bluuebunny/crossref_metadata_2025 huggingface dataset:
MRI‐Based Machine Learning Radiomics for Preoperative Assessment of Human Epidermal Growth Factor Receptor 2 Status in Urothelial Bladder Carcinoma
Authors: Yu Ruixi , Cai Lingkai , Gong Yuxi , Sun Xueying , Li Kai , Cao Qiang , Yang Xiao , Lu Qiang
Published: March 2024

Background

The human epidermal growth factor receptor 2 (HER2) has recently emerged as hotspot in targeted therapy for urothelial bladder cancer (UBC). The HER2 status is mainly identified by immunohistochemistry (IHC), preoperative and noninvasive methods for determining HER2 status in UBC remain in searching.

Purposes

To investigate whether radiomics features extracted from MRI using machine learning algorithms can noninvasively evaluate the HER2 status in UBC.

Study Type

Retrospective.

Population

One hundred ninety‐five patients (age: 68.7 ± 10.5 years) with 14.3% females from January 2019 to May 2023 were divided into training (N = 156) and validation (N = 39) cohorts, and 43 patients (age: 67.1 ± 13.1 years) with 13.9% females from June 2023 to January 2024 constituted the test cohort (N = 43).

Field Strength/Sequence

3 T, T2‐weighted imaging (turbo spin‐echo), diffusion‐weighted imaging (breathing‐free spin echo).

Assessment

The HER2 status were assessed by IHC. Radiomics features were extracted from MRI images. Pearson correlation coefficient and the least absolute shrinkage and selection operator (LASSO) were applied for feature selection, and six machine learning models were established with optimal features to identify the HER2 status in UBC.

Statistical Tests

Mann–Whitney U‐test, chi‐square test, LASSO algorithm, receiver operating characteristic analysis, and DeLong test.

Results

Three thousand forty‐five radiomics features were extracted from each lesion, and 22 features were retained for analysis. The Support Vector Machine model demonstrated the best performance, with an AUC of 0.929 (95% CI: 0.888–0.970) and accuracy of 0.859 in the training cohort, AUC of 0.886 (95% CI: 0.780–0.993) and accuracy of 0.846 in the validation cohort, and AUC of 0.712 (95% CI: 0.535–0.889) and accuracy of 0.744 in the test cohort.

Data Conclusion

MRI‐based radiomics features combining machine learning algorithm provide a promising approach to assess HER2 status in UBC noninvasively and preoperatively.

Evidence Level

2

Technical Efficacy

Stage 3
Rotten apples in bad barrels: Psychopathy, counterproductive work behavior, and the role of social context
Authors: Carter Min Z. , Cole Michael S. , Bernerth Jeremy B. , Harms Peter D. , Wilhau Aric , Palmer Joshua C.
Published: March 2024

There is an inherent interest in the implications of psychopathic employees, although attention, to date, is more pronounced in public media than in the scientific literature. In this study, we use behavioral threshold theory to propose a curvilinear relationship between employees' psychopathy and their counterproductive work behavior (CWB). Our predictions were corroborated across three studies involving two countries while controlling for narcissism and Machiavellianism. Specifically, we find that the destructive nature of psychopathy is amplified with accelerated levels of CWB among individuals high on psychopathy. These results address mixed and unexpected findings in the literature, thereby offering a more nuanced understanding of the psychopathy–CWB relationship. Drawing additionally on trait activation theory, we examine the moderating effects of social context as manifested in relationship conflict with coworkers and abusive supervision. Results support the moderated hypotheses such that the psychopathy–CWB curvilinear relationship is stronger in negative social environments for both self‐rated and other‐rated CWB assessments. As the relationships between individuals' dark traits and behavioral outcomes are likely more complex than simple linear relations, we advocate future research to combine complementary theoretical lenses for improved theoretical precision.
Functional alignment maximises advantages of robotic arm‐assisted total knee arthroplasty with better patient‐reported outcomes compared to mechanical alignment
Authors: Lee Jong Hwa , Kwon Seung Cheol , Hwang Ji Hyo , Lee Joon Kyu , Kim Joong Il
Published: March 2024

Purpose

Robotic arm‐assisted total knee arthroplasty (RTKA) enables adjustment of implant position to achieve the surgeon's preferred alignment. However, the alignment concept that most effectively enhances patient satisfaction remains unclear. This study compares the clinical outcomes of patients who underwent functionally aligned RTKA (FA‐RTKA), mechanically aligned conventional TKA (MA‐CTKA) and mechanically aligned RTKA (MA‐RTKA).

