bluuebunny/crossref_metadata_2025 huggingface dataset:
Changes in limb bone diaphyseal structure in chimpanzees during development
Authors: Bleuze Michele M.
Published: April 2024

Objectives

This study tests if femoral and humeral cross‐sectional geometry (CSG) and cross‐sectional properties (CSPs) in an ontogenetic series of wild‐caught chimpanzees (Pan troglodytes ssp.) reflect locomotor behavior during development. The goal is to clarify the relationship between limb bone structure and locomotor behavior during ontogeny in Pan.

Materials and Methods

The latex cast method was used to reconstruct cross sections at the midshaft femur and mid‐distal humerus. Second moments of area (SMAs) (Ix, Iy, Imax, Imin), which are proportional to bending rigidity about a specified axis, and the polar SMA (J), which is proportional to average bending rigidity, were calculated at section locations. Cross‐sectional shape (CSS) was assessed from Ix/Iy and Imax/Imin ratios. Juvenile and adult subsamples were compared.

Results

Juveniles and adults have significantly greater femoral J compared to humeral J. Mean interlimb proportions of J are not significantly different between the groups. There is an overall decreasing trend in diaphyseal circularity between the juvenile phase of development and adulthood, although significant differences are only found in the humerus.

Discussion

Juvenile chimpanzee locomotion includes forelimb‐ and hindlimb‐biased behaviors. Juveniles and adults preferentially load their hindlimbs relative to their forelimbs. This may indicate similar locomotor behavior, although other explanations including a diversity of hindlimb‐biased locomotor behaviors in juveniles cannot be ruled out. Different ontogenetic trends in forelimb and hindlimb CSS are consistent with limb bone CSG reflecting functional adaptation, albeit the complex nature of bone functional adaptation requires cautious interpretations of skeletal functional morphology from biomechanical analyses.
Development of Manganese Carbonyl Loaded Upconversion Nanoparticles for Near‐Infrared‐Triggered Carbon Monoxide and Mn2+ Delivery
Authors: Zheng Yile , Wei Yi , Yang Yuying , Wen Xiang , Yang Cai , Xiao Yating , Du Zhen , Liu Xiangsheng
Published: April 2024

Photoactivatable carbon monoxide‐releasing molecules (CORMs), typically based on transition‐metal carbonyl complexes, have reliance on activation by UV or visible light that restricts their biomedical applications. To address this limitation, a near‐infrared (NIR)‐responsive nanoplatform is presented based on upconversion nanoparticles (UCNPs) loading with manganese carbonyl complex Mn2(CO)10 that concurrently releases CO and manganese ion (Mn2+). With the UCNPs, the more tissue‐penetrable NIR is used to locally generate UV light for photodecomposition of Mn2(CO)10 into CO and manganese oxide (MnOX), after which MnOX is reduced to Mn2+ by the overexpressed glutathione in cancer cells. Moreover, the released Mn2+ can serve as a magnetic resonance imaging contrast agent to monitor the NIR‐controlled corelease of CO and Mn2+ in real time. Therefore, this nanoplatform can provide a potential strategy for NIR‐enabled spatiotemporally release of CO and Mn2+, enhancing the controlled delivery and biomedical application of CORMs.
Imidazole‐Intercalated Cobalt Hydroxide Enabling the Li+ Desolvation/Diffusion Reaction and Flame Retardant Catalytic Dynamics for Lithium Ion Batteries
Authors: Yang Liu , Wang Yisha , Wang Jingwen , Zheng Yapeng , Ang Edison Huixiang , Hu Yuan , Zhu Jixin
Published: April 2024

Lithium‐ion batteries have found extensive applications due to their high energy density and low self‐discharge rates, spanning from compact consumer electronics to large‐scale energy storage facilities. Despite their widespread use, challenges such as inherent capacity degradation and the potential for thermal runaway hinder sustainable development. In this study, we introduce a unique approach to synthesize anode materials for lithium‐ion batteries, specifically imidazole‐intercalated cobalt hydroxide. This innovative material significantly enhances the Li+ desolvation/diffusion reaction and flame‐retardant dynamics through complexing and catalytic synergetic effects. The lithium‐ion batteries incorporating these materials demonstrate exceptional performance, boasting an impressive capacity retention of 997.91 mAh g−1 after 500 cycles. This achievement can be attributed to the optimization of the solid electrolyte interphase (SEI) interface engineering, effectively mitigating anode degradation and minimizing electrolyte consumption. Experimental and theoretical calculations validate these improvements. Importantly, imidazole intercalated Co(OH)2 (MI−Co(OH)2) exhibits a remarkable catalytic effect on electrolyte carbonization and the conversion of CO to CO2. This dual action suppresses smoke and reduces toxicity significantly. The presented work introduces a novel approach to realizing high‐performance and safe lithium‐ion batteries, addressing key challenges in the pursuit of sustainable energy solutions.
Ni‐Catalyzed Linearizable Cyclization/Coupling with Detachable Silicon‐Oxygen Linker: Access to 1,2‐Oxasilolanes, 3‐Hydroxysilanes and 4‐Arylalkanols
Authors: Lakomy Margaret G. , Shankar Majji , Del Rio Ava C. , Giri Ramesh
Published: April 2024

