bluuebunny/crossref_metadata_2025 huggingface dataset:
Pursuing Superhydrophobic Flexible Strain Sensors: From Design to Applications
Authors: Yao Wanchen , Lin Xiangde , Zhang Zeshan , Sun Qijun , Yang Hui
Published: February 2024

Flexible strain sensors are being increasingly applied as wearable electronic materials owing to their functional characteristics (e.g., light weight, stretchability, wearability), which highlight their enormous potential in health monitoring and medical care. However, challenges related to signal distortion and corrosion risks arise when they are used under extreme or harsh conditions. Superhydrophobic flexible strain sensors combine the water‐repellent, anticorrosion, and anti‐fouling features of the superhydrophobic coating with the high ductility and high sensitivity of the flexible strain sensor, thereby broadening the application scope of strain sensors, especially for underwater wearable sensing. However, the underwater sensing applications of superhydrophobic flexible strain sensors have not yet been thoroughly summarized. This review presents the key performance parameters and design strategies of superhydrophobic flexible strain sensors, with an emphasis on the diverse applications for underwater sensing.
Polymers for Aqueous Zinc‐Ion Batteries: From Fundamental to Applications Across Core Components
Authors: Niu Ben , Wang Jia , Guo Yalan , Li Zhengang , Yuan Chengyao , Ju Anqi , Wang Xin
Published: February 2024

Aqueous zinc‐ion batteries (AZIBs) comprising zinc anodes hold intrinsic safety and high energy density ideally for distributed and large‐scale energy storage, thus have generated intriguing properties and increasing research interests. Unlike organic batteries, AZIBs require different, sometimes even opposite design principles and preparation strategies in solvent, electrolyte, and separator. This is especially true for the polymer materials that are widely used as critical components in stabilizing metal anodes and functioning as high‐performance safe cathode materials. This review discusses the explicit compositional and structural requisite of polymeric components in AZIBs, with an emphasis on the exclusive molecular structure–property relationship that governs the stability, reversibility, and capacity of these devices. The usage of polymers is classified into five categories aligning with the primary architecture of AZIBs: separators, additives, hydrogel electrolytes, coatings, and electrode materials. The most recent advances in the structure/property interplay of polymers by novel synthesis and preparation techniques targeting stable AZIBs are summarized and discussed. The challenges and perspectives of multifunctional polymers in developing high‐performance AZIBs are also proposed.
RhCuBi Trimetallenes with Composition Segregation Coupled Crystalline‐Amorphous Heterostructure Toward Ethanol Electrooxidation
Authors: Li Fu‐Min , Xia Chenfeng , Fang Wensheng , Chen Yu , Xia Bao Yu
Published: February 2024

The inefficiency of Pt and Pd benchmark catalysts in achieving complete ethanol oxidation, coupled with their inherent susceptibility to poisoning, poses a significant obstacle to the advancement of direct ethanol fuel cells. In this study, the development of self‐supported and ultrathin RhCuBi trimetallenes, demonstrating exceptional performance in ethanol electrooxidation through segregation and interface engineering is presented. The distinctive RhBi‐rich crystalline/RhCu‐rich amorphous heterostructure of RhCuBi trimetallenes creates a wealth of highly active interfacial sites for the ethanol oxidation reaction (EOR). This results in an impressive 43.3% Faradaic efficiency for the C1 pathway and a peak mass activity of 1.11 A mgRh−1 at 0.68 V versus reversible hydrogen electrode. Moreover, RhCuBi trimetallenes retain 60% of their initial mass activity after 8.5 h of constant potential electrolysis, outperforming commercial Pd and Pt catalysts (<3%). In/ex situ infrared spectroscopy directly reveals the generated C1 products and the key CH3CO* intermediates for EOR on RhCuBi trimetallenes. Theoretical calculations confirm that the RhBi alloy, particularly the lattice‐stretched crystalline/amorphous interfacial sites, facilitates the adsorption/activation of ethanol and the dehydrogenation of CH3CO* toward the C1 pathway of EOR. This breakthrough offers promising prospects for enhancing the efficiency and stability of ethanol electrooxidation in fuel cell applications.
Rapid facial mimicry in Platyrrhini: Play face replication in spider monkeys (Ateles fusciceps, Ateles hybridus, and Ateles paniscus)
Authors: Cordoni Giada , Ciantia Annalisa , Guéry Jean‐Pascal , Mulot Baptiste , Norscia Ivan
Published: February 2024

Rapid facial mimicry (RFM), the rapid and automatic replication of facial expression perceived, is considered a basic form of empathy and was investigated mainly during play. RFM occurs in Catarrhini (Old World primates), but it is not still demonstrated in Platyrrhini (New World primates). For this reason, we collected video data on playful interactions (Nplay_interactions = 149) in three species of spider monkeys (Ateles fusciceps—N = 11, Ateles hybridus—N = 14, and Ateles paniscus—N = 6) housed at La Vallée des Singes and the ZooParc de Beauval (France). For the first time, we demonstrated the occurrence of RFM in Platyrrhini (analyzing 175 events). Players' sex, age, species, relationship quality, and kinship did not modulate RFM probably due to the species' complex fission–fusion dynamics and flexible interindividual social relationships. Compared to the absence of any playful expressions or the presence of only not replicated play face, RFM prolonged the session duration and was sequentially associated with more types of more intense offensive playful patterns (patterns aimed at attacking/pursuing the playmate). We proposed that RFM may favor synchronization and context sharing between players, thus decreasing the risk of behavior misinterpretation while simultaneously fostering a more competitive nature of play. In conclusion, this study stimulates additional research on the evolutionary origins of motor mimicry in primates, possibly dating back to before the divergence of New and Old World monkeys. Furthermore, it also points toward the possibility that RFM may not always lead to cooperation but also to competition, depending on the context and species' social and cognitive features.
Three‐dimensional histology reveals dissociable human hippocampal long‐axis gradients of Alzheimer's pathology
Authors: Ortega‐Cruz Diana , Bress Kimberly S. , Gazula Harshvardhan , Rabano Alberto , Iglesias Juan Eugenio , Strange Bryan A.
Published: February 2024

