bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Silico Prediction and Molecular Simulation of Antimicrobial Peptide Variants From Lactobacillus sp. Against Porphyromonas gingivalis and Fusobacterium nucleatum in Oral Squamous Cell Carcinoma
Authors: Taj Zarin , Chattopadhyay Indranil 
Published: March 2024

ABSTRACT
Porphyromonas gingivalis and Fusobacterium nucleatum are known to contribute to a variety of tumorigenic pathways linked to the progression of oral squamous cell carcinoma (OSCC). The growing global incidence of antibiotic resistance highlights the critical need to consider the use of antimicrobial peptides (AMPs) as a viable alternative to conventional antibiotics. The current study comprehensively tested Lactobacillus sp.−derived AMPs against bacterially exacerbated OSCC. A total of 52 AMPs were obtained from various databases, and an in silico analysis determined their potent antibacterial and anticancer characteristics after a rigorous screening and pruning approach. Twelve AMPs were tested for 3D structural alignment prediction and validation, with the GH12 synthetic AMP serving as a control. These candidate peptides were thoroughly screened against six important virulence proteins of P. gingivalis and four of F. nucleatum, with the lowest energy score of the docked complexes measuring binding affinity and interactions with active residues being chosen. plpl_18 was determined as the most efficient new AMP that interacted with the virulence protein RagB of P. gingivalis and Fap2 of F. nucleatum with docking scores of −238.24 and −254.27 kcal/mol, respectively. This AMP plpl_18 was docked against selective target OSCC regulatory proteins such as cytokines, metallomatrix proteinase, MAPK, E‐cadherin, and JAK‐1 proteins. Among these proteins, it docked against matrix metalloproteinase‐9 with the highest negative docking scores of −7.5, −260.956, and −1361.9 kcal/mol using AutoDock Vina, HPEPDOCK, and ClusPro 2.0, respectively. Molecular dynamic simulation was used to perform extrapolated validation. These computational studies provide an essential foundation for anticipated laboratory and clinical investigations concerning the possibility of adapting therapeutic peptides based on probiotics to combat the proliferation of OSCC, which is accelerated by F. nucleatum and P. gingivalis.
A potential link between aromatics‐induced oviposition repellency behaviors and specific odorant receptor of Aedes albopictus
Authors: Yan Ru , Chen Peitong , Xu Zhanyi , Qian Jiali , Zhu Guonian , Jin Yongfeng , Chen Bosheng , Chen Mengli 
Published: March 2024

AbstractBACKGROUNDThe Asian tiger mosquito, Aedes albopictus, is a competent vector for the spread of several viral arboviruses including dengue, chikungunya, and Zika. Several vital mosquito behaviors linked to survival and reproduction are primarily dependent on a sophisticated olfactory system for semiochemical perception. However, a limited number of studies has hampered our understanding of the relationship between the A. albopictus acute olfactory system and the complex chemical world.RESULTSHere, we performed a qRT‐PCR assay on antennae from A. albopictus of differing sex, age and physiological states, and found that AalbOr10 was enriched in blood‐fed female mosquitoes. We then undertook single sensillum recording to de‐orphan AalbOr10 using a panel of physiologically and behaviorally relevant odorants in a Drosophila ‘empty neuron’ system. The results indicated that AalbOr10 was activated by seven aromatic compounds, all of which hampered egg‐laying in blood‐fed mosquitoes. Furthermore, using a post‐RNA interference oviposition assay, we found that reducing the transcript level of AalbOr10 affected repellent activity mediated by 2‐ethylphenol at low concentrations (10−4 vol/vol). Computational modeling and molecular docking studies suggested that hydrogen bonds to Y68 and Y150 mediated the interaction of 2‐ethylphenol with AalbOr10.CONCLUSIONWe reveal a potential link between aromatics‐induced oviposition repellency behaviors and a specific odorant receptor in A. albopictus. Our findings provide a foundation for identifying active semiochemicals for the monitoring or controlling of mosquito populations. © 2024 Society of Chemical Industry.
Wettable sulphur application for Halyomorpha halys (Stål) (Hemiptera: Pentatomidae) management: laboratory and semi‐field experiments
Authors: Scaccini Davide , Mirandola Enrico , Sirapu Suresh , Simoni Filippo , Fornasiero Diego , Duso Carlo , Pozzebon Alberto 
Published: March 2024