We disclose a Ni‐catalyzed cyclization/alkylmetal interception reaction in which products are readily linearized to permit regiodefined alkene dicarbofunctionalization. This method offers a convenient route to access 1,2‐oxasilolane heterocycles, 3‐hydroxysilanes and 4‐arylalkanols with the formation of C(sp3)−C(sp3) bonds at primary and secondary alkyl carbon centers. In this reaction, a silicon‐oxygen (Si−O) bond functions as a detachable linker that can be delinked with several hydride, alkyl, aryl and vinyl nucleophiles to create profusely functionalized 3‐hydroxysilanes. A silicon motif in the cyclic C(sp3)−Si−O construct in 1,2‐oxasilolane heterocycles can also be selectively deleted by Pd‐catalyzed hydrodesilylation affording Si‐ablated linear alcohol products reminiscent of vicinal ethylene dicarbofunctionalization with C(sp3) and C(sp2) carbon sources.
Immobilized transition metal (II) bis–imine chelate on ZnO@TiO2 nanoparticles as sufficient catalysts for alcohol oxidation and for α,β‐cinnamic acid decarboxylative bromination
Authors: Adam Mohamed Shaker S. , Taha Amel , Hereba Abdelrahman T. , Makhlouf Mohamed M. , Mahmoud Hatem A.
Published: April 2024

Based on the strong coordination ability of substituted imines towards transition metals of different oxidation states, the coordination of the HL imine ligand with the Cu2+ ion to form the Cu–bis–imine complex was achieved in 2:1 molar ratios. Their structures were confirmed with various spectroscopic tools. Heterogeneously, CuL2 was successfully appended on ZnO@TiO2 nanoparticles, as the less harmful materials, within the deprotonated p‐hydroxy chain of the bonded ligand in CuL2. The surface and internal structural morphologies of ZnO@TiO2@CuL2 were analyzed using X‐ray diffraction (XRD), field‐emission scanning electron microscopy (FESEM), high‐resolution transmission electron microscopy (HRTEM), energy‐dispersive X‐ray spectroscopy (EDS), and infrared (IR) spectroscopy, in addition to thermogravimetric analysis (TGA). The catalytic behavior of both catalysts, CuL2 (the homogeneous catalyst) and ZnO@TiO2@CuL2 (the heterogeneous catalyst), was examined in the benzyl alcohol redox protocols using H2O2 for their optimization. α,β‐Cinnamic acid decarboxylative bromination in the presence of potassium bromide and H2O2 in water was studied with both catalysts, in which (2‐bromovinyl)benzene was the chemoselective product. Both Cu catalysts displayed appreciable catalytic effectiveness for the oxidation protocols and the decarboxylative bromination reactions. CuL2 recorded less required time for optimization than that of the heterogeneous catalyst. The catalytic effectiveness of CuL2 was less promoted than that of ZnO@TiO2@CuL2. Despite the less performance in yield of benzaldehyde for the oxidation protocols with ZnO@TiO2@CuL2, ZnO@TiO2@CuL2 had more recycling than its homogeneous counterpart, with seven to three times, respectively.
Azo naringenin‐based copper (II) complex as DNA binder: Synthesis, spectroscopic characterization, and diverse biological potentials
Authors: El‐Bindary Mohamed A. , Fathy Ahmed M.
Published: April 2024

A new copper (II) complex containing the mono basic ligand (HL) azo naringenin was synthesized and structurally characterized by analytical, magnetic, and various spectroscopic techniques. An octahedron geometry was proposed for the assigned molecular formula [Cu(L)(CH3COO)(OH2)2]. Processing of powder X‐ray diffraction data for the copper (II) complex in question by the Expo 2014 computer program confirmed the proposed structure inferred from the spectroscopic studies. The DNA binding ability of the free ligand and its copper (II) complex was tested, and the results obtained demonstrated the stronger DNA binding ability of the copper (II) complex over the azo naringenin ligand. The antioxidant potency of copper (II) complex was investigated via the DPPH free radical‐scavenging assay. The present azo naringenin ligand and its copper (II) complex have shown diverse biological potentials including antitumor, antifungal, and antibacterial activities.
Impact of chemical reaction on hybrid nanofluid (GO + MoS2) flow over an exponentially stretching sheet with Soret and Dufour effects
Authors: Manigandan Arumugam , Narayana Panyam Venkata Satya
Published: April 2024

The Soret and Dufour effects play a crucial role in various fields such as geosciences, groundwater pollutant migration, chemical reactor operations, binary alloy solidification, and isotope separation. This study focuses on examining the impact of mixed convective flow on hybrid nanofluid through an exponentially stretching sheet with Soret and Dufour effects. The flow is affected by factors like variable viscosity, radiation, viscous dissipation, and activation energy. Instead of the no‐slip condition at the boundary, velocity slip, thermal slip, and concentration slip are considered. The physical problem is modeled using boundary layer theory, and flow patterns are expressed using partial differential equations (PDEs). These governing fluid flow equations are transformed into non‐linearly coupled ordinary differential equations (ODEs) using exponential similarity transformations. These simplified ODEs are resolved using the MATLAB bvp4c package. The effects of physical parameters on velocity, temperature, and concentration are illustrated through figures. Additionally, the drag force coefficient and heat and mass transfer rates are calculated for various parameters and presented graphically and in tabular form. It is observed that compared to nanofluids, the drag force coefficient of hybrid nanofluids increases by up to 21.05% with various solute buoyancy parameters (δ). Also, the mass transfer rate of hybrid nanofluids can be increased by .96% by the chemical reaction rate (σm). A comparison of this work with previously published research has been reported.
Moisture barriers used in firefighters' protective clothing: Effect of accelerated thermal aging on their mechanical and barrier performance
Authors: Munevar‐Ortiz Laura , Nychka John A. , Dolez Patricia I.
Published: April 2024

