bluuebunny/crossref_metadata_2025 huggingface dataset:
Controlling Soliton Pulse Propagation in Inhomogeneous Optical Waveguides With Dual‐Power Law Refractive Index
Authors: Mrzog Alaofi Zaki , Shaalan M. A. , Ali Khalid K.
Published: October 2024

This study focuses on the manipulation of soliton parameters within optical waveguides characterized by a dual‐power law refractive index, drawing similarities with published papers. The precise management of solitons holds significant importance in the field of fiber‐optical communication. While previous research has primarily concentrated on modifying soliton attributes such as amplitude and width, comparatively less attention has been dedicated to controlling the wave speed of solitons. In order to bridge this gap, the researchers adopted the employment of the nonlinear Schrödinger equation with time‐dependent dispersion and two power‐law nonlinearities, mirroring similar approaches found in published literature. By employing this methodology, the researchers successfully achieved active control over the wave speed of solitons in non‐uniform optical waveguides. To effectively handle the inherent complexities of the nonlinear system, two well‐established techniques, namely, the generalized Kudryashov method and the simple equation method, were utilized to derive solutions. These techniques have been previously employed and demonstrated in published papers, further enhancing the validity and reliability of the research findings. We discuss the traveling wave solutions by finding the fixed points of the dynamical planar system.
Advanced Beamforming and Multi‐Access Edge Computing: Empowering Ultra‐Reliable and Low‐Latency Applications in 6G Networks
Authors: Gunasekaran K. , Dhanasekaran S. , Kumar R. Vinod , Aswath S.
Published: October 2024

6G technology is expected to transform communications by allowing the Internet of Everything, representing a huge advance in 2030. While B5G has not yet been established, various nations are actively working on 5G, but certain research groups are presently devoting their attention to the creation of 6G technologies. The upcoming 6G networks promise higher quality of service (QoS) features, including virtual reality and holographic communications. Multi‐Access Edge Computing (MEC) and, in particular, the offloading idea are key components of 6G innovation that enable resource‐intensive application design. If the wireless link used for computational offloading is inefficient, MEC's true potential can be impeded. Intelligent beamforming and MEC have garnered attention recently. Systematically optimizing the wireless communication environment, these developments improve connectivity between user equipment (UE) and base station (BS). By increasing the electrical charge of the reflectable signal, intelligent beamforming increases the range and efficacy of Back Communication. Particularly, this study assesses how well the MEC structure performs in urban microcellular settings when intelligent beamforming is used in communications. It has been demonstrated that the use of Intelligent Reflecting Surfaces (IRS) greatly reduces spectrum and energy usage. This study's results are implemented in Python software. Our suggested strategy shows better latency compared to other optimization methods and shorter task completion times than traditional methods. When compared to conventional techniques, the suggested MEC‐enabled network showcasing lower latency (4.9 ms) and efficient network congestion management and task completion time (30 ms) demonstrates a significant performance. These results highlight how intelligent beamforming and MEC have a lot of potential to shape the architecture of 6G networks in the future.
Metabolic Characterization of Vamorolone in Human Liver Microsomes: Implications for Anti‐Doping
Authors: Li Zhongquan , Liu Bing , Wang Yirang , Yu Chunyang , Xu Xin , Chen Peijie
Published: October 2024

Vamorolone, a potential alternative to conventional glucocorticoids, shows significant promise in sports medicine due to its reduced side effects and superior pharmacodynamic properties. This study aims to investigate the metabolic characteristics of this novel synthetic cyclodextrin‐steroid anti‐inflammatory drug and elucidate the metabolic pathways in human liver microsomes (HLMs) in vitro, thereby providing a scientific basis for assessing its potential risks for athletes. All compounds are detected by liquid chromatography‐high resolution mass spectrometry (LC‐HRMS) and metabolite identification was performed using Compound Discoverer 3.3 software. In the HLMs model, 12 metabolites of vamorolone are successfully identified, including 10 phase I metabolites and 2 phase II metabolites. Among these, the reduction metabolite M1 exhibited the highest peak area, indicating it as one of the primary metabolic pathways. The dehydrogenated compound M2 had the second highest peak area, further elucidating the metabolic characteristics of vamorolone. This study systematically identifies the metabolite structures of vamorolone in HLMs and provide crucial data for the pharmacokinetics and biomarker research of this drug. The findings not only enhance the understanding of its metabolic mechanisms but also offer a scientific basis for evaluating its safety and efficacy in sports medicine. Meanwhile, these discoveries can contribute to better regulation and control of Vamorolone's use in competitive sports, ensuring fairness in competitions.
Does Clade Density Constrain Geographical Range Evolution?
Authors: Pie Marcio R. , Divieso Raquel , Caron Fernanda S.
Published: October 2024

The role of biotic interactions, such as interspecific competition, in driving geographical range evolution is still poorly understood. For instance, lineages distributed across regions with a large number of potential competitors might experience some level of geographical packing of their range limits, so that changes in their geographical distributions are hampered. Conversely, a large number of competitors could instead lead to accelerated rates of geographical range evolution, with lineages shifting their ranges to avoid competition. We recently introduced the concept of clade density (CD; the sum of the areas of overlap between a species and other members of its higher taxon, weighted by their phylogenetic distance) as a proxy of the potential for interspecific competition across the geographical distribution of a given species. In this study, we used a large dataset with 5936 terrestrial vertebrate species to test whether CD is significantly associated with variation in the rate of geographical range evolution using two alternative approaches. First, we tested if there is a significant relationship between CD and the geographical distance between sister species. In addition, we estimated tip rates of geographical range evolution and tested if they were consistently associated with variation in CD. We found no evidence for an effect of CD on geographical range evolution in either of the tested approaches, even after accounting for phylogenetic uncertainty. These results are inconsistent with equilibrial models of species diversification and suggest that interspecific competition might not play a pervasive role in geographical range evolution of terrestrial vertebrates.
Co‐Occurrence Patterns Do Not Predict Mutualistic Interactions Between Plant and Butterfly Species
Authors: Menares Esteban , Saíz Hugo , Schenk Noëlle , de la Riva Enrique G. , Krauss Jochen , Birkhofer Klaus
Published: October 2024