Methods

A prospectively collected database was retrospectively reviewed for patients who underwent primary TKA for knee osteoarthritis. One hundred and forty‐seven knees were performed with MA‐CTKA, followed by 72 consecutive knees performed with MA‐RTKA, and subsequently, 70 consecutive knees performed with FA‐RTKA were enrolled. After 1:1 propensity score matching of patient demographics, 70 knees were finally included in each group. The extent of additional soft tissue release during surgery was identified, and the Coronal Plane Alignment of the Knee classification was utilised to categorise the alignment. At the 1‐year follow‐up, patient‐reported outcomes, including the pain Visual Analogue Scale, Knee Society Score, Western Ontario and McMaster Universities Arthritis Index and Forgotten Joint Score‐12, were also compared among the groups.

Results

The FA‐RTKA group showed significantly less additional soft tissue release than the MA‐CTKA and MA‐RTKA groups (15.7%, 38.6% and 35.7%, respectively; p = 0.006). Statistically significant differences in functional scores were observed in the postoperative 1‐year clinical outcomes in favour of the FA‐RTKA group, which had a significantly larger percentage of knees that maintained constitutional alignment and joint line obliquity than those of the other groups.

Conclusions

Functionally aligned TKA showed superior 1‐year postoperative patient‐reported outcomes compared with those of conventional and robotic arm‐assisted mechanically aligned TKA. Therefore, the advantage of RTKA is maximised when the implant positioning is based on functional alignment. The application of RTKA with mechanical alignment has been proven ineffective in improving the clinical outcomes of patients.

Level of Evidence

Level III.
Females show worse functional outcome and quality of life compared to males 2 years after meniscus surgery: Data analysis from the German Arthroscopy Registry
Authors: Mai Celine , Mai Patrick , Hinz Maximilian , Saenger Rebecca , Seil Romain , Tischer Thomas , Roessler Philip P.
Published: March 2024

Purpose

The purpose of this study was to investigate the impact of sex on knee function, activity and quality of life following meniscus surgery using data from the German Arthroscopy Registry.

Methods

This is a retrospective cohort study with data collected between 2017 and 2022. Patient‐reported outcome measures (PROMs), namely Knee Injury and Osteoarthritis Outcome Score (KOOS), EuroQol Visual Analogue Scale (EQ Scale), and Marx Activity Rating Scale (MARS), were collected preoperatively and at 6, 12 and 24 months postoperatively. Data were analysed to examine differences between male and female patients regarding PROMs, pre‐existing conditions, meniscus lesion types and surgical treatments.

Results

A total of 1106 female (36.6%) and 1945 male patients (63.7%) were included. Males were significantly younger than females and had a higher body mass index. Overall, there were four times more medial meniscus lesions (MMLs) (77.5%) than lateral meniscus lesions (LMLs) (27.9%). Degenerative LMLs were more frequent in females, while traumatic LMLs were more common in males. Frequencies of traumatic and degenerative MMLs were similar among males and females. Males had higher absolute KOOS irrespective of treatment or meniscus lesion type. Meniscus repair resulted in similar improvements in ΔKOOS for both sexes, while meniscus resection exhibited higher absolute KOOS for males at each time point. Males generally had higher EQ Scale and MARS than females.

Conclusion

Greater improvements in knee function, activity and quality of life were observed in males. While MMLs appear to be comparable among sexes, the nature of LML differed significantly. These results may help surgeons to refine patient selection for specific treatments to improve overall clinical outcomes.

Level of Evidence

Level III.
Patient experience of partnership: What is the relative value of interpersonal skill?
Authors: Bell Elizabeth
Published: March 2024

Medical literature seems not to have a consistent definition of interpersonal skills, but there is a consensus on the value of emotional intelligence, empathy and effective communication. This editorial reflects on both empirical data and personal experience to consider the relative value of interpersonal versus technical skills in the patient experience of partnership in healthcare. It explores the question of whether technical or interpersonal skills are more valuable in medical care. On highlighting the different attitudes towards technical and interpersonal skills among patients in different medical specialities, this editorial suggests that the contemporary focus on interpersonal skills is driven by a recognition that patient experience encompasses more than just successful outcomes. The quality of a patient's remaining life and their sense of respect, care and dignity are also important. It concludes with the emphasis that both technical and interpersonal skills are crucial in patient care and that a holistic understanding of patient experience can enhance medical education and practice.
An Investigation into the Applicability of Wideline NMR for the Determination of Oil in Waxes
Authors: Matthews Megan Esme , Duveskog Heidi , van Reenen Albert Johannes
Published: March 2024