AbstractBACKGROUNDThe brown marmorated stink bug, Halyomorpha halys (Stål) (Hemiptera: Pentatomidae), is a significant threat to crop production. Alternatives to synthetic pesticides are needed for its management. Here we investigated the effect of sulphur on H. halys. Experiments were performed to evaluate both mortality and deterrence/repellence of H. halys following sulphur treatments in laboratory and semi‐field conditions.RESULTSBrown marmorated stink bug mortality was not influenced by sulphur applications. However, in two‐choice experiments in insect cages and olfactometer, more H. halys adults moved toward the untreated control rather than the sulphur‐treated food sources, with a high effect as the concentration increased. A semi‐field experiment using potted apple plants confirmed the results observed in the laboratory, showing a deterrent and/or repellent effect of sulphur‐based products on H. halys.CONCLUSIONSSulphur applications were associated with a deterrent/repellent effect on the brown marmorated stink bug. The use of sulphur‐based products could represent a promising tool for Integrated Pest Management strategies against H. halys in fruit crops. © 2024 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Copper nanoparticles interfere with insecticide sensitivity, fecundity and endosymbiont abundance in olive fruit fly Bactrocera oleae (Diptera: Tephritidae)
Authors: Malandrakis Anastasios A. , Varikou Kyriaki , Kavroulakis Νektarios , Nikolakakis Antonis , Dervisi Irene , Reppa Chrysavgi Ι. , Papadakis Stefanos , Holeva Maria C. , Chrysikopoulos Constantinos V. 
Published: March 2024

AbstractBACKGROUNDThe potential of copper nanoparticles (Cu‐NPs) to be used as an alternative control strategy against olive fruit flies (Bactrocera oleae) with reduced sensitivity to the pyrethroid deltamethrin and the impact of both nanosized and bulk copper hydroxide (Cu(OH)2) on the insect's reproductive and endosymbiotic parameters were investigated.RESULTSThe application of nanosized and bulk copper applied by feeding resulted in significant levels of adult mortality, comparable to or surpassing those achieved with deltamethrin at recommended doses. Combinations of Cu‐NPs or copper oxide nanoparticles (CuO‐NPs) with deltamethrin significantly enhanced the insecticide's efficacy against B. oleae adults. When combined with deltamethrin, Cu‐NPs significantly reduced the mean total number of offspring compared with the control, and the number of stings, pupae, female and total number of offspring compared with the insecticide alone. Both bulk and nanosized copper negatively affected the abundance of the endosymbiotic bacterium Candidatus Erwinia dacicola which is crucial for the survival of B. oleae larvae.CONCLUSIONThe Cu‐NPs can aid the control of B. oleae both by reducing larval survival and by enhancing deltamethrin performance in terms of toxicity and reduced fecundity, providing an effective anti‐resistance tool and minimizing the environmental footprint of synthetic pesticides by reducing the required doses for the control of the pest. © 2024 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Measuring and Assessing Long‐Duration Impacts for Truck and Trailer
Authors: Ge Changfeng , Leinberger David , Dunno Kyle 
Published: March 2024

ABSTRACTA vehicle's long‐duration impacts events are experienced during turning, braking, and accelerating and decelerating. These long‐duration events are mixed with random impacts and shocks from various patterns and magnitudes. This study reports a comprehensive measurement and assessment of horizontal long‐duration impact dynamics for less‐than‐truckload (LTL) transportation. The collected horizontal impacts were synchronized with GPS data, allowing for the geographical location and identification of the event's signatures. All critical horizontal long‐duration impacts were detected by a MATLAB‐based algorithm and clustered into designated groups. A maximum collected environment and statistical analysis were assessed for the collected data, including the range, mean and cumulative probabilities. The study revealed that horizontal impacts caused by left‐turning and longitudinal braking are likely the most critical horizontal impacts. Additionally, lateral and longitudinal linear jerks were obtained for comparison with the EUMOS standard.
A statistical approach to system suitability testing for mass spectrometry imaging
Authors: Sohn Alexandria L. , Kibbe Russell R. , Dioli Olivia E. , Hector Emily C. , Bai Hongxia , Garrard Kenneth P. , Muddiman David C. 
Published: March 2024