Biotic interactions are crucial for determining the structure and dynamics of communities; however, direct measurement of these interactions can be challenging in terms of time and resources, especially when numerous species are involved. Inferring species interactions from species co‐occurrence patterns is increasingly being used; however, recent studies have highlighted some limitations. To our knowledge, no attempt has been made to test the accuracy of the existing methods for detecting mutualistic interactions in terrestrial ecosystems. In this study, we compiled two literature‐based, long‐term datasets of interactions between butterflies and herbaceous plant species in two regions of Germany and compared them with observational abundance and presence/absence data collected within a year in the same regions. We tested how well the species associations generated by three different co‐occurrence analysis methods matched those of empirically measured mutualistic associations using sensitivity and specificity analyses and compared the strength of associations. We also checked whether flower abundance data (instead of plant abundance data) increased the accuracy of the co‐occurrence models and validated our results using empirical flower visitation data. The results revealed that, although all methods exhibited low sensitivity, our implementation of the Relative Interaction Intensity index with pairwise null models performed the best, followed by the probabilistic method and Spearman's rank correlation method. However, empirical data showed a significant number of interactions that were not detected using co‐occurrence methods. Incorporating flower abundance data did not improve sensitivity but enhanced specificity in one region. Further analysis demonstrated incongruence between the predicted co‐occurrence associations and actual interaction strengths, with many pairs exhibiting high interaction strength but low co‐occurrence or vice versa. These findings underscore the complexity of ecological dynamics and highlight the limitations of current co‐occurrence methods for accurately capturing species interactions.
Myocardial inflammation is associated with impaired mitochondrial oxidative capacity in ischaemic cardiomyopathy
Authors: Borger Julius , Zweck Elric , Moos Constanze , Horn Patrick , Voß Fabian , Schultheiss Heinz‐Peter , Møller Jacob Eifer , Boeken Udo , Aubin Hug , Lichtenberg Artur , Kelm Malte , Roden Michael , Polzin Amin , Westenfeld Ralf , Szendroedi Julia , Scheiber Daniel
Published: October 2024

Aims

Myocardial inflammation and impaired mitochondrial oxidative capacity are hallmarks of heart failure (HF) pathophysiology. The extent of myocardial inflammation in patients suffering from ischaemic cardiomyopathy (ICM) or dilated cardiomyopathy (DCM) and its association with mitochondrial energy metabolism are unknown. We aimed at establishing a relevant role of cardiac inflammation in the impairment of mitochondrial energy production in advanced ischaemic and non‐ischaemic HF.

Methods

We included 81 patients with stage D HF (ICM, n = 44; DCM, n = 37) undergoing left ventricular assist device implantation (n = 59) or heart transplantation (n = 22) and obtained left ventricular tissue samples during open heart surgery. We quantified mitochondrial oxidative capacity, citrate synthase activity (CSA) and fibrosis and lymphocytic infiltration. We considered infiltration of >14 CD3+ cells/mm2 relevant inflammation.

Results

Patients with ICM or DCM did not differ regarding age (61.5 ± 5.7 vs. 56.5 ± 12.7 years, P = 0.164), sex (86% vs. 84% male, P = 0.725), type 2 diabetes mellitus (34% vs. 18%, P = 0.126) or chronic kidney disease (8% vs. 11%, P = 0.994). ICM exhibited oxidative capacity reduced by 23% compared to DCM (108.6 ± 41.4 vs. 141.9 ± 59.9 pmol/(s*mg), P = 0.006). Maximum production of reactive oxygen species was not significantly different between ICM and DCM (0.59 ± 0.28 vs. 0.69 ± 0.36 pmol/(s*ml), P = 0.196). Mitochondrial content, detected by CSA, was lower in ICM (359.6 ± 164.1 vs. 503.0 ± 198.5 nmol/min/mg protein, P = 0.002). Notably, relevant inflammation was more common in ICM (27% vs. 6%, P = 0.024), and the absolute number of infiltrating leucocytes correlated with lower oxidative capacity (r = −0.296, P = 0.019). Fibrosis was more prevalent in ICM (20.9 ± 21.2 vs. 7.2 ± 5.6% of area, P = 0.002), but not associated with oxidative capacity (r = −0.13, P = 0.327).

Conclusions

More than every fourth ICM patient with advanced HF displays myocardial inflammation in the range of inflammatory cardiomyopathy associated with reduced mitochondrial oxidative capacity. Future studies may evaluate inflammation in ICM at earlier stages in standardised fashion to explore the therapeutic potential of immunosuppression to influence trajectories of HF in ICM.
Characterizing dynamic tumor–immune interactions in lung adenocarcinoma through orthotopic allograft modeling
Authors: Shi Mingjun , Dong Tianqi , Lin Jiaming , Huang Liu , Zhang Huixia , Sun Shuguo
Published: October 2024