The applicability of solid‐state NMR (Nuclear Magnetic Resonance) for determination of oil content in waxes is probed by NMR experimental and data processing approaches. NMR is found to underestimate the value of the oil content in Fischer‐Tropsch (FT) waxes due to the ability of the wax to trap small domains of oil within the matrix during crystallisation. No clear relationship could be obtained between T2 relaxation time and oil content, even after applying corrections due to disparities between mass and proton densities. Near linear calibration curves could be obtained by isolating a true oil signal at −32 °C. Model studies using heptadecane as simple oil analogue proved that removing oil/wax interactions and only using the oil as a diluent, near linear calibration curves could be attained. Insight into the mechanism of oil retention in both FT and paraffin waxes is obtained, showing differences due to both molecular and morphological variation. Results showed that, due to underlying molecular interactions, linear calibration curves cannot necessarily be expected even when melting behaviour varies linearly. In applications where oil content plays a crucial role in wax properties, this knowledge enables the industry to make more informed decisions when discrepancies in wax performance arise.
Protein‐Mediated ZnO Synthesis for Self‐Healing in Natural Rubber
Authors: Fueangphakdee Piriyaphron , Nimpaiboon Adun , Junkong Preeyanuch
Published: March 2024

Natural rubber (NR) consists of mainly cis‐1,4‐polyisoprene with proteins as notable nonrubber components that significantly influence its properties. A relatively unexplored aspect is the role of these proteins in reducing and stabilizing metal ions to form metallic particles. Here, the NR/ZnO composite is successfully prepared by in situ generation of ZnO in the NR latex for the first time. With the aid of the proteins, the amount of ZnO is slightly higher than that formed in the saponified NR latex (SPNR), where some proteins are removed. Importantly, the noncovalent bonds between the proteins and/or amino acids with the ZnO formed in the NR latex can provide the self‐healing behavior of the NR/ZnO composite. However, heating at ≈40 °C is still necessary for reducing the healing time and increasing the self‐healing efficiency of the composite. Nevertheless, greater noncovalent bonds within NR/ZnO hinder rubber molecular chain interdiffusion and rearrangement essential for self‐healing behavior in uncross‐linked rubber, resulting in lower healing efficiency compared to SPNR/ZnO. This study underscores the significance of proteins and/or amino acids on NR's properties, despite their minor presence. Without sophisticated NR modification, this is a very simple and low‐cost technique to achieve the NR/ZnO composite with self‐healing behavior.
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

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

BACKGROUND

The 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.

RESULTS

Here, 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.

CONCLUSION

We 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

BACKGROUND

The 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.

RESULTS

Brown 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.

CONCLUSIONS

Sulphur 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

BACKGROUND

The 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.

RESULTS

The 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.

CONCLUSION

The 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.
Quick Large‐Area Detection of Thin Silicone Films with Coherent Raman Scattering Imaging
Authors: Naser Julian , Sarau George , Wrege Jan , Schmidt Michael , Christiansen Silke
Published: March 2024

Coherent Raman Scattering Imaging offers quick and surface‐sensitive large‐area scans of specimens including fingerprinting of the substances, combined with low detection limits. By using a multi‐photon process, it offers orders of magnitude stronger surface signal in comparison to spontaneous Raman (SR) and fluorescence signals of the substrate are avoided by the detection principle and the near‐infrared laser wavelength. By exciting at a specific wavelength instead of measuring whole spectra the measurement time is remarkably reduced. Here, detecting organic thin films on glass surfaces is investigated. The detection of those thin films is relevant for production processes where the interfacial layer is influenced by the low surface energy of contaminants, especially polysiloxanes. The samples are manufactured by pipetting diluted polydimethylsiloxane (PDMS) in heptane in various concentrations (1%, 0.1%, 0.01%, and 0.001%) on glass substrates. After evaporation of the solvent, thin films of the silicone remain. The resulting average coverage of the thin films equals 100–0.1 μg cm−2. Measurements determine the detectability threshold with SR to 10 μg cm−2, while the acquired spectrum is used to determine characteristic peaks for the pump laser. Afterwards the samples are imaged at those wavenumbers with Coherent Raman Scattering (CRS) Imaging techniques providing a chemically‐specific contrast.
Synergistic Enhancement of Photocatalytic and Antifungal Activities in Microwave‐Assisted ZnO/Fe‐Doped Bi2O3 Nanocomposites
Authors: Mane Vijay A. , Dake Dnayneshwar V. , Raskar Nita D. , Sonpir Ramprasad B. , Dole Babasaheb N.
Published: March 2024