Moisture barriers are an essential component in firefighters' protective clothing as they allow water vapor to exit and prevent liquids from entering into the garment. However, they may be sensitive to thermal aging. This study investigates the effect of accelerated thermal aging at temperatures between 95 and 240°C on three different moisture barriers used in firefighters' protective clothing. Variations in their tear force, water vapor transmission rate (WVTR), and apparent contact angle were observed after thermal aging. These variations were influenced by factors such as the base fabric structure, fiber content, adhesive characteristics, and presence of an additional flame‐resistant polyurethane coating on top of the expanded polytetrafluoroethylene membrane. Adhesive degradation and delamination were observed in one moisture barrier, whilst different extents of base fabric degradation occurred in all three of them, leading to tear force reduction. Depending on the moisture barrier and aging temperature, the membranes experienced crack formation or pore closure, which affected the WVTR. The water‐repellent finish on the fabric side degraded in two moisture barriers but was not affected in the other. These findings highlight the importance of considering the constitutive materials and the structure of moisture barriers to understand their aging behavior and improve firefighters' safety.
Correlation of Structural Changes and Hydrogen Diffusion in Polycrystalline WO3 Thin Films by Combining In Situ Transmission Measurements and Raman Spectroscopy
Authors: Friedrich Markus S. , Hecker Tim K. , Strack Alexander G. , Tuchecker Paul , Klar Peter J.
Published: April 2024

Diffusion in polycrystalline tungsten trioxide (WO3) thin films is studied in a lateral geometry to better understand the impact of hydrogen‐induced structural phase transitions on the diffusion. WO3 thin films are coated with polymethylmethacrylate layer (PMMA). The latter is microstructured in such a way that a narrow stripe‐like gap occurs in the PMMA layer exposing the surface of the WO3 thin film. This stripe serves as the contact to the electrolyte in the intercalation experiment with hydrogen. After intercalation, the lateral diffusion of hydrogen inside WO3 below the PMMA layer can be observed, increasing the analyzable path and time scale by several orders of magnitude compared to the film thickness, thus, significantly improving spatial and temporal resolution of in situ transmission and Raman measurements. Spatially resolved transmission measurements in the wavelength range of 633±55 nm show that the diffusion process is dependent on hydrogen concentration and exhibits two regimes describable by different diffusion coefficients. Time‐resolved Raman spectroscopic measurements at different distances from the electrolyte contact area show that the switching between the two diffusion coefficients occurs at the phase transition from the orthorhombic to the tetragonal phase. The results are further supported by a simulation. The measurement approach is universally applicable for electrochromic films or multilayers.
Analysis of the population genetics of the Yangtze finless porpoise population in the Poyang Lake Basin: Insight of conservation recommendations
Authors: Rongcheng Rao , Jianglong Que , Zhen Tian , Jialing Min , Ying Yang , Qinghai Huang , Jinxiang Yu , Yingen Dai
Published: April 2024

The genomes of 32 Yangtze finless porpoises (YFPs) in the Poyang Lake Basin were sequenced, and the data were used for population genetic analysis.

The population genetic structure of YFP in the Poyang Lake Basin is relatively simple, with a linkage disequilibrium decay distance of 705 bp.

The correlation between genetic distance and geographic distance for YFP populations from different regions showed that the populations had a fixed range.

Although Poyang Lake is connected during the rainy season, changes in water levels and human activities have hindered the exchange and migration of YFP populations between different areas. In particular, these changes may lead to differences in physiological metabolism and reproduction between populations in the main lake area and those in the sand pits, which are connected to the main lake area during the dry season.

This study highlights the need for measures such as artificial translocation, dredging and habitat restoration to improve the exchange of YFP populations between different areas. We also suggest that the sand pits should be designated as protected areas, as their environment is conducive to the survival of the population.
Investigating the impact of remote neuroanatomy education during the COVID‐19 pandemic using online examination performance in a National Undergraduate Neuroanatomy Competition
Authors: De Louche Calvin D. , Taylor Charles , Weiss Veronique B. N. , Amendra Damian , Philp Janet , Parrott Rachel , Hall Samuel , Border Scott
Published: April 2024

Neuroanatomy is a notoriously challenging subject for medical students to learn. Due to the coronavirus disease‐19 (COVID‐19) pandemic, anatomical education transitioned to an online format. We assessed student performance in, and attitudes toward, an online neuroanatomy assessment compared to an in‐person equivalent, as a marker of the efficacy of remote neuroanatomy education. Participants in the National Undergraduate Neuroanatomy Competition (NUNC) 2021 undertook two online examinations: a neuroanatomically themed multiple‐choice question paper and anatomy spotter. Students completed pre‐ and post‐examination questionnaires to gauge their attitudes toward the online competition and prior experience of online anatomical teaching/assessment. To evaluate performance, we compared scores of students who sat the online (2021) and in‐person (2017) examinations, using 12 identical neuroradiology questions present in both years. Forty‐six percent of NUNC 2021 participants had taken an online anatomy examination in the previous 12 months, but this did not impact examination performance significantly (p > 0.05). There was no significant difference in examination scores between in‐person and online examinations using the 12 neuroradiology questions (p = 0.69). Fifty percent of participants found the online format less enjoyable, with 63% citing significantly fewer networking opportunities. The online competition was less stressful for 55% of participants. This study provides some evidence to suggest that student performance is not affected when undertaking online examinations and proposes that online neuroanatomy teaching methods, particularly for neuroradiology, may be equally as effective as in‐person approaches within this context. Participants perceived online examinations as less stressful but raised concerns surrounding the networking potential and enjoyment of online events.
Biomaterials for Targeting Endoplasmic Reticulum in Cancer
Authors: Mishra Tripti , Sengupta Poulomi , Basu Sudipta
Published: April 2024

