxacin
Authors: Anshul  , Tomar Garima , Meena Priyanka , Warkar Sudhir G.
Published: September 2024

In this current study, hydrogels based on acacia gum (AG), polyacrylamide (PAM), and carboxymethyl tamarind kernel gum (CMTKG) were successfully developed and ciprofloxacin (drug) incorporated into it. To optimize the hydrogel, the concentrations of crosslinker and initiator were varied, and their effects on the swelling were examined. The hydrogel was subjected to characterization techniques such as Powder X‐ray Diffraction (PXRD), Scanning Electron Microscopy (SEM), Attenuated Total Reflection‐Fourier Transform Infrared spectroscopy (ATR‐FTIR), and Thermogravimetric analysis (TGA). The hydrogel swelling and in vitro drug release were assessed in pH 1.2 and 7.4 buffer solutions. The findings revealed that an alkaline pH yielded superior results for the swelling and in vitro drug release experiments compared to an acidic pH. The drug release kinetic of the ciprofloxacin‐loaded AG/PAM/CMTKG hydrogel followed the Korsmeyer–Peppas model, demonstrating non‐fickian diffusion at pH 7.4 and fickian mechanism at pH 1.2. The pH‐dependent behavior of ciprofloxacin‐loaded AG/PAM/CMTKG hydrogel displayed its potential implications for site‐specific ciprofloxacin release.
Investigating Therapies Targeting Druggable Targets of Mitochondria: Exploring the Efficacy for the Treatment of Cancer
Authors: Kumar Goel Kapil , Rawat Pramod , Murti Yogesh , Mahajan Shriya , Kandhari Harsimrat , Kumar Bhupinder , Ranjan Dwivedi Ashish
Published: September 2024

Cancer is a growing problem that has not yet been fully harnessed. Frequent mutations make this a highly variable and challenging pathology. Interestingly, mitochondria have currently emerged as a new target for cancer therapy. A group of agents with anticancer activity, termed mitocans that encourage apoptosis through mitochondrial disruption is currently important in research. From conventional glycolytic inhibitors to recent radiolabeled compounds, mitochondrial‐targeted therapies have marked their presence in cancer. Several TCA cycle and OXPHOS inhibitors are being established for their possible anticancer properties. There are so many distinctive differences in mitochondrial structure and function between normal and cancer cells that offer the potential for the clinical use of mitochondria as targets for novel and site‐specific anticancer agents. Mitochondrial targeting can be made possible if the bioactive molecule is specifically and selectively delivered to the mitochondria of the correct cell type using cell‐specific ligands and mitochondriotropic molecules.
Green Synthesis of ZnO Nanoparticles from Dysoxylum binectariferum Fruit Extract and Assessment of Antimicrobial Potential
Authors: Sharma Venu , Kumar Gourav , Kumar Parveen , Kumar Dinesh , Nemiwal Meena
Published: September 2024

The current investigation focuses on producing zinc oxide nanoparticles (ZnO NPs) utilizing a quick, economical, and environmentally friendly approach employing aqueous fruit extracts of Dysoxylum binectariferum plant. The ZnO NPs were thoroughly characterized using P‐XRD, FTIR, SEM, EDS, and BET techniques. The synthesized nanoparticles’ anti‐bacterial properties were evaluated against Gram‐negative bacteria (E. coli and P. aeruginosa) and Gram‐positive bacteria (S. aureus and S. pyogenes). The findings indicated that the synthesized material exhibited greater efficacy against Gram‐negative bacterial infections, especially E. coli. Furthermore, the anti‐fungal activity was examined using the C. albicans strain, demonstrating that the synthesized ZnO NPs were twice as effective against C. albicans compared to the conventional medication Griseofulvin. In contrast, Griseofulvin, with a 500 μM MIC against the C. albicans pathogenic fungal strain, did not display the same level of efficacy.
Advanced Diagnostic Techniques for Scrub Typhus: From Conventional Methods to Nanotechnology Solutions
Authors: Sumit  , Gupta Shagun , Kaushal Ankur
Published: September 2024