The major clinical challenge in lung cancer immunotherapy is drug resistance. Therefore, establishing efficient orthotopic lung cancer mouse models to explore the mechanisms of drug immunotherapy resistance is highly important. In this study, we generated multiple fluorescently labeled lung adenocarcinoma cell lines from a genetically engineered KPZ mice model. Orthotopic transplantation of the primary 1F3 cell line induced a strong immune response, causing many small tumors to disappear, but some tumors evaded the immune attack and eventually formed large tumors. Tumor microenvironment analysis demonstrated that M2 macrophages play key roles in the immune response. Further mechanistic studies revealed that the chemokine CCL7 promoted the infiltration of M2 macrophages to facilitate immune escape, thereby promoting tumor growth in the orthotopic mouse model. Moreover, CCL7 levels were elevated in human lung cancer biopsies and positively correlated with M2 macrophage infiltration, and high CCL7 levels predicted advanced pathological stage and poor survival in lung cancer patients. Overall, we established a visualized and orthotopic mouse model with fluorescently labeled cells to better dissect the tumor microenvironment of lung cancer and define the critical role of CCL7 in promoting M2 macrophage polarization and tumorigenesis, providing new preclinical tools and potential targets for lung cancer immunotherapy.
Borderline Range Determined Using Data From Validation Study of Alternative Methods for Skin Sensitization: ADRA, IL‐8 Luc Assay, and EpiSensA
Authors: Kasahara Toshihiko , Yamamoto Yusuke , Nakashima Natsumi , Imamura Mika , Mizumachi Hideyuki , Suzuki Sho , Aiba Setsuya , Kimura Yutaka , Ashikaga Takao , Kojima Hajime , Ono Atsushi , Matsumoto Kazuhiko
Published: October 2024

Most predictive models that use alternatives to animal experiments divide judgements into two classes with a cutoff value for each model. However, if the results of alternative methods are close to the cutoff values, the true result may be ambiguous because of variability in the data. Therefore, the OECD GL497 uses a judgement method that establishes a borderline range (BR) around a cutoff value using a statistical method. However, because there is no detailed description of how the BR is calculated, we clarified two specific points. The scale‐constant correction method was used to calculate the median absolute deviation (MAD) around the median. In addition, the bottom‐raised transformation method was used when the data were “0” because calculation of the BR requires that all data are logarithmic. Indeed, the BRs for the amino acid derivative reactivity assay (ADRA), interleukin‐8 reporter gene assay (IL‐8 Luc), and epidermal sensitization assay (EpiSensA) were calculated using data from each validation study. The results showed that the BR for ADRA and IL‐8 Luc ranged from 4.1 to 5.9 and 1.25 to 1.57, respectively. Furthermore, the BRs of four genes (ATF3, GCLM, DNAJB4, and IL‐8) evaluated using EpiSensA ranged from 10.71 to 21.02, 1.64 to 2.45, 1.61 to 2.52, and 3.11 to 5.16, respectively. The difference (deviation) between the lower and upper BR limits and cutoff value for each alternative method were comparable to those of the alternative methods listed in the guidelines (DPRA, KerarinoSens, and h‐CLAT) and thus were considered as adequate.
Effects of MDA‐19 on Zebrafish Larval Behavior: Perspectives From Neurodevelopment, Oxidative Stress, and Metabolomics
Authors: Xu Boyang , Yan Jun , Zhou Yangtao , Zhang Feng , Wang Binjie , Wang Jiye , Wu Yuanzhao , Xu Yu
Published: October 2024

As global regulations on synthetic cannabinoids tighten, illicit vendors increasingly turn to new structures of synthetic cannabinoids to evade legal scrutiny. MDA‐19, a novel synthetic cannabinoid, exhibited significant agonistic effects on type 2 cannabinoid receptors in vivo and showed emerging trends of abuse in illicit markets. However, research on the toxicological effects of MDA‐19 remains scarce. In this study, we examined the effects of MDA‐19 on neurodevelopment, behavior, oxidative stress, and metabolomics by exposing zebrafish embryos to MDA‐19 solutions with concentrations of 1, 10, and 20 mg/L over 5 days. Results revealed that exposure to 10 and 20 mg/L of MDA‐19 accelerated hatching in zebrafish embryos but led to reduced body length without affecting mortality or malformation. Furthermore, exposure to all concentrations of MDA‐19 resulted in diminished swimming ability and reduced activity time in zebrafish. Transgenic zebrafish (hb9‐GFP) exposed to MDA‐19 exhibited impaired development of spinal motor neurons. Notably, exposure to 20 mg/L MDA‐19 increased the levels of reactive oxygen species (ROS) in zebrafish and elevated the activity of antioxidant enzymes such as superoxide dismutase (SOD) and catalase (CAT), while the levels of the lipid oxidation product malondialdehyde (MDA) remained unaffected. Nontargeted metabolomics analyses showed that MDA‐19 interfered with multiple metabolic pathways affecting energy metabolism, such as alanine, aspartate, and glutamate metabolism; the citric acid cycle (TCA cycle), pantothenate, and coenzyme A biosynthesis; and purine metabolism. In conclusion, the present study provided the essential evidence for the neurotoxic effects of MDA‐19, which was associated with impaired neurodevelopment, dysregulation of oxidative stress homeostasis, and altered energy metabolism.
Enhancing sustainability and power generation from sewage‐driven air‐cathode microbial fuel cells through innovative anti‐biofouling spacer and biomass‐derived anode
Authors: Almasri Radwan A. , Barakat Nasser AM , Irfan Osama M
Published: October 2024

Background

Recently, the concept of the membrane‐less microbial fuel cell (MFC) has gained traction to avoid the high internal resistance that is created upon utilizing conventional membranes. Nevertheless, an overlooked problem arises from the ingress of oxygen from the cathode side into the anolyte solution, fostering the formation of biofilms by aerobic microorganisms on the cathode surface. This biofilm layer poses a formidable impediment, leading to cell disconnection. Moreover, low surface area of conventional anodes is another important issue behind the low power density generation. In this research, a novel approach to circumvent biofilm formation and achieve stable and high‐power‐density output from MFCs by harnessing a commercial antibacterial spacer is introduced.