RationaleMass spectrometry imaging (MSI) elevates the power of conventional mass spectrometry (MS) to multidimensional space, elucidating both chemical composition and localization. However, the field lacks any robust quality control (QC) and/or system suitability testing (SST) protocols to monitor inconsistencies during data acquisition, both of which are integral to ensure the validity of experimental results. To satisfy this demand in the community, we propose an adaptable QC/SST approach with five analyte options amendable to various ionization MSI platforms (e.g., desorption electrospray ionization, matrix‐assisted laser desorption/ionization [MALDI], MALDI‐2, and infrared matrix‐assisted laser desorption electrospray ionization [IR‐MALDESI]).MethodsA novel QC mix was sprayed across glass slides to collect QC/SST regions‐of‐interest (ROIs). Data were collected under optimal conditions and on a compromised instrument to construct and refine the principal component analysis (PCA) model in R. Metrics, including mass measurement accuracy and spectral accuracy, were evaluated, yielding an individual suitability score for each compound. The average of these scores is utilized to inform if troubleshooting is necessary.ResultsThe PCA‐based SST model was applied to data collected when the instrument was compromised. The resultant SST scores were used to determine a statistically significant threshold, which was defined as 0.93 for IR‐MALDESI‐MSI analyses. This minimizes the type‐I error rate, where the QC/SST would report the platform to be in working condition when cleaning is actually necessary. Further, data scored after a partial cleaning demonstrate the importance of QC and frequent full instrument cleaning.ConclusionsThis study is the starting point for addressing an important issue and will undergo future development to improve the efficiency of the protocol. Ultimately, this work is the first of its kind and proposes this approach as a proof of concept to develop and implement universal QC/SST protocols for a variety of MSI platforms.
Structured invariant subspace and decomposition of systems with time delays and uncertainties
Authors: Phan‐Van Huan , Gu Keqin 
Published: March 2024

AbstractThis article discusses invariant subspaces of a matrix with a given partition structure. The existence of a nontrivial structured invariant subspace is equivalent to the possibility of decomposing the associated system with multiple feedback blocks such that the feedback operators are subject to a given constraint. The formulation is especially useful in the stability analysis of time‐delay systems using the Lyapunov–Krasovskii functional approach where computational efficiency is essential in order to achieve accuracy for large scale systems. The set of all structured invariant subspaces are obtained (thus all possible decompositions are obtained as a result) for the coupled differential‐difference equations (DDE) associated with the DDE of retarded and neutral types, as well as systems with a time‐varying delay. It was shown that the known ad hoc methods of reducing the dimensions of delay channels can be considered as special cases of decomposition where one subsystem has trivial dynamics. The reduction of computational cost is demonstrated by a numerical example. For the general case, a recursive procedure is developed to obtain the set of all structured invariant subspaces. Based on this procedure, a method is presented to obtain a nontrivial structured invariant subspace that considers computational efficiency and increased possibility of terminating in a finite number of steps.
Multifunctional MoCx Hybrid Polyimide Aerogel with Modified Porous Defect Engineering for Highly Efficient Electromagnetic Wave Absorption
Authors: Liu Tong , Zhang Yanan , Wang Chong , Kang Yifan , Wang Miao , Wu Fan , Huang Wenhuan 
Published: March 2024

AbstractTraditional electromagnetic absorbing materials (EWAMs) are usually single functions and can easily affect their performance in diverse application scenarios. Effective integration of EWAMs into multiple function components is a valuable strategy to achieve maximum absorption and multifunction performance while maintaining their indispensable physical and chemical properties. In this work, the polyoxometalates (POMs) serving as “guests” are embedded within the Co‐MOFs to construct 3d/4d‐bimetallic based crystalline precursors of dielectric/magnetic synergistic system. The proper pyrolysis temperature induced the homogeneously distributed metallic Co and MoCx hetero‐units into carbon matrix with modified porous defect engineering to enhance electromagnetic wave (EW). Owing to the brilliant synergistic effect of polarization, magnetic loss, and impedance matching, the superior RLmin of −47.72 dB at 11.76 GHz at the thickness of 2.0 mm and a wide adequate absorption bandwidth (EAB) of 4.58 GHz (7.44–12.02 GHz) covered the whole X‐band at the thickness of 2.5 mm for η‐MoC/Co@NC‐800 are observed. More importantly, the resulting MoCx hybrid polyimide (MCP) aerogel exhibits desirable properties such as structural robustness, nonflammability, excellent thermal insulation, and self‐cleaning capabilities that are comparable to those of commercially available products. This work offers inspiration and strategy for creating multipurpose microwave absorbers with intricate structural designs.
Realizing Near Infrared Mechanoluminescence Switch in LAGO:Cr Based on Oxygen Vacancy
Authors: Wu Sheng , Xiao Binli , Jiang Dongliang , Xiao Yao , Shao Peishan , Zhou Zhiyao , Wang Yinzhen , Xiong Puxian 
Published: March 2024