Endoplasmic reticulum (ER) is one of the most important sub‐cellular organelles which controls myriads of biological functions including protein biosynthesis with proper functional folded form, protein misfolding, protein transport into Golgi body for secretion, Ca2+ homeostasis and so on. Subsequently, dysregulation in ER function leads to ER stress followed by disease pathology like cancer. Hence, targeting ER in the cancer cells emerged as one of the futuristic strategies for cancer treatment. However, the major challenge is to selectively and specifically target ER in the sub‐cellular milieu in the cancer tissues, due to the lack of ER targeting chemical moieties to recognize the ER markers. To address this, in the last decade, numerous biomaterials were explored to selectively impair and image ER in cancer cells to induce ER stress. This review outlines those biomaterials which consists of carbon and silicon materials, lipid nanoparticles (liposomes and micelles), supramolecular self‐assembled nanostructures, cell membrane‐coated nanoparticles and metallic nanoparticles. Moreover, we also discuss the challenges and possible solutions of this promising field to usher the readers towards next‐generation ER targeted cancer therapy.
Pincer Nickel‐Catalyzed Olefination of Alcohols with Benzylphosphine Oxides
Authors: Duan Yu‐Tong , Yang Bo , Wang Zhong‐Xia
Published: April 2024

N,N,P‐Pincer nickel complexes effectively catalyze reaction of alcohols with benzylphosphine oxides to form alkenes in good yields. The protocol suits for a wide scope of substrates and generates only E‐configurated alkenes. The method also shows good compatibility of functional groups. Methoxy, methylthio, trifluoromethyl, ketal, fluoro, chloro, bromo, thienyl, and furyl groups are tolerated. The mechanism studies support that the reaction proceeds through catalytic dehydrogenation of alcohols to aldehydes or ketones followed by condensation with benzyldiphenylphosphine oxides in the presence of KOtBu.
A new passive‐based active disturbance rejection control for PMSG system with saturation constraints
Authors: Yu Dehai , Sun Weiwei , Li Yongshu
Published: April 2024

The disturbance in wind energy conversion system has a serious negative impact on the maximum power tracking performance of the system, and the saturation constraint problem also seriously restricts the stability of the control system. Therefore, a novel model compensation passive‐based active disturbance rejection control strategy is proposed to suppress the disturbance and saturation constraints, thus improving the tracking performance of the permanent magnet synchronous generator system in this paper. Taking advantage of the fact that active disturbance rejection control technology can estimate and compensate for the disturbances of the system in real time, a model compensation active disturbance rejection control method is proposed to make the system more robust to the changes in its own parameters and external disturbance. At the same time, the control input signal of the controller is given. A model compensation passive‐based active disturbance rejection controller is designed by using the passive control method, and the nonlinear sector method is introduced to solve the saturation constraint problem of the system. Simulation results show that the control strategy can effectively reduce overshoot, improve the system's response speed, have a good anti‐interference ability, and effectively suppress the influence of saturation constraints on the system.
Finite‐time sliding mode fault‐tolerant control of PEM fuel cell air supply system
Authors: Wang Zhixiang , Guo Xiaoyu , Dong Zhen , Cao Songyin
Published: April 2024

Proton exchange membrane (PEM) fuel cell air supply system is primarily responsible for delivering air to the fuel cell at a specific stoichiometric ratio for chemical reaction. The stoichiometric ratio will be impacted by the sudden change in load and system failure. Under the aforementioned circumstances, precise and timely air supply regulation is required to avoid irreparable PEM damage. In order to enhance the robustness and performance of the fuel cell, a cascaded finite time sliding mode fault‐tolerant control method is proposed for the air supply system of PEMFC. The control objective is to adjust the oxygen excess ratio at the cathode flow field, which can avoid the occurrence of oxygen starvation in the PEM fuel cell when the load current changes rapidly or when fault occurs. A cascaded controller structure is introduced, where, in the inner loop, an adaptive sliding mode controller is designed to reconstruct fault signal and track the optimal output trajectory and, in the outer loop, a finite‐time observer is employed to obtain the expected output trajectory. The proposed control scheme is capable of fault‐tolerant tracking of the optimal oxygen excess ratio within finite time. The effectiveness of proposed fault‐tolerant control algorithm is verified through hardware‐in‐the‐loop (HIL) studies.
Adaptive bipartite output containment control of heterogeneous multi‐agent systems against FDI attacks
Authors: Cheng Jie , Wu Jie , Zhan Xisheng , Han Tao , Wu Bo
Published: April 2024