Scrub typhus is an acute illness caused by the bacteria Orientia tsutsugamushi and is transmitted by mites. Scrub typhus propagates via infected chigger bites (larval stage). Diagnosing scrub typhus is challenging due to its ability to mimic symptoms of other febrile illnesses. Conventional methods such as Weil‐Felix, ELISA, and PCR are available for diagnosing scrub typhus. The Weil‐Felix test was formerly used in developing nations to diagnose scrub typhus, but it is not recommended since it lacks both specificity and sensitivity. IFA and ELISA are superior for detecting scrub typhus; however, they are not as effective at detecting the illness in its early stages and require convalescent sampling to confirm positive samples. However, because the Orientia tsutsugamushi serotypes differ in their genetic makeup, PCR‐based approaches have become less applicable despite their higher specificity and sensitivity. Nanomaterial‐based biosensing could help detect scrub typhus early due to its high surface area, electrical conductance, and chemical stability. This study emphasizes the need for point‐of‐care detection of this under‐diagnosed but fatal disease, emphasizing the importance of nanobiosensors in early diagnosis. The pathophysiology of scrub typhus, standard diagnostic procedures, and the critical role that nanobiosensors play in the early detection of scrub typhus are discussed.
Fast Responsive and Highly Sensitive Ethanol Gas Sensors Designed by Agar‐Laponite Hybrid Hydrogels
Authors: Saha Tanay , Appikonda Upesh Kumar , Gadige Paramesh
Published: September 2024

Laponite, a synthetic nanosilicate clay and agar, a natural polysaccharide, both imbibe large amount of water and form into hydrogels. Various physical and chemical stimuli elicit the hydrogel response, which has been applied in designing diverse sensors and biomedical systems. In this work, we exploit the change in hydrogel's ionic conductivity due to volatile organic compounds (VOCs) (e. g. ethanol) interaction with the surfaces of Laponite‐Agar hybrid hydrogel films. Gas sensing studies are carried out on silicon (Si) and flexible polyethylene terephthalate (PET) substrates by monitoring the resistance changes. Pristine Laponite hydrogel has shown increase in resistance as it interacted with the ethanol, whereas pure agar and Laponite‐Agar have shown decrease in resistance. Moreover, Laponite‐Agar gel films have exhibited high sensitivity, fast response (4 s) and recovery time (15 s) with lowest detection limit of 6 ppm. Selectivity test carried shows high ethanol sensing response and exhibited very good reproducibility. Observed responses and sensing mechanism are discussed based on changes in ionic conduction resulted due to interacting ethanol with the gel surface network structure. Present study paves the way for understanding and designing low cost, soft and flexible hydrogel gas sensors.
Photocatalysis: A Sustainable Approach for Removing Hazardous Polyaromatic Hydrocarbons
Authors: Elumalai Punniyakotti , Parthipan Punniyakotti , Sivakumar Lakshminarayanan , Thanigaivel Sundaram , Gnanasekaran Lalitha , Gao Xueke , Cui Jinjie , Moon Cheol Joo , Theerthagiri Jayaraman , Choi Myong Yong
Published: September 2024

Polycyclic aromatic hydrocarbons (PAHs) are omnipresent toxic pollutants found in numerous ecosystems, including soil, water, and living organisms. Due to their hydrophobic nature, PAHs tend to accumulate in aquatic environments, leading to high concentrations in aquatic sediments and subsequent bioaccumulation in organisms. This accumulation poses substantial risks to humans and aquatic life. Recent advances in photocatalytic methods, particularly those using nanocomposite materials, have shown promising outcomes in the degradation of PAHs. Photocatalysis, a process that uses UV and visible light to accelerate a chemical reaction, is effectively breaking these harmful compounds. This review focuses on the recent advances in the degradation of PAHs, the toxicological effects of PAHs on living organisms, and the mechanisms underlying nanocomposite‐based photocatalysis. The utilization of nanocomposite for photocatalysis is an eco‐friendly substitute to traditional methods for remediating PAH pollution in the ecosystem. This green approach using nanocomposite‐based photocatalysis offers a sustainable and effective approach for the degradation of PAHs.
Hydrogen Bond‐Assisted Macrocyclic Synthesis: An Extended Application For 4‐Hydroxybenzylamine Derivatives
Authors: Gonzalez‐Oñate Andrés , Alí‐Torres Jorge , Quevedo Rodolfo
Published: September 2024