AbstractMechanoluminescence (ML) materials are featured with the characteristic of “force to light” in response to external stimuli, which have made great progress in artificial intelligence and optical sensing. However, how to effectively enable ML in the material is a daunting challenge. Here, a Lu3Al2Ga3O12:Cr3+ (LAGO: Cr3+) near infrared (NIR) ML material peaked at 706 nm is reported, which successfully realizes the key to unlock ML by the lattice‐engineering strategy Ga3+ substitution for Al3+ to “grow” oxygen vacancy (Ov) defects. Combined with thermoluminescence measurements, the observed ML is due to the formation of defect levels and the ML intensity is proportional to it. It is confirmed by X‐ray photoelectron spectroscopy and electron paramagnetic resonance that such a process is dominated by Ov, which plays a crucial role in turning on ML in this compound. In addition, potential ML emissions from 4T2 and 2E level transitions are discussed from both experimental and theoretical aspects. This study reveals the mechanism of the change in ML behavior after cation substitution, and it may have important implications for the practical application of Ov defect‐regulated turn‐on of ML.
Operando Studies of Bismuth Nanoparticles Embedded in N, O‐Doped Porous Carbon for High‐Performance Potassium‐Ion Hybrid Capacitor
Authors: Liu Congcong , Lu Qiongqiong , Qu Jiang , Feng Wen , Thomas Alexander , Li Yuxi , Martinez Ignacio G. Gonzalez , Pan Cunliang , Mikhailova Daria 
Published: March 2024

AbstractA highly viable alternative to lithium‐ion batteries for stationary electrochemical energy‐storage systems is the potassium dual‐ion hybrid capacitor (PIHC), especially toward fast‐charging capability. However, the sluggish reaction kinetics of negative electrode materials seriously impedes their practical implementation. In this paper, a new negative electrode Bi@RPC (Nano‐bismuth confined in nitrogen‐ and oxygen‐doped carbon with rationally designed pores, evidenced by advanced characterization) is developed, leading to a remarkable electrochemical performance. PIHCs building with the active carbon YP50F positive electrode result in a high operation voltage (0.1–4 V), and remarkably well‐retained energy density at a high‐power density (11107 W kg−1 at 98 Wh kg−1). After 5000 cycles the proposed PHICs still show a superior capacity retention of 92.6%. Moreover, a reversible mechanism of “absorption‐alloying” of the Bi@RPC nanocomposite is revealed by operando synchrotron X‐ray diffraction and Raman spectroscopy. With the synergistic potassium ions storage mechanism arising from the presence of well‐structured pores and nano‐sized bismuth, the Bi@RPC electrode exhibits an astonishingly rapid kinetics and high energy density. The results demonstrate that PIHCs with Bi@RPC‐based negative electrode is the promising option for simultaneously high‐capacity and fast‐charging energy storage devices.
Regulating Electrolyte Solvation Structures via Diluent‐Solvent Interactions for Safe High‐Voltage Lithium Metal Batteries
Authors: Liu Yuqi , Li Jin , Deng Xiaolan , Chi Shang‐Sen , Wang Jun , Zeng Huipeng , Jiang Yidong , Li Tingting , Liu Zhongbo , Wang Hui , Zhang Guangzhao , Deng Yonghong , Wang Chaoyang 
Published: March 2024