Results

Air‐cathode, sewage‐driven MFCs showed continuous power generation without the need for external microorganisms. Conversely, the absence of the innovative membrane resulted in a catastrophic power breakdown after 125 h of operation due to the formation of a dense biofilm layer on the cathode. Through the utilization of the proposed membrane strategy, stable power density output of 100 ± 8, 135 ± 11 and 142 ± 10 mW m−2 with carbon cloth, carbon paper and carbon felt anodes, respectively, was achieved. Moreover, a novel anode is introduced from graphitization of grape tree branches. The proposed anode could increase the generated power to 516 ± 17 mW m−2 from the sewage‐driven air‐cathode MFC, more than three times compared to the best conventional anode, carbon felt.

Conclusion

This study provides significant solutions for sustainability, low‐performance and high‐cost problems of microbial fuel cells. © 2024 Society of Chemical Industry (SCI).
CuI–Zn(OAc)2 Catalyzed Selective CC Bond Cleavage of 1,3‐Diketones/β‐Ketoester for the Formation of Quinazolin‐4(3H)‐Ones: A Fast, Solvent‐Free, Synthetic Strategy Under Microwave Irradiation
Authors: Kausar Nazia , Afzal Mohd , Alarifi Abdullah , Al Masum Abdulla
Published: October 2024

CuI–Zn(OAc)2 catalyzed a new, fast, solvent‐free strategy for the synthesis of quinazolin‐4(3H)‐ones via selective scission of CC bond of the 1,3‐diketone (both cyclic and acyclic) and β‐ketoester was achieved under microwave irradiation. In contrast to the frequently applied synthetic strategy that involves cyclization‐oxidation sequence of anthranilamides (2‐aminobenzamides) with various aldehydes or benzyl alcohols, here, anthranilamide reacts with β‐ketoester/1,3‐diketo compounds in presence of CuI‐Zn(OAc)2 catalyst to form quinazolin‐4(3H)‐ones scaffold through an uncommon CC bond cleavage under solvent‐free mild conditions with excellent yields. Besides, this method displays its capacity for gram‐scale reactions.
Effects of energy‐gathered and energy‐divergent ultrasound on structure, DNA extraction and adulterated quantification of sweet potato vermicelli and its starch
Authors: Muyembe Diana Kavidia , Zhang Miao , Sun Hong‐Nan , Mu Tai‐Hua
Published: October 2024

BACKGROUND

The identification of adulterated sweet potato vermicelli faces significant challenges, seriously hindering the development of the vermicelli industry. Herein, we investigate effects of energy‐gathered ultrasound (EGU) and energy‐divergent ultrasound (EDU) (30, 40 and 50 W  L−1) on structure, DNA extraction and adulterated quantification of sweet potato vermicelli and its starch, thereby exploring their potential in adulteration of sweet potato vermicelli.

RESULTS

EGU‐assisted modified cetyltrimethylammonium bromide (CTAB) protocol with β‐mercaptoethanol significantly improved DNA extraction from sweet potato vermicelli (223.7–249.2 ng μL−1) and its starch (133.4–186.4 ng μL−1), followed by EDU‐assisted DNA extraction from sweet potato vermicelli (115.1–209.3 ng μL−1) and its starch (33.4–61.0 ng μL−1). Both EGU and EDU treatments resulted in the destruction of microstructure and crystalline structure, as well as changes in pasting and thermal properties of sweet potato vermicelli and its starch. Real‐time polymerase chain reaction (PCR) amplification results revealed that EGU and EDU enhanced the efficiency of DNA amplification, and EDU showed smaller cycle threshold (Ct) values than EGU. In addition, EDU‐assisted CTAB protocol combined with real‐time PCR could detect levels of less than 1% of cassava and maize starches in sweet potato vermicelli.

CONCLUSION

EDU‐assisted CTAB protocol combined with real‐time PCR shows promise as a sensitive and reliable analytical tool for vermicelli adulteration. © 2024 Society of Chemical Industry.
Finite‐time stability and numerical approximations of fractional neutral delay systems involving proportional Caputo derivative
Authors: Makhlouf Abdellatif Ben , Nagy A. M.
Published: October 2024

This paper deals with a class of fractional neutral delay systems involving proportional Caputo derivative. Maintaining the finite‐time stability of fractional‐order systems is a major challenge, as their capacity to mimic complex dynamics draws more attention to them. Therefore, the paper presents a novel finite‐time stability criterion based on the Banach fixed‐point theorem. A decomposition formula for proportional Caputo derivative is provided. This formula allows us to derive a new numerical technique for efficiently solving the proposed problem. Finally, extensive numerical results are performed to illustrate and validate the proposed theoretical results.
Alle Eier in einen Korb oder nicht
Authors: Nieder Michael , Popp Tobias
Published: October 2024

Ein europäisches Patent schützt eine Erfindung in vielen Ländern. Mit dem neuen Einheitspatent gilt der Schutz bei geringeren Gebühren in einem bestimmten Territorium. Wie Unternehmen von der Entwicklung des europäischen Patentrechts profitieren, zeigen Beispiele aus der Pharmabranche.
Kontrollierte Reinheit
Authors: Hupach Sascha
Published: October 2024

Reinstwasser, Aqua purificata, unterliegt strengen Kontrollen. Das Gleiche gilt für die Anlagen, in denen es hergestellt wird. Seine Qualität lässt sich beispielsweise via Online‐ oder Prozessanalyse prüfen. Dazu sind Analysatoren nötig, die empfindlich und spezifisch die geforderten Parameter erfassen.
Semiempirische Quantenchemiemethoden/Trendbericht Theoretische Chemie 2024 (2/3)
Authors: Bannwarth Christoph
Published: October 2024