This work involved synthesizing three N‐benzyl‐4‐hydroxybenzylamines using indirect reductive amination of aromatic aldehydes and 4‐hydroxybenzylamine. Such benzylamines’ reaction with formaldehyde produced tricyclic azacyclophanes formed by two benzylamine units joined by methylene bridges. Computational calculations established that macrocyclization was promoted by template formation stabilized by hydrogen bonds and π‐stacking.
ZnO/SrTiO3, ZnO/WO3, and ZnO/Zn2SnO4 Bilayer as Electron Transport Layers for Lead Sulfide Colloidal Quantum Dots Solar Cells
Authors: Bashir Rabia , Bilal Muhammad Kashif , Bashir Amna , Asif Sana Ullah , Peng Yicheng
Published: September 2024

In order to enhance the overall efficiency of colloidal quantum dots solar cells, it is crucial to suppress the recombination of charge carriers and minimize energy loss at the interfaces between the transparent electrode, electron transport layer (ETL), and colloidal quantum dots (CQDs) light‐absorbing material. In the current study, ZnO/SrTiO3 (STO), ZnO/WO3 (TO), and ZnO/Zn2SnO4 (ZTO) bilayers are introduced as an ETL using a spin‐coating technique. The ZTO interlayer exhibits a smoother surface with a root‐mean‐square (RMS) value of ≈ 3.28 nm compared to STO and TO interlayers, which enables it to cover the surface of the ITO/ZnO substrate entirely and helps to prevent direct contact between the CQDs absorber layer and the ITO/ZnO substrate, thereby effectively preventing efficient charge recombination at the interfaces of the ETL/CQDs. Furthermore, the ZTO interlayer possesses superior electron mobility, a higher visible light transmission, and a suitable energy band structure compared to STO and TO. These characteristics are advantageous for extracting charge carriers and facilitating electron transport. The PbS CQDs solar cell based on the ITO/ZnO/ZTO/PbS‐FABr/PbS‐EDT/NiO/Au device configuration exhibits the highest efficiency of 15.28%, which is significantly superior than the ITO/ZnO/PbS‐FABr/PbS‐EDT/NiO/Au solar cell device (PCE = 14.38%). This study is anticipated to offer a practical approach to develop ultrathin and compact ETL for highly efficient CQDSCs.
A Flexible Multifunctional Cyanoethyl‐Modified Bacterial Cellulose Nanofiber Framework for High‐Energy and High‐Power Density Aqueous Li‐Ion Batteries
Authors: Zhang Long , Ma Tao , Zhou Peng‐Hu , Yang Yi‐Wen , Lu Lei‐l. , Hu Bi‐Cheng , Yu Shu‐Hong
Published: September 2024

Aqueous rechargeable lithium‐ion batteries (ARLIBs) are extensively researched due to their inherent safety, typical affordability, and potential high energy density. However, fabricating ARLIBs with both high energy density and power performance remains challenging. Herein, based on cyanoethyl‐modified bacterial cellulose nanofibers (CBCNs), a multifunctional fast ion transport framework is developed to construct the flexible free‐standing ARLIBs with high areal loading and excellent rate performance. Benefiting from the unique merits of CBCNs, such as ultra‐high aspect ratio, excellent toughness, superior adhesion, good lithiophilicity and ideal stability, the flexible free‐standing and highly robust electrodes are fabricated and exhibit a long‐term stable cycling of 1200 cycles with a high specific capacity of 117 mAh∙g−1 at 15 C. Remarkably, the corresponding full cell with the free‐standing high mass loading (45.5 mg∙cm−2) electrodes under the condition of ultra‐low addition of battery binder demonstrates a cycle lifespan of over 1000 cycles with a specific capacity of 120 mAh∙g−1 and a capacity decay as low as 0.03% per cycle, which is far superior to those of almost all previous reports. This work provides a strategy for constructing ARLIBs with high energy density and power performance by introducing a unique fast ion transport nanofiber framework.
Modular Customized Biomimetic Nanofluidic Diode for Tunable Asymmetric Ion Transport
Authors: Chen Sifan , Meng Wentong , Tong Zheming , Chen Pu , Gao Feng , Hou Yang , Lu Jianguo , He Qinggang , Wang Haihua , Zhan Xiaoli , Zhang Qinghua
Published: September 2024