Herein, the successful synthesis of ZnO/Fe‐doped Bi2O3 nanocomposite through a microwave‐assisted coprecipitation method is reported. The fabricated materials are comprehensively characterized using X‐ray diffraction, field‐emission scanning electron microscopy, energy dispersive X‐ray analysis, UV–vis, vibrating sample magnetometer, and photoluminescence techniques. The results of the investigation unveil a reduction in crystalline size, a low bandgap of 1.7 eV, and notable improvements in magnetization and surface area (50.63 m2 g−1) upon the incorporation of ZnO and Fe doping into Bi2O3. Remarkably, the ZnO/5% Fe‐doped Bi2O3 composite demonstrates 86.34% degradation of methylene blue (MB) dye within 60 min. Furthermore, this composite exhibits significant antifungal activity, as evidenced by a zone of inhibition diameter of 20 mm against Aspergillus flavus. Ongoing studies are investigating the impact of pH, inorganic ions, scavenger mechanisms, and MB degradation. These findings underscore the synergistic effects of ZnO and Fe, which enhance the absorption of photons that decrease the recombination rate and increase the charge transfer of Bi2O3, contributing to the improved material properties of the ZnO/5% Fe‐doped Bi2O3 composite. This study paves the way for further exploration of the multifunctional properties of ZnO/Fe‐doped Bi2O3 nanocomposites in diverse environmental and biomedical applications.
Investigation of Phase Segregation Dynamics in Ge‐Rich GST Thin Films by In Situ X‐Ray Fluorescence Mapping
Authors: Fernandes Thomas , Texier Michael , Hans Philipp , Mocuta Cristian , Comby‐Dassonneville Solène , Navarro Gabriele , Jeannot Simon , Cornelius Thomas W. , Han Madeleine , Ruiz Jaime Segura , Rosenthal Martin , le Friec Yannick , Simola Roberto , Thomas Olivier
Published: March 2024

Ge‐rich Ge–Sb–Te alloy is a good candidate for future automotive applications due to its high crystallization temperature, which allows good data retention at elevated temperatures. Crystallization in this material is governed by elemental segregation which is key to thermal stability and device performance. In this work, elemental (Ge, Sb, Te) segregation is studied in situ during thermal annealing of Ge‐rich Ge–Sb–Te thin films using X‐ray fluorescence microscopy at ID16B beamline of ESRF with a beam size of 50 nm. Spatially resolved maps of Ge, Te, and Sb fluorescence yield are monitored and statistically analyzed as a function of temperature/time. In all investigated samples Sb appears to segregate much less than Te and Ge, indicating a lower mobility of this element. In situ, fluorescence mapping of samples doped with different amounts of carbon by ion implantation shows that carbon delays Ge and Te segregation to higher temperatures. Comparison with crystallization kinetics monitored by X‐ray diffraction shows a good correlation between the occurrence of spatially resolved chemical inhomogeneities and the appearance of crystallized phases.
Measuring and Assessing Long‐Duration Impacts for Truck and Trailer
Authors: Ge Changfeng , Leinberger David , Dunno Kyle
Published: March 2024

A 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

Rationale

Mass 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]).

Methods

A 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.

Results

The 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.

Conclusions

This 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

This 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

Traditional 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

Mechanoluminescence (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

A 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

Local 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

As 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

Uncontrolled 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.
Reversible Sensing Technologies Using Upcycled TPEE: Crafting pH and Light Responsive Materials towards Sustainable Monitoring
Authors: Chang Chun‐Ting , Kuo Kai‐Chuan , Ho Jhih‐Hao , Lee Lin‐Ruei , Gautam Bhaskarchand , Ciou Jian‐Hua , Tseng Yu‐Hsuan , Chang Chia‐Wei , Wu Chia‐Ti , Lin Che‐Tseng , Chen Jiun‐Tai
Published: March 2024

Multiresponsive materials with reversible and durable characteristics are indispensable because of their promising applications in environmental change detections. To fabricate multiresponsive materials in mass production, however, complex reactions and impractical situations are often involved. Herein, a dual responsive (light and pH) spiropyran‐based smart sensor fabricated by a simple layer‐by‐layer (LbL) assembly process from upcycled thermoplastic polyester elastomer (TPEE) materials derived from recycled polyethylene terephthalate (r‐PET) is proposed. Positively charged chitosan solutions and negatively charged merocyanine‐COOH (MC‐COOH) solutions are employed in the LbL assembly technique, forming the chitosan‐spiropyran deposited TPEE (TPEE‐CH‐SP) film. Upon UV irradiation, the spiropyran‐COOH (SP‐COOH) molecules on the TPEE‐CH‐SP film undergo the ring‐opening isomerization, along with an apparent color change from colorless to purple, to transform into the MC‐COOH molecules. By further exposing the TPEE‐CH‐MC film to hydrogen chloride (HCl) and nitric acid (HNO3) vapors, the MC‐COOH molecules can be transformed into protonated merocyanine‐COOH (MCH‐COOH) with the simultaneous color change from purple to yellow.
Defect Engineering Centrosymmetric 2D Material Flexocatalysts
Authors: Chen Yu‐Ching , Chen Po‐Han , Liao Yin‐Song , Chou Jyh‐Pin , Wu Jyh Ming
Published: March 2024