This paper researches the adaptive bipartite output containment control of heterogeneous multi‐agent systems (HMASs) against false data injection (FDI) attacks. The malicious adversaries could inject attacks on the actuator to maximize damage to the HMASs, which in turn causes the compromised followers to be unable to track the output states of the leaders. To address this issue, a resilient layer is introduced that prevents attack signals from affecting the states. Moreover, an adaptive compensator is ingeniously devised to counteract these attacks, thereby ensuring that both cooperative and antagonistic agents adhere to distinct convex hulls. Leveraging the output regulation approach, conducting Lyapunov stability analysis, and drawing upon other pertinent methodologies, we have systematically constructed a robust framework for the realization of bipartite output containment control. Ultimately, the validity of the analytical findings is confirmed through a series of rigorous numerical simulations.
Comparison of Met Office regional model soil moisture with COSMOS‐UK field‐scale in situ observations
Authors: Cooper Elizabeth , Charlton‐Perez Cristina , Ellis Rich
Published: April 2024

The UK Met Office state‐of‐the‐art, deterministic, convection‐permitting, coupled land‐atmosphere, regional weather forecasting system, known as the UKV or UK Variable resolution model (Tang et al. Meteorological Applications, 2013; 20:417–426), has been operational since 2015. Science updates are regularly made to the UKV land surface data assimilation scheme when those updates improve predictions of screen temperature and humidity, since these quantities have a direct impact on atmospheric states and weather forecasts. Less attention has been paid to whether UKV soil moisture analyses are close to independent, in‐situ soil moisture observations, partly because it is difficult to make meaningful comparisons between 1.5 km2 gridded model outputs and traditional point sensor measurements. Soil moisture is recognized to be important when hydrological forecasts for runoff and rivers are required. This is because soil moisture controls the extent to which rainfall can infiltrate the soil, and the amount of surface runoff affects the timing of peak river flows (Ward & Robinson, Principles of Hydrology. McGraw‐Hill Publishing Company; 2000; Singh et al. Water Resources Research, 2021, 57, e2020WR028827). Gómez et al. (Remote Sensing, 2020; 12:3691) report benefits to river flow forecasts when using soil moisture data assimilation in the UKV system instead of a daily downscaled product from the Met Office global model. The Met Office measures soil temperature and soil moisture at Cardington (Osborne & Weedon, Journal of Hydrometeorology, 2021, 22:279–295); there is no other UK Met Office site at which soil moisture is measured. In this study, we use field‐scale (~200 m radius) soil moisture measurements from the UK Centre for Ecology and Hydrology's (UKCEH's) COSMOS‐UK network to provide independent verification and analysis of UKV soil moisture during summer 2018, an unusually dry period in the United Kingdom. We find that the match to COSMOS‐UK soil moisture observations is generally good, and that changes made to the land data assimilation approach during a recent operational upgrade had a generally beneficial impact on UKV soil moisture analyses under very dry conditions.
Residues determination, risk assessment, and dissipation behavior of myclobutanil formulation on apple
Authors: Amin Zakir , Sheikh Parveez Ahmad , Jan Ishrat , Summuna Baby , Dar Alamgir Ahmad , Wani Fazil Fayaz , Bhat Zahoor Ahmad
Published: April 2024

This study aimed to investigate the dissipation pattern, risk assessment, and waiting period of myclobutanil on apple fruit (Malus domestica Borkh.) under temperate conditions in Kashmir, India. The study involved the application of myclobutanil 10 WP at a single recommended dosage (125 g a.i. ha−1) and double dosage (250 g a.i. ha−1) on Red Velox apple trees, 2 months before harvest. GC equipped with an electron capture detector was used to analyze myclobutanil residues in fruit samples. The study revealed that myclobutanil, at both recommended and double recommended doses, dissipated rapidly and became nondetectable after 55 and 60 days, respectively. The waiting period for myclobutanil application was determined to be 12.41 days for the single dose and 25.58 days for the double dose, respectively. These waiting periods were based on the maximum residue limit of 0.6 ppm as prescribed by the Codex Alimentarius Commission, Food Safety and Standards Authority of India, and European Commission. The study concludes that myclobutanil 10 WP is safe for consumers at both recommended and double recommended doses when applied 2 months before harvest. Risk assessment, considering the average daily apple consumption in India and theoretical maximum residue contributions (TMRCs), indicates negligible health hazards even at double the recommended dosage. The calculated TMRC values at Day 0 were significantly below the maximum permissible intake. For average and maximum myclobutanil residues at single and double doses, the TMRC values were found to be 0.0069 and 0.0070 mg day−1 person−1 and 0.0105 and 0.0106 mg day−1 person−1, respectively. These results indicate that myclobutanil, when used according to recommended dosages and waiting periods, poses minimal health risks to consumers. The study emphasizes the importance of prudent fungicide use to minimize fungicide residues on fruits, thereby ensuring their safety for consumption.
Spatiotemporal evolutionary process of osteosarcoma immune microenvironment remodeling and C1QBP‐driven drug resistance deciphered through single‐cell multi‐dimensional analysis
Authors: Wu Xin , Tang Ning , Zhao Qiangqiang , Xiong Jianbin
Published: April 2024