Artificial ion diodes, inspired by biological ion channels, have made significant contributions to the fields of physics, chemistry, and biology. However, constructing asymmetric sub‐nanofluidic membranes that simultaneously meet the requirements of easy fabrication, high ion transport efficiency, and tunable ion transport remains a challenge. Here, a direct and flexible in situ staged host‐guest self‐assembly strategy is employed to fabricate ion diode membranes capable of achieving zonal regulation. Coupling the interfacial polymerization process with a host‐guest assembly strategy, it is possible to easily manipulate the type, order, thickness, and charge density of each module by introducing two oppositely charged modules in stages. This method enables the tuning of ion transport behavior over a wide range salinity, as well as responsive to varying pH levels. To verify the potential of controllable diode membranes for application, two ion diode membranes with different ion selectivity and high charge density are coupled in a reverse electrodialysis device. This resulted in an output power density of 63.7 W m−2 at 50‐fold NaCl concentration gradient, which is 12 times higher than commercial standards. This approach shows potential for expanding the variety of materials that are appropriate for microelectronic power generation devices, desalination, and biosensing.
Magnetic Hydrogel Microbots for Efficient Pollutant Decontamination and Self‐Catalyzed Regeneration in Continuous Flow Systems
Authors: Pereira Veronica , Goh Zheng Xun Denver , Raja Mogan Tharishinny , Ng Li Shiuan , Das Sankar , Li Haitao , Lee Hiang Kwee
Published: September 2024

The efficient removal of organic pollutants from water is crucial for protecting human health and the ecosystem. While adsorbent‐based approaches offer advantages over traditional chemical and thermal methods, they still suffer from slow adsorption kinetics, high energy demand, and limited material lifespan. Herein, an efficient decontamination platform is introduced, using magnetic hydrogel microbots (MHMs) made from picolitre‐sized hydrogel droplets coated with multifunctional magnetic nanoparticles. This approach includes 1) dividing a droplet into smaller microbots to enhance their interaction with sample solution and 2) dynamically spinning these MHMs to generate hydrodynamic flows that actively draw pollutants toward the embedded hydrogel for capture. The MHMs show high decontamination effectiveness in both bulk and continuous flow setups, achieving ≈95% removal efficiency within 3 min. Further integrating MHMs with a non‐pressurized fluidic platform enables energy‐efficient continuous flow decontamination, removing ≥95% total organic carbon from a complex pollutant mixture at a flow rate surpassing other recent designs. Additionally, the MHMs facilitate self‐catalyzed regeneration using an environmentally friendly H2O2 precursor, allowing for long‐term and repeated usage. By enabling the unique divide‐and‐arrest decontamination of toxic pollutants, the multifunctional design holds tremendous promise for on‐site wastewater treatment to ensure safe water access for everyone, even in resource‐limited environments.
Controlled Fabrication of Unimolecular Micelles as Versatile Nanoplatform for Multifunctional Applications
Authors: Yao Xikuang , Cao Xudong , He Jiayu , Hao Linhui , Chen Haobo , Li Xin , Huang Wei
Published: September 2024

Unimolecular micelles (UMs) are nano‐sized structures that are composed of single molecules with precise composition. Compared to self‐assembled polymeric micelles, UMs possess ultra‐stable property even in complex biological environment. With the development of controllable polymerization and coupling chemistry, the preparation of narrowly monodispersed UMs with precise morphology and size has been realized, which further facilitates their multifunctional applications. After brief introduction, state‐of‐the‐art advances in the synthesis and applications of UMs are discussed with an emphasis on their bioapplications. It is believed that these UMs have great potential in future fabrication of multifunctional nanoplatforms.
Magnetically Enhanced Oxygen Evolution Reaction in Mild Alkaline Electrolytes by Building Catalysts on Magnetic Frame
Authors: Xie Ming‐Hui , Wang Hao‐Tian , Li Xian‐Jun , Han Guo‐Jun , Yang Yong‐Qiang , Shi Xin‐Yue , Lin Shi‐Yi , Miao Guo‐Xing , Yang Meng‐Hao , Fu Jing
Published: September 2024