INTRODUCTION

Three‐dimensional (3D) histology analyses are essential to overcome sampling variability and understand pathological differences beyond the dissection axis. We present Path2MR, the first pipeline allowing 3D reconstruction of sparse human histology without a magnetic resonance imaging (MRI) reference. We implemented Path2MR with post‐mortem hippocampal sections to explore pathology gradients in Alzheimer's disease.

METHODS

Blockface photographs of brain hemisphere slices are used for 3D reconstruction, from which an MRI‐like image is generated using machine learning. Histology sections are aligned to the reconstructed hemisphere and subsequently to an atlas in standard space.

RESULTS

Path2MR successfully registered histological sections to their anatomic position along the hippocampal longitudinal axis. Combined with histopathology quantification, we found an expected peak of tau pathology at the anterior end of the hippocampus, whereas amyloid‐beta (Aβ) displayed a quadratic anterior‐posterior distribution.

CONCLUSION

Path2MR, which enables 3D histology using any brain bank data set, revealed significant differences along the hippocampus between tau and Aβ.

Highlights

Path2MR enables three‐dimensional (3D) brain reconstruction from blockface dissection photographs.

This pipeline does not require dense specimen sampling or a subject‐specific magnetic resonance (MR) image.

Anatomically consistent mapping of hippocampal sections was obtained with Path2MR.

Our analyses revealed an anterior‐posterior gradient of hippocampal tau pathology.

In contrast, the peak of amyloid‐beta (Aβ) deposition was closer to the hippocampal body.
Neural stem cell–derived exosomes regulate cell proliferation, migration, and cell death of brain microvascular endothelial cells via the miR‐9/Hes1 axis under hypoxia
Authors: Deng Xiaojun , Hu Xiaoyi , Wang Shang , Zhao Hui , Wei Yaqin , Fu Jiaqi , Wu Wenhui , Liu Jinming , Zhang Caicai , Wang Lili , Yuan Ping
Published: February 2024

Background

Our previous study found that mouse embryonic neural stem cell (NSC)–derived exosomes (EXOs) regulated NSC differentiation via the miR‐9/Hes1 axis. However, the effects of EXOs on brain microvascular endothelial cell (BMEC) dysfunction via the miR‐9/Hes1 axis remain unknown. Therefore, the current study aimed to determine the effects of EXOs on BMEC proliferation, migration, and death via the miR‐9/Hes1 axis.

Methods

Immunofluorescence, quantitative real‐time polymerase chain reaction, cell counting kit‐8 assay, wound healing assay, calcein‐acetoxymethyl/propidium iodide staining, and hematoxylin and eosin staining were used to determine the role and mechanism of EXOs on BMECs.

Results

EXOs promoted BMEC proliferation and migration and reduced cell death under hypoxic conditions. The overexpression of miR‐9 promoted BMEC proliferation and migration and reduced cell death under hypoxic conditions. Moreover, miR‐9 downregulation inhibited BMEC proliferation and migration and also promoted cell death. Hes1 silencing ameliorated the effect of amtagomiR‐9 on BMEC proliferation and migration and cell death. Hyperemic structures were observed in the regions of the hippocampus and cortex in hypoxia‐induced mice. Meanwhile, EXO treatment improved cerebrovascular alterations.

Conclusion

NSC‐derived EXOs can promote BMEC proliferation and migration and reduce cell death via the miR‐9/Hes1 axis under hypoxic conditions. Therefore, EXO therapeutic strategies could be considered for hypoxia‐induced vascular injury.
Transpassive Metallauflösung vs. Sauerstoffentwicklung: Auswirkungen auf Legierungsstabilität und Elektrokatalyse
Authors: Wetzel Annica , Morell Daniel , von der Au Marcus , Wittstock Gunther , Ozcan Ozlem , Witt Julia
Published: February 2024