Zeitabhängige Simulationen der Elektronendynamik gewinnen für optische Materialien und lichtinduzierte Photoreaktionen an Gewicht. Verständliche visuelle Ergebnisdarstellungen und moderne effiziente Rechenverfahren helfen dabei, die Technik zu verbreiten. Renaissance der Semiempirik: In jüngerer Zeit tragen semiempirische Methoden wieder vermehrt dazu bei, die Vorhersagekraft quantenchemischer Simulationen zu steigern. Dichtefunktionaltheorie: Auf der Suche nach einem universellen Austauschkorrelationsfunktional sind mathematisch flexible Ansätze für Hybridfunktionale besonders vielversprechend, etwa lokale Hybridfunktionale oder Hybridfunktionale mit lokaler Reichweitenseparierung.
Nobelpreis für Chemie 2024: Proteine falten und entwerfen
Authors: Meiler Jens , Schoeder Clara
Published: October 2024

David Baker, Nobelpreisträger für Chemie 2024, hat mit seiner Gruppe zur Jahrtausendwende die Software Rosetta geschaffen. Sie findet Aminosäuresequenzen, um Proteinstrukturen zu bauen. Wie das geht, was sich damit anfangen lässt und wie es war, beim Durchbruch dabei zu sein – das erzählen ein ehemaliger Postdoktorand Bakers und eine Forscherin, die Proteindesign für ihre Forschung nutzt.
Theoretical Perspective on the Sensing Mechanism of a Pyrazinium‐Based Fluorescent Probe Towards 2,4,6‐Trinitrophenol
Authors: Lv Meiheng , Wang Tingting , Zhang Yuhang , Cai Zexu , Gao Yue , Yan Feng , Zhang Yifan , Song Jiaqi , Liu Jianyong
Published: October 2024

Rapid detection of chemical explosives plays a critical role in national security and public safety. An in‐depth study of the sensing mechanism is particularly urgent for the development of highly efficient, sensitive, and selective chemical sensors for the precise detection of chemical explosives. Density functional theory (DFT) and time‐dependent DFT approaches were used in this work to examine the sensing mechanism of a novel fluorescent probe 1‐benzyl‐3,5‐di (thiophen‐2‐yl)pyrazin‐1‐ium bromide (BTPyz) for the detection of 2,4,6‐trinitrophenol (TNP). A comprehensive theoretical exploration was carried out, and a different interaction mode between the probe and TNP from that in the original experiment was proposed. The π–π stacking was established to be the recognition interaction between BTPyz and TNP anion, and the active site was determined from the three potential sizes according to the Gibbs free energy analysis results. The rationality of the reaction mode and the π–π stacking product between the BTPyz and TNP (BTN) was further confirmed by the fluorescence properties (absorption and emission spectra). According to the findings of frontier molecular orbitals (FMOs), photoinduced electron transfer (PET) is the intrinsic mechanism through which TNP quenches the probe's fluorescence.
Using PBPK modeling to supplement clinical data and support the safe and effective use of dolutegravir in pregnant and lactating women
Authors: Ning Jia , Pansari Amita , Rowland Yeo Karen , Heikkinen Aki T. , Waitt Catriona , Almond Lisa M.
Published: October 2024

Optimal dosing in pregnant and lactating women requires an understanding of the pharmacokinetics in the mother, fetus, and breastfed infant. Physiologically‐based pharmacokinetic (PBPK) modeling can be used to simulate untested scenarios and hence supplement clinical data to support dosing decisions. A PBPK model for the antiretroviral dolutegravir (mainly metabolized by UGT1A1) was verified using reported exposures in non‐pregnant healthy volunteers, pregnant women, and the umbilical cord, lactating mothers, and breastfed neonates. The model was then applied to predict the impact of UGT1A1 phenotypes in extensive (EM), poor (PM), and ultra‐rapid metabolizers (UM). The predicted dolutegravir maternal plasma and umbilical cord AUC in UGT1A1 PMs was 1.6‐fold higher than in EMs. The predicted dolutegravir maternal plasma and umbilical cord AUC in UGT1A1 UMs mothers was 1.3‐fold lower than in EMs. The predicted mean systemic and umbilical vein concentrations were in excess of the dolutegravir IC90 at 17, 28, and 40 gestational weeks, regardless of UGT1A1 phenotype, indicating that the standard dose of dolutegravir (50 mg q.d., fed state) is generally appropriate in late pregnancy, across UGT1A1 phenotypes. Applying the model in breastfed infants, a 1.5‐, 1.7‐, and 2.2‐fold higher exposure in 2‐day‐old neonates, 10‐day‐old neonates, and infants who were UGT1A1 PMs, respectively, compared with EMs of the same age. However, it should be noted that the exposure in breastfed infants who were UGT1A1 PMs was still an order of magnitude lower than maternal exposure with a relative infant daily dose of <2%, suggesting safe use of dolutegravir in breastfeeding women.
Functional Metallocenes as Cofactors Promote the Catalytic Performance of Mimetic Enzymes
Authors: Zhang Liyuan , Zhao Yan , Kong Weiheng , Zhang Hui , Zang Lin , Zhao Mingzhu , Zhang Jingchen , Kong Rong‐mei , Zhang En‐Sheng , Qu Fengli , Tan Weihong
Published: October 2024