Under large current densities, the excessive hydroxide ion (OH) consumption hampers alkaline water splitting involving the oxygen evolution reaction (OER). High OH concentration (≈30 wt.%) is often used to enhance the catalytic activity of OER, but it also leads to higher corrosion in practical systems. To achieve higher catalytic activity in low OH concentration, catalysts on magnetic frame (CMF) are built to utilize the local magnetic convection induced from the host frame's magnetic field distributions. This way, a higher reaction rate can be achieved in relatively lower OH concentrations. A CMF model system with catalytically active CoFeOx nanograins grown on the magnetic Ni foam is demonstrated. The OER current of CoFeOx@NF receives ≈90% enhancement under 400 mT (900 mA cm−2 at 1.65 V) compared to that in zero field, and exhibits remarkable durability over 120 h. As a demonstration, the water‐splitting performance sees a maximum 45% magnetic enhancement under 400 mT in 1 m KOH (700 mA cm−2 at 2.4 V), equivalent to the concentration enhancement of the same electrode in a more corrosive 2 m KOH electrolyte. Therefore, the catalyst‐on‐magnetic‐frame strategy can make efficient use of the catalysts and achieve higher catalytic activity in low OH concentration by harvesting local magnetic convection.
Oxygen Vacancy Engineering and Constructing Built‐In Electric Field in Fe‐g‐C3N4/Bi2MoO6 Z‐Scheme Heterojunction for Boosting Photo‐Fenton Catalytic Degradation Performance of Tetracycline
Authors: Wang Zhanshou , Meng Shuang , Li Jinlong , Guo Dongxuan , Fu Shanshan , Zhang Dantong , Yang Xue , Sui Guozhe
Published: September 2024

A novel Fe‐g‐C3N4/Bi2MoO6 (FCNB) Z‐scheme heterojunction enriched with oxygen vacancy is constructed and employed for the photo‐Fenton degradation of tetracycline (TC). The 2% FCNB demonstrates prominent catalytic performance and mineralization efficiency for TC wastewater, showing activity of 8.20 times greater than that of pure photocatalytic technology. Density‐functional theory (DFT) calculations and degradation experiments confirm that the formation of Fe‐N4 sites induces spin‐polarization in the material, and the difference in Fermi energy levels results in the formation of built‐in electric field at the contact interface, which facilitates the continuous generation and migration of photogenerated carriers to address the issue of insufficient cycling power of Fe (III)/Fe (II).The reactive radicals persistently target the extremely reactive sites anticipated by the Fukui function, causing the mineralization of TC molecules into “non‐toxic” compounds through processes of hydroxylation, demethylation, and deamidation. This work holds significant importance in the domain of eliminating organic pollutants from water.
In Situ Photoelectrochemical‐Induced Surface Reconstruction of BiVO4 Photoanodes for Solar Fuel Production
Authors: Cao Zhiyuan , Song Xianyin , Chen Xin , Sha Xuefeng , Tang Jiu , Yang Zhihai , Lv Yawei , Jiang Changzhong
Published: September 2024

BiVO4 has been widely concerned due to its great potential in photoelectrochemical (PEC) water splitting. However, low carrier mobilities and high recombination efficiency of photogenerated carriers impede its photocatalytic performance. Herein, an in situ PEC cyclic‐voltammetry‐induced surface reconstruction of BiVO4 photoanodes (BVO pristine) is developed with significantly enhanced efficiency for solar water splitting. A series of in situ characterizations (including in situ X‐ray diffraction, in situ Raman), together with electrochemical tests and density‐functional theory calculations, reveal that during the photoelectrical activation process, the BVO pristine surfaces undergo a crystal plane reconstruction with greatly increased {040} crystal face to promote the separation of photogenerated carriers. In addition, abundant vanadium vacancies and oxygen vacancies are also introduced into the BiVO4 surface during the crystal face reconstruction process with more favorable surface water adsorption and increased injection efficiency of photogenerated carriers. Therefore, the charge‐transfer resistance (Rct) between BVO pristine and electrolyte under AM 1.5G illumination substantially reduced from the original 15 200 to 2820 Ω after the activation. Moreover, the photocurrent density of activated BVO pristines increases more than 12 times, relative to the original BiVO4. In this work, a new horizon for in situ photoelectric activation of semiconductor photoelectrodes with significantly enhanced PEC water splitting is provided.
Application of High‐ and Low‐Reactivity Cokes in Hydrogen‐Rich Blast Furnaces
Authors: Li Chao , Ma Xingye , Bai Jinfeng , Wang Gang , Liu Yang , Sui Yuesi , Zhong Xiangyun , Xu Guozhong , Wu Shiyong
Published: September 2024