Multi‐Hauptelement‐Legierungen (MPEAs) gewinnen in der Korrosions‐ und Elektrokatalyseforschung aufgrund ihrer elektrochemischen Stabilität über einen breiten pH‐Bereich und der Vielfalt der möglichen chemischen Zusammensetzungen zunehmend an Interesse. In unseren Untersuchungen mit der äquimolaren CrCoNi‐Legierung in einem sauren Elektrolyten (0.1 M NaCl, pH 2) beobachteten wir eine signifikante Metallauflösung, die mit der Sauerstoffentwicklungsreaktion (OER) im transpassiven Bereich einhergeht, obwohl in zyklischen Polarisationskurven keine Hysterese auftrat oder andere offensichtliche Korrosionsindikatoren vorlagen. In diesem Artikel wird ein Charakterisierungskonzept eingeführt, dass die Beiträge der OER und der Legierungsauflösung differenziert. Hierfür kommt die elektrochemische Rastermikroskopie (SECM) zum Nachweis des Beginns der OER und die quantitative chemische Analyse mit induktiv gekoppelter Massenspektrometrie (ICP‐MS) und UV/Vis‐Spektrometrie zur Aufklärung der Metallauflösungsprozesse zum Einsatz. Die elektrochemische In situ‐Atomkraftmikroskopie (EC‐AFM) zeigte, dass die intergranulare Korrosion der dominierende Mechanismus der transpassive Metallauflösung von CrCoNi ist. Diese Ergebnisse besitzen erhebliche Auswirkungen für die Beurteilung der Stabilität von MPEAs in Korrosionssystemen und der Stromausbeute von OER‐Katalysatoren auf der Basis von MPEAs. Die Daten unterstreichen die Notwendigkeit der analytischen Bestimmung von Metallionen, die von MPEA‐Elektroden freigesetzt werden. Die Freisetzung von Übergangsmetallionen verringert nicht nur die Stromausbeute von Elektrolyseuren, sondern kann zu einer Schädigung von Membranen in elektrochemischen Reaktoren führen.
Scalable Synthesis of Robust MOF for Challenging Ethylene Purification and Propylene Recovery with Record Productivity
Authors: Wang Gang‐Ding , Li Yong‐Zhi , Krishna Rajamani , Zhang Wen‐Yan , Hou Lei , Wang Yao‐Yu , Zhu Zhonghua
Published: February 2024

Ethylene (C2H4) purification and propylene (C3H6) recovery are highly relevant in polymer synthesis, yet developing physisorbents for these industrial separation faces the challenges of merging easy scalability, economic feasibility, high moisture stability with great separation efficiency. Herein, we reported a robust and scalable MOF (MAC‐4) for simultaneous recovery of C3H6 and C2H4. Through creating nonpolar pores decorated by accessible N/O sites, MAC‐4 displays top‐tier uptakes and selectivities for C2H6 and C3H6 over C2H4 at ambient conditions. Molecular modelling combined with infrared spectroscopy revealed that C2H6 and C3H6 molecules were trapped in the framework with stronger contacts relative to C2H4. Breakthrough experiments demonstrated exceptional separation performance for binary C2H6/C2H4 and C3H6/C2H4 as well as ternary C3H6/C2H6/C2H4 mixtures, simultaneously affording record productivities of 27.4 and 36.2 L kg−1 for high‐purity C2H4 (≥99.9 %) and C3H6 (≥99.5 %). MAC‐4 was facilely prepared at deckgram‐scale under reflux condition within 3 hours, making it as a smart MOF to address challenging gas separations.
A Multilayered Post–Genome‐Wide Association Study Analysis Pipeline Defines Functional Variants and Target Genes for Systemic Lupus Erythematosus
Authors: Fazel‐Najafabadi Mehdi , Looger Loren L. , Rallabandi Harikrishna Reddy , Nath Swapan K.
Published: February 2024

Objective

Systemic lupus erythematosus (SLE), an autoimmune disease with incompletely understood etiology, has a strong genetic component. Although genome‐wide association studies (GWASs) have revealed multiple SLE susceptibility loci and associated single‐nucleotide polymorphisms (SNPs), the precise causal variants, target genes, cell types, tissues, and mechanisms of action remain largely unknown.

Methods

Here, we report a comprehensive post‐GWAS analysis using extensive bioinformatics, molecular modeling, and integrative functional genomic and epigenomic analyses to optimize fine‐mapping. We compile and cross‐reference immune cell–specific expression quantitative trait loci (cis– and trans–expression quantitative trait loci) with promoter capture high‐throughput capture chromatin conformation (PCHi‐C), allele‐specific chromatin accessibility, and massively parallel reporter assay data to define predisposing variants and target genes. We experimentally validate a predicted locus using CRISPR/Cas9 genome editing, quantitative polymerase chain reaction, and Western blot.

Results

Anchoring on 452 index SNPs, we selected 9,931 high linkage disequilibrium (r2 > 0.8) SNPs and defined 182 independent non‐human leukocyte antigen (HLA) SLE loci. The 3,746 SNPs from 143 loci were identified as regulating 564 unique genes. Target genes are enriched in lupus‐related tissues and associated with other autoimmune diseases. Of these, 329 SNPs (106 loci) showed significant allele‐specific chromatin accessibility and/or enhancer activity, indicating regulatory potential. Using CRISPR/Cas9, we validated reference SNP identifier 57668933 (rs57668933) as a functional variant regulating multiple targets, including SLE‐risk gene ELF1 in B cells.