Coenzymes (cofactors) are essential for bio‐redox reactions, group transfer reactions, and heterogeneous reactions of bio‐enzymes, as well as the auxiliary transfer of electrons or atoms to promote bio‐enzyme activity. However, when mimetic enzymes are scaled to the micro or nanoscale levels, both the absence of cofactor activity and the presence of migrating internal atoms cause self‐depletion, eventually limiting sustained usage. Herein, cofactor regulation, a key issue long neglected in traditional mimetic enzyme construction is addressed. In particular, the construction of a mimetic enzyme with monomeric ferrocene is reported. The artificial enzyme consists of both a catalytic center (Fe2+/3+) and a proximate structural unit (functional cyclopentadienyl). The reducing properties of cyclopentadienyl are used as a cofactor to decrease activation energy required to catalyze Fe3+ to Fe2+, lower energy barriers to increase recycling, and, finally, promote electron transfer. This ferrocene‐based mimetic enzyme can achieve non‐depletion cycle catalysis by keeping the structures and properties of the enzyme constant after the catalytic reaction. Thus, this in situ self‐assembly construction of mimetic enzymes using functionalized proximate structural units as cofactors offers a niche concept to solve the predicament of self‐depletion such as that seen in traditional mimetic enzymes.
Engineering Steep Subthreshold Swings in High‐Performance Organic Field‐Effect Transistor Sensors
Authors: Wang Yiru , Huang Wanxin , Li Jiahao , Liu Shanshuo , Fu Jingwei , Wang Le , Wang Haotian , Li Wen , Xie Linghai , Ling Haifeng , Huang Wei
Published: October 2024

Organic field‐effect transistor (OFET)‐based sensors have gained considerable attention for information perception and processing in developing artificial intelligent systems owing to their amplification function and multiterminal regulation. Over the last few decades, extensive research has been conducted on developing OFETs with steep subthreshold swings (SS) to achieve high‐performance sensing. In this review, based on an analysis of the critical factors that are unfavorable for a steep SS in OFETs, the corresponding representative strategies for achieving steep SS are summarized, and the advantages and limitations of these strategies are comprehensively discussed. Furthermore, a bridge between SS and OFET sensor performance is established. Subsequently, the applications of OFETs with steep SS in sensor systems, including pressure sensors, photosensors, biochemical sensors, and electrophysiological signal sensors. Lastly, the challenges faced in developing OFET sensors with steep SS are discussed. This study provides insights into the design and application of high‐performance OFET sensor systems.
The Interfacial Ni/Fe─O─Y Bonds Contribute to High‐Efficiency Water Splitting
Authors: Hui Zhen Xin , Li Hui , Chen Zhi Wen , Wen Zi , Wang Guo Yong , Singh Chandra Veer , Yang Chun Cheng , Jiang Qing
Published: October 2024

Developing economical and efficient electrocatalysts is critical for hydrogen energy industrialization through water electrolysis. Herein, a novel dual‐site synergistic NiFe/Y2O3 hybrid with abundant interfacial Ni/Fe─O─Y bonds is designed by density functional theory (DFT) simulations. In situ Raman spectra combined with DFT calculations reveal that the interfacial Ni/Fe─O─Y units greatly promote H2O dissociation and optimize the adsorption of both H* and oxygen species, achieving excellent activity and durability for hydrogen evolution reaction. As expected, NiFe/Y2O3 exhibits a low overpotential of 27 mV at 10 mA cm−2 and robust stability of over 200 h at 1000 mA cm−2, and also outstanding water splitting performance with a low cell voltage of 1.64 V at 100 mA cm−2, showing significant potential for real‐world applications.
Unlocking the Activity of Molecular Assemblies for CO2 Electroreduction in Zero‐Gap Electrolysers via Catalyst Ink Engineering
Authors: Pellumbi Kevinjeorjios , Kräenbring Mena‐Alexander , Krisch Dominik , Wiesner Wiebke , Sanden Sebastian , Siegmund Daniel , Özcan Fatih , Puring Kai junge , Cao Rui , Schöfberger Wolfgang , Segets Doris , Apfel Ulf‐Peter
Published: October 2024

In recent years, CO2 electrolysis, particularly the electrochemical reduction of CO2 to CO in zero‐gap systems, has gained significant attention. While Ag‐coated gas diffusion electrodes are commonly used in state‐of‐the‐art systems, heterogenized molecular catalysts like bis‐coordinated homoleptic silver(I) N,N‐bis(arylimino)‐acenaphthene (Ag‐BIAN) complexes are emerging as a promising alternative due to their tunability and high mass activity. In this study, the influence of ink composition on the performance of Ag‐BIAN‐based GDEs in zero‐gap electrolyzers (ZGEs) are systematically explored at 60 °C and 600 mA cm⁻2. Sedimentation analyses across various solvents informed the selection of optimal solvent‐catalyst and solvent‐carbon additive combinations, streamlining the GDE optimization process and reducing associated costs and time. These results demonstrate that solvent choice and dilution state of the ink are critical factors impacting CO2 reduction, achieving faradaic efficiencies for CO production (FECO) up to 67% at 600 mA cm⁻2 with catalyst loadings as low as 0.2 mg cm⁻2. These findings lay the groundwork for advancing from homogeneous H‐type cells to industrial ZGE systems through tailored ink engineering.
Balanced Adsorption Toward Highly Selective Electrochemical Reduction of CO2 to Formate
Authors: Su Die , Zhang Jingru , Liu Jin , Lv Shengyao , Xie Zhuoyang , Tu Yunchuan , Hu Xiaohua , Li Cunpu , Liu Bin , Wei Zidong
Published: October 2024