The effects of two cokes with different reactivity on the lump ore's metallurgical properties and coke's solution loss are investigated under the high‐temperature load reduction. The work used an improved test device for softening‐melting and dropping characteristics of iron ores in both CO2 and CO2H2O atmospheres. The deterioration behavior of highly reactive cokes is expounded under hydrogen‐rich conditions. High‐reactivity cokes under hydrogen‐rich conditions are more favorable for enhancing the breathability of charge and the penetration of the coke layer. However, it increased the thickness of the softening zone. High‐reactivity cokes had obvious internal and external reaction gradients. The solution loss reaction mostly occurred on the surface, with selectivity. The longitudinal stacking height, layer number, and order degree in the carbon structure decreases after the reaction. The carbon‐structure difference weakens between the shell and core. The enhancement of coke's reactivity, however, results in the significant loss of coke powders on its surface. Unreduced FeO and refractory Fe2SiO4 are more likely to appear in the droplets, which is not conducive to the reduction of Fe and the generation of slag crust in the furnace. The difficulty in separating lump ores and cokes is aggravated, and more iron‐containing charge remain in the furnace.
Steel–Steel Laminates Manufactured via Accumulative Roll Bonding
Authors: Seleznev Mikhail , Mantel Jennifer , Schmidtchen Matthias , Prahl Ulrich , Biermann Horst , Weidner Anja
Published: September 2024

Accumulative roll bonding (ARB) is a repeated cladding process in which two or more sheets of material are joined together by rolling at temperatures below recrystallization. The present review is focused on ARB of high‐alloy steels, which, among other laminated metal composites (LMCs), deliver the highest mechanical properties. After a brief description of high‐strength steels, history, and state of the art of LMCs, the principal roll bonding mechanism is explained. Further, the methodology of ARB of steels and variable parameters (stacking, temperature, etc.) are discussed. Known examples of steel–steel laminates are summarized with respect to their rolling temperature and mechanical properties. Further, the main toughening mechanisms of steel‐based LMCs are listed. The most promising candidates of high‐alloy steel laminates are presented in more detail. The important deformation mechanisms of twinning‐ and transformation‐induced plasticity (TWIP and TRIP) high‐alloy steels are explained. Microstructural changes and layer bonding as well as mechanical properties and damage behavior of two‐ and four‐layered TRIP/TWIP steel laminates are illustrated, including some specific phenomena, such as deformation lenses. Finally, by summarizing the analyzed data on steel laminates, conclusions and outlook are formulated.
Unveiling Inequality of Atoms in Ultrasmall Pt Clusters: Oxygen Adsorption Limited to the Uppermost Atomic Layer
Authors: Loi Federico , Bignardi Luca , Perco Deborah , Berti Andrea , Lacovig Paolo , Lizzit Silvano , Kartouzian Aras , Heiz Ulrich , Alfè Dario , Baraldi Alessandro
Published: September 2024