Conclusion

We demonstrate and validate post‐GWAS strategies for using multidimensional data to prioritize likely causal variants with cognate gene targets underlying SLE pathogenesis. Our results provide a catalog of significantly SLE‐associated SNPs and loci, target genes, and likely biochemical mechanisms to guide experimental characterization.
The Clinical Anatomy Fellowship: Revolutionizing curricular experiences for faculty and students
Authors: Murtha Celeste M. , Thiel Grace E. , Dennis Jennifer F. , Hopper Mari
Published: February 2024

Fellows completing the Clinical Anatomy Fellowship at Kansas City University assist Anatomy faculty in the Gross Anatomy laboratory, complete robust research projects, and support other departments. The program's positive impact on participants has been reported; however, the impact on individuals interfacing with Fellows has not been investigated. A follow‐up, survey‐based (Likert scale, multiple‐choice, open‐ended) study was conducted to evaluate faculty, staff, and student perceptions of the program. Ninety‐five percent of surveyed faculty and staff (n = 22) perceived the Fellows as beneficial to students, faculty, and the university (p < 0.05) by acting as role models (95%) and mentors (90%), contributing to educational processes (90%), and reducing faculty work burden (81%) (p < 0.05). Student responses (n = 95) were also positive: 97% perceived interactions with Fellows as beneficial (p < 0.05). A passion for Anatomy (mean, 4.6; p < 0.05) and the opportunity to increase competitiveness for residency (mean, 4.5; p < 0.05) were the most important factors driving interest in the Fellowship (Cronbach's alpha, 0.766). In contrast, diverting a year from the school's curriculum (mean, 4.4; p < 0.05) and delaying clinical experiences (mean, 4.3; p < 0.05) were the most important deterrents (Cronbach's alpha, 0.505). Additionally, the financial investment required by the program is lower than that associated with hiring full‐time faculty. Analysis comparing employment of Fellows versus associate‐level faculty identified annual net savings of $370,000. Not only does the Fellowship augment faculty and student experiences at the university, but it also allows for substantial cost savings. Collectively, these data are evidence for other health professional institutions to consider adopting a similar program.
Production and characterization of cellulose acetate using olive tree pruning biomass as feedstock
Authors: Rodríguez‐Liébana José Antonio , Robles‐Solano Esther , Jurado‐Contreras Sofia , Morillas‐Gutiérrez Francisca , Moya Alberto J. , Mateo Soledad , Navas‐Martos Francisco Javier , La Rubia M. Dolores
Published: February 2024

Olive tree pruning (OTP) is one of the most abundant sources of biomass waste in the Mediterranean basin. This is especially relevant in southern Spain where olive oil production represents a large part of the economy. Olive tree prunings are mostly either burned or are spread in olive orchards as an organic amendment, or used for heat generation on a domestic scale. However, the lignocellulosic composition of OTP makes it a potential source of biopolymers, thus providing an excellent economic alternative for the olive oil sector. In this work, pretreated OTP fibers were subjected to an optimized alkaline treatment followed by a single‐step bleaching reaction with H2O2. Afterwards, the cellulose pulp was transformed chemically to obtain cellulose acetate. Noncellulosic components were removed effectively from OTP, thus obtaining a pulp highly purified in cellulose with 71% crystallinity and 355 °C maximum degradation temperature. Nevertheless, a very large amount of cellulose (ca. 50%) was eliminated throughout the process, especially during acid pretreatment, which was responsible for 38% solubilization. A similar level of acetylation and degree of substitution was obtained by using acetylation times in the range of 1 to 6 h. No large differences were observed in the infrared spectra and X‐ray diffractograms of the synthesized acetates. However, their thermal stability varied significantly with reaction time, evolving from a multistep degradation pattern to a single and sharp peak between 300 and 400 °C with increasing time. Thermogravimetric curves revealed that at least 5 h (preferably 6 h) were needed to obtain cellulose acetate from OTP with adequate thermal stability for further processing.
An optimized polymeric delivery system for piggyBac transposition
Authors: Meenakshi Sundaram Daniel Nisakar , Bahadur K. C. Remant , Fu Wei , Uludağ Hasan
Published: February 2024

The piggyBac transposon/transposase system has been explored for long‐term, stable gene expression to execute genomic integration of therapeutic genes, thus emerging as a strong alternative to viral transduction. Most studies with piggyBac transposition have employed physical methods for successful delivery of the necessary components of the piggyBac system into the cells. Very few studies have explored polymeric gene delivery systems. In this short communication, we report an effective delivery system based on low molecular polyethylenimine polymer with lipid substitution (PEI‐L) capable of delivering three components, (i) a piggyBac transposon plasmid DNA carrying a gene encoding green fluorescence protein (PB‐GFP), (ii) a piggyBac transposase plasmid DNA or mRNA, and (iii) a 2 kDa polyacrylic acid as additive for transfection enhancement, all in a single complex. We demonstrate an optimized formulation for stable GFP expression in two model cell lines, MDA‐MB‐231 and SUM149 recorded till day 108 (3.5 months) and day 43 (1.4 months), respectively, following a single treatment with very low cell number as starting material. Moreover, the stability of the transgene (GFP) expression mediated by piggyBac/PEI‐L transposition was retained following three consecutive cryopreservation cycles. The success of this study highlights the feasibility and potential of employing a polymeric delivery system to obtain piggyBac‐based stable expression of therapeutic genes.
Supervised and unsupervised machine learning approaches for monitoring subvisible particles within an aluminum‐salt adjuvanted vaccine formulation
Authors: Greenblott David N. , Wood Caitlin V. , Zhang Jingtao , Viza Nelia , Chintala Ramesh , Calderon Christopher P. , Randolph Theodore W.
Published: February 2024