Tin‐based materials have been designed as potential catalysts for the electrochemical conversion of CO2 into a single product. However, such tin‐based materials still face the challenges of unsatisfactory selectivity, because the rate‐determining step is situated within the slow desorption step. In this work, a variety of tin‐based materials are synthesized using the electrospinning technique in an effort to control the adsorption strength during electrochemical reduction, therefore improving the selectivity of CO2 reduction toward formate. The optimized SnS material exhibits moderate adsorption strength to *OCHO and *HCOOH, and the appropriate atomic distance of Sn–Sn maintained the balanced adsorption posture of both intermediate. Therefore, the rate‐determining step can be shifted from the slow desorption of the *HCOOH step (Sn) to the first hydrogenation of the *OCHO species step (SnS). Due to this shift, the SnS/C electrode demonstrated excellent selectivity, with a Faradaic efficiency of 96% for the production of formate. A maximum current density of −12.5 mA cm−2 for formate is also achieved for a period of 33 h.
High‐Power and Long‐Lifespan Rechargeable Ion Batteries based on Na+‐Confined Na+/Mg2+ Coinsertion Chemistry
Authors: Chen Fuyu , Li Hong‐Yi , Zhong Qing , Cai Zijie , Wang Dong , Diao Jiang , Huang Guangsheng , Wang Jingfeng , Pan Fusheng
Published: October 2024

Magnesium–sodium hybrid ion batteries (MSHIBs) are expected to achieve excellent rate capability. However, existing MSHIB cathodes exhibit low ionic conductivity and poor structural stability, resulting in low power density and cycle lifespan. Herein, sodium‐rich Na3.7V6O16·2.9H2O (Na‐rich NVO) nanobelts are synthesized as MSHIB cathodes. Excess Na+ induced NaO5 and NaO3 interlayer pins, which ensures NVO structural stability to accommodate Mg2+ and Na+. They also confine the migration pathway of cations to the diffusion direction, lowering the migration barriers of Mg2+ and enhancing the ionic conductivity. Excess interlayer Na+ increases the electronic conductivity of the involved Na‐rich NVO cathode. The cathode exhibits a high Mg2+ diffusion coefficient, and the resulting MSHIBs exhibit a power density of 3.4 kW kg−1 and a lifespan of 20 000 cycles at 5.0 A g−1, with a capacity retention rate of 85%. Overall, this study paves the way for designing and developing fast‐charging secondary batteries.
Synergistic Surface Engineering of BiVO4 Photoanodes for Improved Photoelectrochemical Water Oxidation
Authors: Wang Shan , Shi Zhijian , Du Kunrong , Ren Zhizhen , Feng Haifeng , Wang Jiaou , Wang Liang , Cui Dandan , Du Yi , Hao Weichang
Published: October 2024

Surface engineering of BiVO4 photoanodes is effective and feasible for photoelectrochemical (PEC) water splitting. To achieve superior PEC performance, however, more than one surface engineering method is usually indispensable, for which a positive synergistic effect is vital and thus highly desired. Herein, it is reported that the incorporation of borate moieties into ultrathin p‐type NiOx catalysts can induce the reconfiguration of surface catalytic sites to form new highly active species, in addition to enhanced fast charge separation and transfer. The photocurrent density of BiVO4 photoanodes is enhanced from 1.49 to 5.76 mA cm−2 at 1.23 V versus reversible hydrogen electrode (RHE) under AM 1.5G illumination, which is achieved by successive modifications of NiOx and borate moieties. It is found that BO3 groups anchored to Ni atoms by replacing the surface hydroxyl sites of NiOx catalysts not only increase the relative ratio of Ni3+ species to facilitate charge transfer but also provide efficient active sites for H2O molecule adsorption and oxidation reactions. This work demonstrates the positive synergistic effect of these two surface engineering methods and provides an effective pathway to construct highly efficient and stable photoanodes for PEC water splitting.
Colorimetric Fabry‐Pérot Sensor with Hetero‐Structured Dielectric for Humidity Monitoring
Authors: Li Zhihuan , Tian Lejie , Wu Wei , Feng Li , Khaniyev Bakyt , Mukhametkarimov Yerzhan , Ibraimov Margulan , Zhou Feng , Liu Weimin , Liu Jianxi
Published: October 2024

A full‐color colorimetric humidity sensor with high brightness is proposed by using a hetero‐structured dielectric film in a metal‐insulator‐metal (MIM) resonator. A humidity‐responsive polymer is designed to graft on top of a metal‐organic frameworks (MOFs) thin film (MOFs‐Polymer) as insulator layer in the resonator. Programmable tuning of reflected color is achieved by controlling the polymer thicknesses, and finite difference time domain simulation of light‐matter interactions at subwavelength scales proves the dependence of the reflected wavelength on dielectric layer thickness of the resonator. Vivid full‐color changing is realized during tracking humidity process due to swelling of the stimuli‐responsive polymer. Ultrafast response (≈0.75 s) is achieved for tracking trace H2O from H2O/methanol mixture, which is ≈104 faster than that of the pure polymer‐based MIM resonator. Meanwhile, the study observes significant spectral redshift because the porous MOFs film facilitates the preconcentration of external stimulus and improves the detection sensitivity of the resonator. Further, double‐channel anti‐counterfeiting multiplexing imaging is devised on the MIM resonator by photomask technology. Patterned encoding for security label is achieved on the MIM resonator by engineering humidity‐tunable pixels of Au/MOFs‐Polymer/Au and humidity‐invalid pixels of Au/MOFs/Au.
Diversity of limb long bone morphology among proboscideans: how to be the biggest one in the family
Authors: Bader Camille , Delapré Arnaud , Göhlich Ursula B. , Houssaye Alexandra
Published: October 2024