The concept of preferential atomic and molecular adsorption site is of primary relevance in heterogeneous catalysis. In the case of ultrasmall size‐selected clusters, distinguishing the role played by each atom in a reaction is extremely challenging due to their reduced size and peculiar structures. Herein, it is revealed how the inequivalent atoms composing graphene‐supported Pt12 and Pt13 clusters behave differently in the photoinduced dissociation of O2, with only those in the uppermost layer of the clusters being involved in the reaction. In this process, the epitaxial graphene support plays a fundamental active role: its corrugation and pinning induced by the presence of the clusters are crucial for defining the preferential adsorption site on the Pt atomic agglomerates, facilitating the lateral diffusion of physisorbed oxygen at a distance that induces its selective adsorption in the topmost layer of the clusters, and inducing an inhomogeneous charge distribution within the clusters which directly affects the O2 adsorption. The inhomogeneous oxidation of the clusters is resolved by means of synchrotron‐based X‐ray photoelectron spectroscopy and supported by ab initio density functional theory calculations. The possibility to identify the active sites on Pt clusters induced by cluster–support interactions has the potential to enhance the experimentally supported design of nanocatalysts.
Physiochemical, Pasting, and Morphological Properties of Native Oat Starch and Citrate‐Modified Oat Starch
Authors: Alexander Vanessa , Beta Trust , Malunga Lovemore Nkhata
Published: September 2024

Starch is widely utilized in the food industry, but its native form may have limitations in terms of functionality and nutrition. This study examines the characteristics of native oat starch and explores its potential for chemical modification by cross‐linking, with the aim of gaining a deeper understanding of its functionality. Citrate‐modified oat starch (COS) is generated by cross‐linking native oat starch (NOS) with citric acid. Chemical analysis reveals distinctions between NOS and COS, notably in terms of resistant starch content, which is elevated in COS. X‐ray diffraction (XRD) results reveal that NOS exhibits crystalline peaks characteristic of A‐type starch, distinguishing it from COS. In contrast, COS displays absent crystalline peaks, attributed to cross‐linking. Swelling factor, solubility, and paste clarity along with most of the pasting properties are found to be significantly lower for COS compared to NOS. The scanning electron microscopic images show how cross‐linking can alter the morphology of the NOS. The findings from this investigation highlight significant distinctions between NOS and COS. The cross‐linking process successfully enhances the resistant starch content and imparted distinctive properties absent in native oat starch. Consequently, there is potential for incorporating modified oat starch as a food ingredient.
Convergence rates of Metropolis–Hastings algorithms
Authors: Brown Austin , Jones Galin L.
Published: September 2024

Given a target probability density known up to a normalizing constant, the Metropolis–Hastings algorithm simulates realizations from a Markov chain which are eventual realizations from the target probability density. A key element for ensuring a reliable Metropolis–Hastings simulation experiment is understanding how quickly the simulation will generate a representative sample from target density. This corresponds to understanding the convergence properties of the Metropolis–Hastings Markov chain. State‐of‐the‐art methods for convergence analysis of Metropolis–Hastings algorithms are considered and reviewed. Practically important topics are discussed for an interdisciplinary audience. This includes convergence properties in high dimensions, proper tuning, initialization, and limitations of current convergence analyses.

This article is categorized under:

Statistical and Graphical Methods of Data Analysis > Markov Chain Monte Carlo

Statistical and Graphical Methods of Data Analysis > Monte Carlo Methods

Statistical and Graphical Methods of Data Analysis > Bayesian Methods and Theory
The Protest that Never Was: Silencing Political Activism at CERN Before and During the Vietnam War
Authors: Hof Barbara , Ienna Gerardo , Turchetti Simone
Published: September 2024

This article focuses on the history of CERN from the perspective of its staff’s political initiatives. Notwithstanding the extensive coverage that the international physics laboratory has received, historians have yet to document these campaigns in full. What follows explains this omission by focusing on provisions that muzzled the activists’ initiatives. Since 1955, staff rules and regulations elaborated by CERN managers aimed at curbing efforts to promote political campaigning in the laboratory. Designed to safeguard its special legal status as an international organization in Switzerland devoted to scientific collaborations, these provisions strengthened its public image as a “sanctuary” for pure physics. With the war in Vietnam in full swing, however, it became more difficult to bottle in political initiatives, especially as CERN staff contributed to anti-war protests and supported local solidarity groups. At this critical junction, the laboratory managers muffled campaigns targeting Nobel-prize winning physicist Murray Gell-Mann, and made it seem as if a petition against the US military strikes in Vietnam signed by its staff was never put together.