Suspensions of protein antigens adsorbed to aluminum‐salt adjuvants are used in many vaccines and require mixing during vial filling operations to prevent sedimentation. However, the mixing of vaccine formulations may generate undesirable particles that are difficult to detect against the background of suspended adjuvant particles. We simulated the mixing of a suspension containing a protein antigen adsorbed to an aluminum‐salt adjuvant using a recirculating peristaltic pump and used flow imaging microscopy to record images of particles within the pumped suspensions. Supervised convolutional neural networks (CNNs) were used to analyze the images and create “fingerprints” of particle morphology distributions, allowing detection of new particles generated during pumping. These results were compared to those obtained from an unsupervised machine learning algorithm relying on variational autoencoders (VAEs) that were also used to detect new particles generated during pumping. Analyses of images conducted by applying both supervised CNNs and VAEs found that rates of generation of new particles were higher in aluminum‐salt adjuvant suspensions containing protein antigen than placebo suspensions containing only adjuvant. Finally, front‐face fluorescence measurements of the vaccine suspensions indicated changes in solvent exposure of tryptophan residues in the protein that occurred concomitantly with new particle generation during pumping.
Contributions of Chinese hamster ovary cell derived extracellular vesicles and other cellular materials to hollow fiber filter fouling during perfusion manufacturing of monoclonal antibodies
Authors: Zhang Yixiao , Madabhushi Sri , Tang Tiffany , Raza Hassan , Busch David J. , Zhao Xi , Ormes James , Xu Sen , Moroney Joseph , Jiang Rubin , Lin Henry , Liu Ren
Published: February 2024

Hollow fiber filter fouling is a common issue plaguing perfusion production process for biologics therapeutics, but the nature of filter foulant has been elusive. Here we studied cell culture materials especially Chinese hamster ovary (CHO) cell‐derived extracellular vesicles in perfusion process to determine their role in filter fouling. We found that the decrease of CHO‐derived small extracellular vesicles (sEVs) with 50–200 nm in diameter in perfusion permeates always preceded the increase in transmembrane pressure (TMP) and subsequent decrease in product sieving, suggesting that sEVs might have been retained inside filters and contributed to filter fouling. Using scanning electron microscopy and helium ion microscopy, we found sEV‐like structures in pores and on foulant patches of hollow fiber tangential flow filtration filter (HF‐TFF) membranes. We also observed that the Day 28 TMP of perfusion culture correlated positively with the percentage of foulant patch areas. In addition, energy dispersive X‐ray spectroscopy‐based elemental mapping microscopy and spectroscopy analysis suggests that foulant patches had enriched cellular materials but not antifoam. Fluorescent staining results further indicate that these cellular materials could be DNA, proteins, and even adherent CHO cells. Lastly, in a small‐scale HF‐TFF model, addition of CHO‐specific sEVs in CHO culture simulated filter fouling behaviors in a concentration‐dependent manner. Based on these results, we proposed a mechanism of HF‐TFF fouling, in which filter pore constriction by CHO sEVs is followed by cake formation of cellular materials on filter membrane.
Gender diversity, foreign direct investment spillovers, and productivity: Unraveling the role of female workers in Indonesia
Authors: Yasin Mohammad Zeqi , Harianto Samuel Kharis , Teguh Sambodo Leonardo A. A. , Yustiningsih Firdaussy , Esquivias Miguel Angel
Published: February 2024

This study investigates the impact of gender diversity on firm productivity following foreign direct investment (FDI) spillover. Using Indonesian firm‐level datasets from 2011 to 2015, we employ gender spillovers to assess women's distinct contributions to labor spillovers, often manifested through their impacts on productivity, knowledge sharing, and innovation. A fixed‐effects estimator using Driscoll and Kraay's standard errors was employed to deal with cross‐sectional dependence. We first examined the intra‐industry spillover effects of FDI, followed by spatial spillovers, to evaluate the influence of one province's productivity changes on neighboring provinces. Our findings reveal significant gender‐driven FDI spillovers in the spatial dimension but not within the sector. The consistent results across subsamples (impacts on domestic firms, Java‐non‐Java Island, feminization degree, and industrial technology intensity) align with theoretical studies that emphasize the influence of geographical proximity on FDI spillovers. No significant intra‐industry spillover effects were observed. Further exploration of informal channels, possibly mediating spillover effectiveness, is recommended to provide insights into the observed sectoral dynamics.
The spectrum of concern for medical child abuse among adolescents with chronic pain due to central sensitisation
Authors: Johnson Katie L. , Tham See Wan , Brown Emily C. B. , Walco Gary A. , Feldman Kenneth W. , Wiester Rebecca T. , Wilkins Stephanie N. , Campbell Kristine A.
Published: February 2024

Adolescents with chronic pain can at times present with disability out of proportion to diagnostic workup. This is also a defining feature of medical child abuse (MCA). The aim of this study was to identify themes from the clinical narratives of adolescents with chronic pain that may indicate concern for MCA. This qualitative, retrospective study at an academic children's hospital between 2011 and 2019 identified 37 adolescents aged 13–18 years old with chronic pain and varying levels of concern for MCA. Conventional, inductive content analysis was used to identify themes from the medical records of all patients, which were reviewed by an interdisciplinary panel of experts. Themes were organised into three tiers related to the level of concern for MCA: ‘Green zone’ themes including fatigue or sleep problems, psychosocial distress, and social withdrawal were common among all patients. ‘Yellow zone’ themes including fragmented care, caregiver catastrophising, caregiver misrepresentation, medical provider exasperation, and sick identity were more common among patients in whom medical providers raised concern for MCA. A single ‘red zone’ theme, reportable harm to the child, was only present in patients diagnosed by a child abuse paediatrician as having MCA. A visual display of the results is provided for further research and clinical application.
Synthesis and Evaluation of New Phytotoxic Fluorinated Chalcones as Photosystem II and Seedling Growth Inhibitors
Authors: de Pádua Geilly Mara Silva , Pitteri Taciane Santos , Ferreira Basso Marcelo Augusto , de Vasconcelos Leonardo Gomes , Ali Akbar , Dall'Oglio Evandro Luiz , Sampaio Olívia Moreira , Curcino Vieira Lucas Campos
Published: February 2024