From its first small representatives to its later giant species, the Order Proboscidea evolved increasingly large forms. Limb long bones are heavily affected by shifts in body mass, and this is especially true in proboscideans, in which an increase in body mass is associated with a reorientation of the limb into the parasagittal plane, reducing the need for strong musculature. We investigated shape variation in the six long bones elements of the limb of extant and extinct proboscideans with regard to body mass evolution in this lineage. To do so, we used three‐dimensional geometric morphometrics and qualitative comparisons to describe shape variability. Our analysis indicates that the shift from a flexed posture to a columnar one results in reorientations of articular surfaces in the six bones, and a decrease in robustness, thus reducing bending stresses on the bones. We also identify two main morphotypes among graviportal proboscideans: one (MA) corresponding to bones with a thin diaphysis and narrow epiphyses, as in deinotheres and elephantids, and the other (MB) to bones with a large diaphysis and wide epiphyses, seen in gomphotheres and mammutids. Both morphotypes are observed in species of similar mass, indicating that adaptation to high body weight support has been achieved in two different ways among proboscideans, and that once acquired, it remains fixed within the taxon.
An unexpected late paroxyclaenid (Mammalia, Cimolesta) out of Europe: dental evidence from the Oligocene of the Bugti Hills, Pakistan
Authors: Solé Floréal , Baqri Syed Rafiqul Hassan , Iqbal Nayyer , Roohi Ghazala , Benammi Mouloud , Crochet Jean‐Yves , De Franceschi Dario , Antoine Pierre‐Olivier , Marandat Bernard , Métais Grégoire , Marivaux Laurent
Published: October 2024

Eight isolated mammal molars were discovered in lower Oligocene deposits of the Bugti Hills, Pakistan (Paali Nala, DB‐C2; lower Chitarwata Formation). Because of their unusual morphology, these molars have long remained enigmatic. Extensive comparisons with fossil eutherian and metatherian mammals and the recent description of new paroxyclaenids (Mammalia, Cimolesta) from the lower Eocene (Ypresian) of Europe have highlighted the plausible affinities of these teeth from the Oligocene of Pakistan and suggest a referral to Paroxyclaenidae. The dental morphology of this taxon is singular among Paroxyclaenidae, and as such it allows us to propose here a new species and a new genus: Welcommoides gurki. The occurrence of a paroxyclaenid in the Oligocene of Pakistan remains somewhat unexpected inasmuch as these mammals have so far been known only from the Eocene of Europe. At c. 4.2 kg, W. gurki is the largest paroxyclaenid ever discovered, and is assigned to the subfamily Merialinae, which became extinct in Europe around the Ypresian–Lutetian transition, long before the occurrence of this new taxon from Pakistan. Welcommoides has a suite of unusual characters compared with merialines, suggesting that this South Asian lineage had diverged for some time from its European Ypresian counterparts. Such a hypothesis is supported by the faunal similarities between European and Indian subcontinent faunas during the Ypresian. Moreover, our discovery strengthens support for the hypothesis that low latitudes of South Asia were a tropical refugium, at least during the first steps of the global climatic deterioration started at the Eocene–Oligocene transition.
LPSRUA–MIoT: Lightweight and Provable Secure Remote User Authentication Scheme for Multi‐Gateway Computing Framework in Internet of Things
Authors: Das Priyanka , Ray Sangram , Sadhukhan Dipanwita , Dasgupta Mou , Das Ashok Kumar , Govil Mahesh Chandra
Published: October 2024

Internet of Things (IoT) has evolved into a new era of information and communication technology where several day‐to‐day usable physical objects have been interconnected to form an intelligent ad‐hoc network that is deployed into various hostile environments to monitor, gather and process the surveillance data. However, there is a huge potential gap between communication in traditional wired network and wireless IoT network. IoT network is susceptible to several security threats due to their distributed and decentralized architecture, open nature of communication channel, dynamic nodal infrastructure, high possibilities of malicious penetrations, and so forth. In this scenario, a secure, efficient, and lightweight remote user authentication and key agreement scheme can play a significant role to mitigate the above‐mentioned issues and to provide well‐protected communication between the communicating entities in the IoT environment. Therefore in this paper, we have proposed a provable secure, robust and lightweight biometric‐enabled mutual authentication scheme for a multi‐gateway IoT environment using an irreversible hash function and fuzzy extractor. To support our claim, we have formally verified our scheme using the broadly accepted Random Oracle Model (ROM) and further simulated using the widely used AVISPA simulation tool. Additionally, the performance analysis in terms of computation and communication overheads of the proposed scheme is compared with other existing relevant authentication schemes that clearly shows that the proposed protocol maintains an acceptable efficiency security trade‐off for implementation in real‐life scenarios.
Sustainability of column‐supported slabs for buildings: A multi‐criteria assessment
Authors: Monserrat‐López Andrea , Josa Irene , Aidarov Stanislav , Pujadas Pablo , de la Fuente Albert
Published: October 2024

The global construction industry is experiencing significant growth, driving the demand for building floor area. However, this expansion comes with substantial environmental consequences, including high‐energy consumption and greenhouse gas (GHG) emissions, together with economic and social impacts. To address these challenges, this research aims at providing designers and decisions‐makers with an approach that will aid the quantification of those impacts relevant for the sustainability performance of flooring systems. A holistic sustainability assessment was performed considering economic, environmental, and social aspects using the Integrated Value Model for Sustainability Evaluations. This study focused on various flooring typologies, including reinforced concrete (RC) and fiber‐RC (FRC) slabs with solid and waffle (for RC solution) configurations. The most representative criteria and indicators of sustainability for concrete column‐supported slabs were identified, measured, and weighted—aggregated in a decision‐making tree—in order to obtain a representative a sustainability index (SI) for each alternative. The results of the analysis evidence that the RC solid slab has a higher overall SI than the other alternatives, the FRC alternatives performing with similar SI of that quantified for the RC solid slab solution and the RC waffle slab being that with the lower sustainability performance among those flooring systems considered in this study. The results of a sensitivity analysis showed that those alternatives using FRC have potential for improving the overall sustainability performance.