In this study, the flexoelectric characteristics of 2D TiO2 nanosheets are examined. The theoretical calculations and experimental results reveal an excellent strain‐induced flexoelectric potential (flexopotential) by an effective defect engineering strategy, which suppresses the recombination of electron–hole pairs, thus substantially improving the catalytic activity of the TiO2 nanosheets in the degradation of Rhodamine B dye and the hydrogen evolution reaction in a dark environment. The results indicate that strain‐induced bandgap reduction enhances the catalytic activity of the TiO2 nanosheets. In addition, the TiO2 nanosheets degraded Rhodamine B, with kobs being ≈1.5 × 10−2 min−1 in dark, while TiO2 nanoparticles show only an adsorption effect. 2D TiO2 nanosheets achieve a hydrogen production rate of 137.9 µmol g−1 h−1 under a dark environment, 197% higher than those of TiO2 nanoparticles (70.1 µmol g−1 h−1). The flexopotential of the TiO2 nanosheets is enhanced by increasing the bending moment, with excellent flexopotential along the y‐axis. Density functional theory is used to identify the stress‐induced bandgap reduction and oxygen vacancy formation, which results in the self‐dissociation of H2O on the surface of the TiO in the dark. The present findings provide novel insights into the role of TiO2 flexocatalysis in electrochemical reactions.
Evidence of Selection in Mineral Mediated Polymerization Reactions Executed in a Robotic Chemputer System
Authors: Asche Silke , Pow Robert W. , Mehr Hessam M. , Cooper Geoffrey J. T. , Sharma Abhishek , Cronin Leroy
Published: March 2024

It has long been thought that abiogenesis requires a process of selection and evolution at the molecular level, but this process is hard to explore experimentally. One solution could be the use of automation in experiments which could allow for traceability and the ability to explore a larger reaction space. We report a fully programmable and automated platform to explore the reactions of amino acids in the presence of mineral environments. The robotic system is based upon the Chemputer system which has well defined modules, software, and a chemical programming language to orchestrate the chemical processes, including analysis. The reaction mixtures were analysed with tandem mass spectrometry and a peptide sequencing algorithm. Each experiment was screened for 1,398,100 possible unique sequences, and more than 550 specifically defined sequences were confirmed experimentally. This work aimed to develop a new understanding of selection in repeated cycles of polymerisation reactions to explore the emergence of well‐defined amino acid sequences. We found that the outcome of oligomerisation was significantly influenced by the presence of different minerals, and that a serpentine environment selects glycine and phenylalanine rich fragments that enable the formation of longer oligomers with well‐defined sequences as a function of cycle number.
A Review on the Synthetic Methods towards Benzothienobenzothiophenes
Authors: S. K. Nandana , P. Rahul , Ann Babu Sheba , John Jubi , Hopf Henning
Published: March 2024

Benzothienobenzothiophenes (BTBTs) are a class of heteroacenes for which two distinct isomers have been identified depending on the locations of the fused benzothiophene motifs. Benzothienobenzothiophenes represent a class of heteroacenes demonstrating remarkable electronic properties that make them prominent in the realm of organic semiconductors. The structure of BTBTs, incorporating two sulfur atoms, contributes to their unique electronic characteristics, including narrow bandgaps and effective charge transport pathways. These compounds have gained attention for their high charge carrier mobility, making them desirable candidates for application in organic field‐effect transistors (OFETs) and other electronic devices. Researchers have explored various synthetic strategies to design and tailor the properties of BTBT derivatives, leading to advancements in the development of high‐performance organic semiconductors. Various synthetic techniques for benzothienobenzothiophenes have been reported in the literature including multistep synthesis, tandem transformations, electrochemical synthesis, and annulations. This review investigates the generality of each synthetic methodology by highlighting its benefits and drawbacks, and it analyses all synthetic approaches described for the creation of the two isomers. For the advantage of the readers, we have delved upon every mechanism of the reactions that are known. Finally, we have also summarized the synthetic methodologies that are used for making benzothienobenzothiophene analogues for material applications.