The tumor immune microenvironment has manifested a crucial correlation with tumor occurrence, development, recurrence, and metastasis. To explore the mechanisms intrinsic to osteosarcoma (OS) initiation and progression, this study synthesizes multiple single‐cell RNA sequencing data sets, constructing a comprehensive landscape of the OS microenvironment. Integrating single‐cell RNA sequencing with bulk RNA sequencing data has enabled the identification of a significant correlation between heightened expression of the fatty acid metabolism‐associated gene (C1QBP) and patient survival in OS. C1QBP not only amplifies the proliferation, migration, invasion, and anti‐apoptotic properties of OS but also instigates cisplatin resistance. Subsequent investigations suggest that C1QBP potentially promotes macrophage polarization from monocytes/macrophages toward M2 and M3 phenotypes. Consequently, C1QBP may emerge as a novel target for modulating OS progression and resistance therapy.
Design, Synthesis, and Biological Evaluation of Novel Quinazoline Derivatives Possessing a Trifluoromethyl Moiety as Potential Antitumor Agents
Authors: Chen Mingxiu , Cheng Sha , Dai Xing , Yu Jia , Wang HuiDi , Xu BiXue , Luo Heng , Xu Guangcan
Published: April 2024

A novel series of trifluoromethyl‐containing quinazoline derivatives with a variety of functional groups was designed, synthesized, and tested for their antitumor activity by following a pharmacophore hybridization strategy. Most of the 20 compounds displayed moderate to excellent antiproliferative activity against five different cell lines (PC3, LNCaP, K562, HeLa, and A549). After three rounds of screening and structural optimization, compound 10 b was identified as the most potent one, with IC50 values of 3.02, 3.45, and 3.98 μM against PC3, LNCaP, and K562 cells, respectively, which were comparable to the effect of the positive control gefitinib. To further explore the mechanism of action of 10 b against cancer, experiments focusing on apoptosis induction, cell cycle arrest, and cell migration assay were conducted. The results showed that 10 b was able to induce apoptosis and prevent tumor cell migration, but had no effect on the cell cycle of tumor cells.
The PR‐10 Protein Pru p 1 is an Endonuclease that Preferentially Cleaves Single–Stranded RNA
Authors: Röck Manuel , Heel Sarah Viola , Juen Fabian Sebastian , Eidelpes Reiner , Kreutz Christoph , Breuker Kathrin , Tollinger Martin
Published: April 2024

Pathogenesis–related class 10 (PR‐10) proteins play a crucial role in plant defense by acting as ribonucleases. The specific mechanism of action and substrate specificity of these proteins have remained largely unexplored so far. In this study, we elucidate the enzymatic activity of Pru p 1, a PR‐10 protein from peach. We demonstrate that this protein catalyzes the endonucleolytic backbone cleavage of RNA substrates into short oligonucleotides. Initial cleavage products, identified through kinetic analysis, can bind again, priming them for further degradation. NMR binding site mapping reveals that the large internal cavity of Pru p 1, which is characteristic for PR‐10 proteins, serves as an anchoring site for single–stranded ribonucleotide chains. We propose a structure‐based mechanistic model that accounts for the observed cleavage patterns and the inhibitory effect of zeatin, a nucleoside analog, on the ribonuclease activity of Pru p 1.
Oxide Solid–Solution Catalysts with Good Redox Properties for Liquid–Phase Aerobic Additive–Free Oxidation: A Review
Authors: Tada Shohei , Kondo Masaru , Joutsuka Tatsuya
Published: April 2024

In this review, we discuss liquid–phase redox reactions using oxide solid–solution catalysts. These oxide solid solutions are readily prepared by introducing various elements into the foundational metal oxide template. Doping with metal species leads to the formation of [MOx] clusters with unique coordination structures, which is a remarkable feature that deserves attention. Consequently, oxide solid solutions exhibit catalytic capabilities that extend beyond those of conventional metal–oxide catalysts. Notably, these [MOx] clusters occasionally exhibit exceptional redox activities that can be used to catalyze liquid–phase redox reactions. Hence, we conjecture that a connection exists between catalyst structure and activity. This review delves into oxide solid–solution catalysts through the lenses of organic chemistry, solid catalysts, and computational chemistry, thereby collectively shaping our understanding and prospects in this field.
Photogeneration of Hydrogen: Insights from a Pt(II)‐Complex Incorporated into a Covalent Organic Framework
Authors: Gobbato Thomas , Sicignano Marina , Di Vizio Biagio , De Biasi Federico , Rosa‐Gastaldo Daniele , Bonetto Alessandro , Costa Paolo
Published: April 2024

Pt(II)‐based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic materials with optimal atom economy. In this work, by rational molecular design, we have synthesized a novel two‐dimensional photoactive Covalent Organic Framework (COF), wherein the pore walls host a quinoline‐based α‐diimine ligand serving as a coordination site for anchoring a Pt(II) molecular catalyst. Thorough structural analyses, employing X‐ray photoelectron spectroscopy (XPS), infrared spectroscopy (FT‐IR), diffuse reflectance spectroscopy (DR), coupled with DFT calculations, distinctly confirm the Pt(II) complexation through the coordination site of the α‐diimine ligand. The Pt(II)‐metalated COF exhibits photocatalytic activity with a hydrogen evolution rate reaching up to 1300 μmol g−1 h−1. Nevertheless, the occurrence of platinum nanoparticles in post‐catalysis samples, along with reduced photocatalytic activity in the presence of chloride ions, suggests that Pt(II) anchored into the COF backbone might not be the primary catalytic site.
Novel Alkane Dehydrogenation Routes via Tailored Catalysts
Authors: Dai Xueya , Qi Wei
Published: April 2024