The development of novel phytotoxic compounds has been an important aim of weed control research. In this study, we synthesized fluorinated chalcone derivatives featuring both electron‐donating and electron‐withdrawing groups. These compounds were evaluated both as inhibitors of the photosystem II (PSII) electron chain as well as inhibitors of the germination and seedling growth of Amaranthus plants. Chlorophyll a (Chl a) fluorescence assay was employed to evaluate their effects on PSII, while germination experiments were conducted to assess their impact on germination and seedling development. The results revealed promising herbicidal activity for (E)‐3‐(4‐bromophenyl)‐1‐(4‐fluorophenyl)prop‐2‐en‐1‐one (7 a) and (E)‐1‐(4‐fluorophenyl)‐3‐phenylprop‐2‐en‐1‐one (7 e). Compounds 7 a and 7 e exhibited a reduction in Chl a parameters associated with performance indexes and electron transport per reaction center. This reduction suggests a decrease in PSII activity, attributed to the blockage of electron flow at the quinone pool. Molecular docking analyses of chalcone derivatives with the D1 protein of PSII revealed a stable binding conformation, wherein the carbonyl and fluorine groups interacted with Phe265 and His215 residues, respectively. Additionally, at a concentration of 100 μM, compound 7 e demonstrated pre‐ and post‐emergent herbicidal activity, resulting in a reduction of the seed germination index, radicle and hypocotyl lengths of Amaranthus weeds.
Exploring the Therapeutic Potential of Lawsone and Nanoparticles in Cancer and Infectious Disease Management
Authors: Kamil Zaidan Haider , Jasim Al‐Khafaji Hanadi Had , Al‐dolaimy F. , Abed Hussein Shaymaa , Otbah Farqad Rand , Thabit Daha , Talib Kareem Ashwaq , Ramadan Montather F. , Hamood Sarah A. , Alawadi Ahmed Hussien , Alsaalamy Ali
Published: February 2024

Lawsone, a naturally occurring compound found in henna, has been used in traditional medicine for centuries due to its diverse biological activities. In recent years, its nanoparticle‐based structure has gained attention in cancer and infectious disease research. This review explores the therapeutic potential of lawsone and its nanoparticles in the context of cancer and infectious diseases. Lawsone exhibits promising anticancer properties by inducing apoptosis and inhibiting cell proliferation, while its nanoparticle formulations enhance targeted delivery and efficacy. Moreover, lawsone demonstrates significant antimicrobial effects against various pathogens. The unique physicochemical properties of lawsone nanoparticles enable efficient cellular uptake and targeted delivery. Potential applications in combination therapy and personalized medicine open new avenues for cancer and infectious disease treatment. While clinical trials are needed to validate their safety and efficacy, lawsone‐based nanoparticles offer hope in addressing unmet medical needs and revolutionizing therapeutic approaches.
Tris‐Functionalized Polyoxotungstovanadate‐Mediated Antitumor Efficacy Involves Multiple Cell Death Pathways
Authors: Chen Lihong , Zhao Zijia , Diarimalala Rominah Onintsoa , Chen Zhongwei , Wang Yu , Zhan Taozhu , Zhao Yanchao , Ma Chunhui , Wang Xingyue , Zhao Chenqi , Xiao Zicheng , Hu Kanghong , Wu Pingfan
Published: February 2024

Polyoxometalates (POMs) are promising inorganic drug candidates for cancer chemotherapy. They are becoming attractive because of their easy accessibility and low cost. Herein, we report the synthesis and antitumor activity studies of four Lindqvist‐type POMs with mixed‐addenda atoms Na2[V4W2O16{(OCH2)3CR}] (R=−CH2OH, −CH3, −CH2CH3) and (Bu4N)2[V3W3{(OCH2)3CH2OOCCH2CH3}]. Compared with the current clinical applied antitumor drug 5‐fluorouracil (5‐FU) or Gemcitabine, analysis of MTT/CCK‐8 assay, colony formation and wound healing assay revealed that the {V4W2} POMs had acceptable cytotoxicity in normal cells (293T) and significant inhibitory effects on cell proliferation and migration in three human tumor cell lines: human lung carcinoma cells (A549), human cervical carcinoma cells (HeLa), and human breast cancer cells (MCF‐7). Interestingly, among the POMs analyzed, the therapeutic index (TI) of the {V4W2} POM with R= ‐CH2OH was relatively the most satisfactory. Thus, it was subsequently used for further studies. Flow cytometry analysis showed it prompted cellular apoptosis rate. qRT‐PCR and Western blotting analysis indicated that multiple cell death pathways were activated including apoptosis, autophagy, necroptosis and pyroptosis during the POM‐mediated antitumor process. In conclusion, our study shows that the polyoxotungstovanadate has great potential to be developed into a broad‐spectrum antitumor chemotherapeutic drug.
Discovery of a Photoaffinity Probe that Captures the Active Conformation of the Cannabinoid CB2 Receptor
Authors: De Paus Laura V. , An Yu , Janssen Antonius P. A. , van den Berg Richard J. B. H. N. , Heitman Laura H. , van der Stelt Mario
Published: February 2024