AbstractLocal high concentration electrolytes (LHCEs) have been proved to be one of the most promising systems to stabilize both high voltage cathodes and Li metal anode for next‐generation batteries. However, the solvation structures and interactions among different species in LHCEs are still convoluted, which bottlenecks the further breakthrough on electrolyte development. Here, it is demonstrated that the hydrogen bonding interaction between diluent and solvent is crucial for the construction of LHCEs and corresponding interphase chemistries. The 2,2,2‐trifluoroethyl trifluoromethane sulfonate (TFSF) is selected as diluent with the solvent dimethoxy‐ethane (DME) to prepare a non‐flammable LHCE for high voltage LMBs. This is first find that the hydrogen bonding interaction between TFSF and DME solvent tailors the electrolyte solvation structures by weakening the coordination of DME molecules to Li+ cations and allows more participation of anions in the first solvation shell, leading to the formation of aggregates (AGGs) clusters which are conducive to generating inorganic solid/cathodic electrolyte interphases (SEI/CEIs). The proposed TFSF based LHCE enables the Li||NCM811 (LiNi0.8Mn0.1O2) batteries to realize >80% capacity retention with a high average Coulombic efficiency of 99.8% for 230 cycles under aggressive conditions (NCM811 cathode: 3.4 mAh cm−2, cut‐off voltage: 4.4 V, and 20 µm Li foil).
Recent Progress of Advanced Functional Separators in Lithium Metal Batteries
Authors: Seo Junhyeok , Im Juyeon , Kim Minjae , Song Dahee , Yoon Sukeun , Cho Kuk Young 
Published: March 2024

AbstractAs a representative in the post‐lithium‐ion batteries (LIBs) landscape, lithium metal batteries (LMBs) exhibit high‐energy densities but suffer from low coulombic efficiencies and short cycling lifetimes due to dendrite formation and complex side reactions. Separator modification holds the most promise in overcoming these challenges because it utilizes the original elements of LMBs. In this review, separators designed to address critical issues in LMBs that are fatal to their destiny according to the target electrodes are focused on. On the lithium anode side, functional separators reduce dendrite propagation with a conductive lithiophilic layer and a uniform Li‐ion channel or form a stable solid electrolyte interphase layer through the continuous release of active agents. The classification of functional separators solving the degradation stemming from the cathodes, which has often been overlooked, is summarized. Structural deterioration and the resulting leakage from cathode materials are suppressed by acidic impurity scavenging, transition metal ion capture, and polysulfide shuttle effect inhibition from functional separators. Furthermore, flame‐retardant separators for preventing LMB safety issues and multifunctional separators are discussed. Further expansion of functional separators can be effectively utilized in other types of batteries, indicating that intensive and extensive research on functional separators is expected to continue in LIBs.
Thermal‐Responsive Gel‐Based Overheat Limiter Enabled Intelligent Photothermal Therapy
Authors: Chu Yanji , Wang Qianci , Lyu Shanzhi , Yuan Bin , Huang Jiahao , Li Ji , Wang Yapei 
Published: March 2024

AbstractUncontrolled and excessive photothermal heating in photothermal therapy (PTT) inevitably causes thermal damage to surrounding normal tissues, severely limiting the universality and safety of PTT. To address this issue, an intelligent cooling thermal‐responsive (ICTR) gel containing poly(N‐isopropylacrylamide‐co‐acrylamide) (P(NIPAM‐AM))microgel is applied onto the skin to realize intelligent PTT, which can avoid excessive heating and accidental injury. The high near‐infrared (NIR) light transmittance (> 95%) of the ICTR gel ensures effective light delivery at low temperatures, while the refractive index of the P(NIPAM‐AM) microgel increases remarkably when the temperature exceeds a predetermined threshold, resulting in progressively enhanced light scattering and weakened photothermal conversion. In animal studies, the negative feedback regulation of ICTR gel on light transmittance and photothermal heating allows the photothermal temperature in the lesion site to be stabilized within the effective therapeutic range (45 °C) while ensuring that the skin surface temperature does not exceed 35 °C. Compared with the severe skin thermal damage found in the histological staining of mice skin receiving conventional PTT, the mice skin receiving the ICTR gel‐enabled intelligent PTT remains in good condition. This study establishes an intelligent and universal paradigm for PTT thermal regulation, which is of great significance for achieving safe and effective PTT.