Alkane dehydrogenation to alkene represents a promising alternative route for conventional petroleum cracking processes heavily reliant on fossil resources. This Concept outlines the latest advancements of novel alkane dehydrogenation routes that offer potential solutions to intrinsic problems existing in routine direct dehydrogenation or oxidative dehydrogenation reactions, including CO2 assisted alkane dehydrogenation, chemical looping alkane oxidative dehydrogenation, dual‐path dehydrogenation and auto‐accelerated multiple alkane dehydrogenation route. These novel reaction routes exhibit unique advantages in enhancing the activity, selectivity and stability of the alkane dehydrogenation reaction system. The rational design of novel catalysts and proper choice of the reaction condition that well‐fitted these reaction routes is the key for achieving highly efficient and stable alkane dehydrogenation process. These present examples in this manuscript also highlight the importance of fundamental in‐depth understandings on the mechanism and structure‐function relations, which is the foundation for developing novel alkane dehydrogenation routes for practical applications.
Photoreduction of Trifluoromethyl Group: Lithium Ion Assisted Fluoride‐Coupled Electron Transfer from EDA Complex
Authors: Uchikura Tatsuhiro , Akutsu Fua , Tani Haruna , Akiyama Takahiko
Published: April 2024

Photoinduced single‐electron reduction is an efficient method for the mono‐selective activation of the C−F bond on a trifluoromethyl group to construct a difluoroalkyl group. We have developed an electron‐donor‐acceptor (EDA) complex mediated single‐electron transfer (EDA‐SET) of α,α,α‐trifluoromethyl arenes in the presence of lithium salt to give α,α‐difluoroalkylarenes. The C−F bond reduction was realized by lithium iodide and triethylamine, two common feedstock reagents. Mechanistic studies revealed the generation of a α,α‐difluoromethyl radical by single‐electron reduction and defluorination, followed by the radical addition to alkenes. Lithium salt interacted with the fluorine atom to promote the photoinduced reduction mediated by the EDA complex. Computational studies indicated that the lithium‐assisted defluorination and the single‐electron reduction occurred concertedly. We call this phenomenon fluoride‐coupled electron transfer (FCET). FCET is a novel approach to C−F bond activation for the synthesis of organofluorine compounds.
Small‐Molecule Allosteric Inhibitors of Human Aspartate Transcarbamoylase Suppress Proliferation of Bone Osteosarcoma Epithelial Cells
Authors: Wang Chao , Zhang Bidong , Cong Yingying , Du Xiaochen , Chen Siyao , Visser Lidia , Ruiz‐Moreno Angel J. , Zhang Lili , Reggiori Fulvio , Dömling Alexander S. S. , Groves Matthew R.
Published: April 2024

Aspartate transcarbamoylase (ATC) is the first committed step in de novo pyrimidine biosynthesis in eukaryotes and plants. A potent transition state analog of human ATCase (PALA) has previously been assessed in clinical trials for the treatment of cancer, but was ultimately unsuccessful. Additionally, inhibition of this pathway has been proposed to be a target to suppress cell proliferation in E. coli, the malarial parasite and tuberculosis. In this manuscript we screened a 70‐member library of ATC inhibitors developed against the malarial and tubercular ATCases for inhibitors of the human ATC. Four compounds showed low nanomolar inhibition (IC50 30–120 nM) in an in vitro activity assay. These compounds significantly outperform PALA, which has a triphasic inhibition response under identical conditions, in which significant activity remains at PALA concentrations above 10 μM. Evidence for a druggable allosteric pocket in human ATC is provided by both in vitro enzyme kinetic, homology modeling and in silico docking. These compounds also suppress the proliferation of U2OS osteoblastoma cells by promoting cell cycle arrest in G0/G1 phase. This report provides the first evidence for an allosteric pocket in human ATC, which greatly enhances its druggability and demonstrates the potential of this series in cancer therapy.
Semi‐automatic algorithm to build finite element numerical models of the human hearing system from Micro‐CT data
Authors: Caminos L. , Chaves G. , Garcia‐Manrique J. , Gonzalez‐Herrera A.
Published: April 2024

Finite Element modeling has been an extended methodology to build numerical model to simulate the behavior of the hearing system. Due to the complexity of the system and the difficulties to reduce the uncertainties of the geometric data, they result in computationally expensive models, sometimes generic, representative of average geometries. It makes it difficult to validate the model with direct experimental data from the same specimen or to establish a patient‐oriented modeling strategy. In the present paper, a first attempt to automatize the process of model building is made. The source information is geometrical information obtained from CT of the different elements that compose the system. Importing that data, we have designed the complete procedure to build a model including tympanic membrane, ossicular chain and cavities. The methodology includes the proper coupling of all the elements and the generation of the corresponding finite element model. The whole automatic procedure is not complete, as we need to make some human‐assisted decisions; however, the model development time is reduced from 4 weeks to approximately 3 days. The goal of the modeling algorithm is to build a Finite Element Model with a limited computational cost. Several tasks as contour identification or model decimation are designed and integrated in order to follow a semi‐automated process that allows generating a patient‐oriented model.
Knowledge of risk factors and early detection methods toward breast cancer among healthcare workers in Kinshasa, Democratic Republic of the Congo
Authors: Sulu Stanislas Maseb'a Mwang , Mukuku Olivier , Sulu Arnold Maseb Sul , Massamba Bienvenu Lebwaze , Wembonyama Stanislas Okitotsho
Published: April 2024

Background

Breast cancer (BC) is the most prevalent cancer among women, and it typically presents late in developing countries like the Democratic Republic of the Congo (DRC), leading to higher mortality rates. Late detection at advanced stages of breast cancer can be attributed to the absence of appropriate screening programs and low levels of awareness.