The cannabinoid receptor type 2 (CB2R) is a G protein‐coupled receptor with therapeutic potential for the treatment of inflammatory disorders. Fluorescent probes are desirable to study its receptor localization, expression and occupancy. Previously, we have reported a photoaffinity probe LEI‐121 that stabilized the inactive conformation of the CB2R. Here, we report the structure‐based design of a novel bifunctional probe that captures the active conformation of the CB2R upon irradiation with light. An alkyne handle was incorporated to visualize the receptor using click‐chemistry with fluorophore‐azides. These probes may hold promise to study different receptor conformations in relation to their cellular localization and function.
Chemodivergent Dehydrogenative Coupling of Alcohols by 3d Metal Catalysts
Authors: Bansal Sadhna , Punji Benudhar
Published: February 2024

Chemodivergent synthesis by transition metal catalysts is a straightforward and sustainable approach to achieving valuable organic compounds. Especially, the chemodivergent dehydrogenative couplings of alcohols with organic motifs to develop various saturated and unsaturated compounds are highly environmentally benign due to the reduced waste generation. In this concept review, we presented the 3d transition metal (Mn, Fe, Co, and Ni)‐catalyzed chemodivergent synthesis of imines and amines, saturated and unsaturated carbonyl/alcohol compounds, saturated and unsaturated nitriles, N‐heterocycles, and N‐/C‐alkylated indoles. The discussed reaction commanded two or three different products with high chemoselectivity by changing specific reaction parameters, but keeping the catalyst unchanged. Generally, the acceptorless dehydrogenative coupling (ADC) provides unsaturated moieties, whereas the borrowing‐hydrogen (BH) process results in saturated compounds.
Acrylate‐derived RAFT Polymers for Enzyme Hyperactivation – Boosting the α‐Chymotrypsin Enzyme Activity Using Tailor‐Made Poly(2‐Carboxyethyl)acrylate (PCEA)
Authors: Müllers Yannic , Sadr Ahmad Shahir , Schenderlein Matthias , Pallab Nazim , Davari Mehdi D. , Glebe Ulrich , Reifarth Martin
Published: February 2024

We study the hyperactivation of α‐chymotrypsin (α‐ChT) using the acrylate polymer poly(2‐carboxyethyl) acrylate (PCEA) in comparison to the commonly used poly(acrylic acid) (PAA). The polymers are added during the enzymatic cleavage reaction of the substrate N‐glycyl‐L‐phenylalanine p‐nitroanilide (GPNA). Enzyme activity assays reveal a pronounced enzyme hyperactivation capacity of PCEA, which reaches up to 950 % activity enhancement, and is significantly enhanced to PAA (revealing an activity enhancement of approx. 450 %). In a combined experimental and computational study, we investigate α‐ChT/polymer interactions to elucidate the hyperactivation mechanism of the enzyme. Isothermal titration calorimetry reveals a pronounced complexation between the polymer and the enzyme. Docking simulations reveal that binding of polymers significantly improves the binding affinity of GPNA to α‐ChT. Notably, a higher binding affinity is found for the α‐ChT/PCEA compared to the α‐ChT/PAA complex. Further molecular dynamics (MD) simulations reveal changes in the size of the active site in the enzyme/polymer complexes, with PCEA inducing a more pronounced alteration compared to PAA, facilitating an easier access for the substrate to the active site of α‐ChT.
QM/MM Study Into the Mechanism of Oxidative C=C Double Bond Cleavage by Lignostilbene‐α,β‐Dioxygenase
Authors: Ali Hafiz Saqib , de Visser Sam P.
Published: February 2024

The enzymatic biosynthesis of fragrance molecules from lignin fragments is an important reaction in biotechnology for the sustainable production of fine chemicals. In this work we investigated the biosynthesis of vanillin from lignostilbene by a nonheme iron dioxygenase using QM/MM and tested several suggested proposals via either an epoxide or dioxetane intermediate. Binding of dioxygen to the active site of the protein results in the formation of an iron(II)−superoxo species with lignostilbene cation radical. The dioxygenase mechanism starts with electrophilic attack of the terminal oxygen atom of the superoxo group on the central C=C bond of lignostilbene, and the second‐coordination sphere effects in the substrate binding pocket guide the reaction towards dioxetane formation. The computed mechanism is rationalized with thermochemical cycles and valence bond schemes that explain the electron transfer processes during the reaction mechanism. Particularly, the polarity of the protein and the local electric field and dipole moments enable a facile electron transfer and an exergonic dioxetane formation pathway.
Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator
Authors: Kosse Pascal , Hernández Rodríguez Tanja , Frahm Björn , Lübken Manfred , Wichern Marc
Published: February 2024

In anaerobic technology, pH values are crucial for targeted volatile fatty acid production. While pH dynamics can be modeled using the Anaerobic Digestion Model No. 1 (ADM1), simulation results may be biased. To address this issue, the pH prediction routine of Visual Water, a specialized water chemistry simulator, was validated. Unlike ADM1, it accounts for ionic strength and activities while also providing an automated uncertainty analysis. The analysis revealed Visual Water simulations to better fit measured pH data from acidic solutions in a miniaturized stirred‐tank reactor.
Process monitoring and fault diagnosis method combining bagging DPCA‐ICA with moving window Kolmogorov–Smirnov test
Authors: Zhou Siyuan , Zhou Xiaomin , Liu Hongfei
Published: February 2024