Aims

To evaluate the level of BC knowledge among healthcare workers (HCWs) and identify determinants of good BC knowledge.

Methods and results

An analytical cross‐sectional survey was conducted from March 1 to 31, 2022 involving HCWs practicing in Kinshasa, DRC. Data were collected using a questionnaire administered through direct interviews. Bivariate and multivariate regression techniques were applied. The study interviewed 543 HCWs, with a median age of 35 years (interquartile range: 29–43). Of these, 61% had good BC knowledge, while 39% had poor BC knowledge. Multivariate analysis revealed that HCWs aged 50 years and over (adjusted odds ratio [aOR] = 2.3 [1.2–4.5]), female HCWs (aOR = 1.8 [1.1–2.4]), HCWs working in public healthcare facilities (aOR = 1.5 [1.1–2.5]), and HCWs who had received training on BC (aOR = 1.9; 95% CI: 1.5–3.3) were determinants of good BC knowledge.

Conclusion

This study found that 61% of the surveyed HCWs had good BC knowledge. However, there is still room for improvement in terms of knowledge dissemination. Therefore, it is important to implement continuing medical education programs that focus on raising awareness and improving BC knowledge among HCWs.
Containerized deep learning in agriculture: Orchestrating GoogleNet with Kubernetes on high performance computing
Authors: Hasan Syed Humaid , Hasan Syeda Huyam , Khan Usman Ali , Hasan Syed Hamid
Published: April 2024

Smart Farming has become a cornerstone of modern agriculture, offering data‐driven insights and automation that optimize resource utilization and increase crop yields. The use of cutting‐edge technologies in agriculture has given rise to Smart Farming, which has transformed traditional farming practices into efficient, data‐driven operations. This paper explores the synergy between high‐performance computing (HPC) systems, Kubernetes orchestration, GoogleNet architecture, and containerization to redefine the future of farming. At the heart of this transformation lies the GoogleNet architecture, a deep learning powerhouse recognized for its efficiency and accuracy in image recognition tasks. The orchestration capabilities of Kubernetes, a versatile tool for managing containerized workloads efficiently on HPC clusters. Hence, in this work, we investigate the intricacies of deploying GoogleNet‐based deep learning models within containerized environments orchestrated by Kubernetes on HPC infrastructure. It explores resource optimization, scalability, security, and adaptability, all tailored to the unique demands of the agricultural domain to evaluate the effectiveness of the given technique it is compared with the existing techniques namely Hermes, Horus, CYBELE, and RZ‐SHAN. The attained ranges of proposed method of various measures of accuracy, precision, recall, and F1‐score are 98.65%, 97.45%, 97.87%, and 98.12% for the Pilot Wheat Ear dataset. Also, the processing time for the proposed approach is 181.50 and 120.2 m for the Pilot Wheat Ear Dataset and the Pilot soya bean farming dataset. The latency of the proposed approach attains a lower value of 1.5 and 1.1 s pilot soya bean farming dataset and Pilot Wheat Ear dataset. The experimental outcome demonstrates the efficiency of the proposed approaches to improve Smart Farming agriculture.
Hollow Polyethyleneimine Nanoparticles with Drug Loaded DNA for Chemotherapeutic Applications
Authors: Rucci Brendan , Boyle Brian , Byrne Mark
Published: April 2024

The next generation of anticancer agents are emerging from rationally designed nanostructured materials. This work involved the synthesis and characterization of novel hollow DNA‐conjugated gold nanoparticles (DNA−AuNPs) for controlled drug delivery. Polyethyleneimine (PEI) was bound to AuNPs, forming polymer‐shell nanoparticles. Dissolution of the gold core via iodine formed hollow core polymeric nanoparticles (HCPNPs) and a high density (85 molecules/particle) of DNA intercalated with daunorubicin was conjugated. Particles were spherical with an average diameter of 105.7±17.3 nm and zeta potential of 20.4±3.54 mV. We hypothesize the DNA backbone electrostatically condensed to the primary amines on the surface of the particle toroidally, weaving itself within the polymer shell. During the DNA intercalation process, increasing the ionic concentration and decreasing the amine/phosphate ratio 10‐fold increased drug intercalation 64 % and 61 %, respectively, allowing us to determine the optimal method of particle synthesis. As intercalation sites increased with increasing DNA strand length, drug loading increased. An average of 874±40.1 daunorubicin molecules were loaded per HCPNP. HCPNPs with drug intercalated DNA have strong potential to be clinically efficacious drug delivery vehicles due to the versatility of DNA and high drug loading capacities.
Cover Feature: Direct Conjugation of Gallium‐(III)‐Corroles to Short Interfering RNA(siRNA) Providing Real‐Time siRNA Imaging and Gene Silencing (ChemPlusChem 6/2024)
Authors: Giorgees Ifrodet , Affe Vanessa , Williams Islah , Desaulniers Jean‐Paul
Published: April 2024

Invited for this month′s cover is the group of Jean‐Paul Desaulniers at Ontario Tech University. The cover picture shows the successful conjugation of a GaIII‐corrole to an siRNA to enable live cell imaging. Read the full text of the article at 10.1002/cplu.202400084.