Process monitoring and fault diagnosis systems are essential for ensuring the quality and safety of industrial processes. Real industrial process data always has dynamic features, autocorrelation features, and non‐Gaussian distributions, making many multivariate statistical process monitoring (MSPM) methods, such as principal component analysis (PCA), not work well. To solve the problem, a new process monitoring method (named DPCA‐ICA‐moving window Kolmogorov–Smirnov test [MWKS]) is proposed in the paper, which is a combination of DPCA and independent component analysis (ICA) with adaptive weight parameters and introduces a moving window technique and two‐sample K‐S test to obtain the K‐S distance of the commonly used Hotelling's and square predictive error as new monitoring parameters. Experimental results on the Tennessee Eastman chemical process demonstrate the effectiveness and accuracy of the proposed method, which shows it has better performance than existing commonly used methods. The average fault detection rate (FDR) is 93.131%, while the average false alarm rate (FAR) of the proposed method is only 0.1%.
Artificial Water Channel Promoting Depolymerization of Actin Filaments to Trigger Cancer Cell Apoptosis
Authors: Zhang Lei , Cao Yin‐Gui , Fan Ting , Zhao Jiatong , Fu Yong‐Hong , Xiao Qi , Li Zhan‐Ting , Wang Yunfeng , Xiao Bo , Hou Jun‐Li
Published: February 2024

Comprehensive Summary

Actin filaments play important physiological functions, which have become potential targets of antitumor drugs. Using chemicals to intervene their polymerization‐depolymerization dynamics would generate new strategies for designing antitumor drugs. In this report, an artificial water channel appending acetazolamide moiety, a ligand that can selectively bind to carbonic anhydrase IX, has been prepared. We demonstrated that this conjugate can target colorectal cancer cells overexpressing carbonic anhydrase IX and trigger the depolymerization of actin filaments of the cancer cells by selectively mediating water transmembrane transport. Moreover, the conjugate‐promoted actin depolymerization led to tumor cell apoptosis and its high antitumor activity in vitro and in vivo against colorectal cancer. The method described herein represents a new and general strategy for designing antitumor drugs by using artificial channel‐mediated selective water transport to promote actin depolymerization.
Colloidal Plasmonic Metasurfaces for the Enhancement of Non‐Linear Optical Processes and Molecular Spectroscopies
Authors: Conti Ylli , Chiang Naihao , Scarabelli Leonardo
Published: February 2024

Colloidal metasurfaces are emerging as promising candidates for the development of functional chemical metamaterials, combining the undisputed control over crystallography and surface chemistry achieved by synthetic nanochemistry with the scalability and versatility of colloidal self‐assembly strategies. In light of recent reports of colloidal plasmonic materials displaying high‐performing optical cavities, this Minireview discusses the use of this type of metamaterials in the specific context of non‐linear optical phenomena and non‐linear molecular spectroscopies. Our attention is focused on the opportunities and advantages that colloidal nanoparticles and self‐assembled plasmonic metasurfaces can bring to the table compared to more traditional nanofabrication strategies. Specifically, we believe that future work in this direction will express the full potential of non‐linear molecular spectroscopies to explore the chemical space, with a deeper understanding of plasmon‐molecule dynamics, plasmon‐mediated processes, and surface‐enhanced chemistry.
In situ Gel Electrolytes for the Interfacial Regulation of Lithium Metal Batteries
Authors: Chen Zhihua , Hu Jingwei , Ji Shuaijing , Zhang Weixin , Han Qigao , Tang Shun , Cao Yuancheng
Published: February 2024

With the popularity and development of electronic devices, the demand for lithium batteries is increasing, which also puts high demands on the energy density, cycle life and safety of lithium batteries. Gel electrolytes achieve both of these requirements by curing the electrolytes to reduce the interfacial side reactions of lithium metal batteries. The ionic conductivity of the gel electrolytes prepared by in situ curing reach 8.0×10−4 S cm−1, and the ionic mobility number is 0.53. Meanwhile, the gel electrolytes maintain a stable electrochemical window of 1.0–5.0 V. Benefited with the interfacial regulation of PEGDA gel electrolytes, the gel lithium metal batteries show better cycling stability, and achieved 97 % capacity retention after 200 cycles (0.2 C) with a lower increasing rate of impedance.
Uncovering Energetic Positions of Surface Trap States in α‐Fe2O3 Treated with Cobalt Phosphate (Co−Pi) Using Charge Carrier‐Selective Heterodyne Transient Grating Technique
Authors: Hyun Kim Young , Gyeong Bae Yu , Yong Sohn Woon
Published: February 2024

Near‐field heterodyne transient grating (NF‐HD‐TG) responses of hematite (α‐Fe2O3) treated with cobalt phosphate (Co−Pi) were measured with the burn lasers inducing the depletion of the response by the removal of the trapped charge carriers in the target state, which is called charge carrier‐selective heterodyne transient grating (CS‐HD‐TG) spectroscopic technique. We found that two distinct trap states co‐existed in Co−Pi loaded on the surface of α‐Fe2O3. One of them named r‐SS2, of which potential was similar to that of r‐SS1 in the surface of α‐Fe2O3, acted as a recombination centre but could increase the lifetime of the trapped holes by the charge separation. We also revealed that the energetic position of the other (i‐SS2), which has been regarded as the intermediate state for oxygen evolution reaction with low overpotential, was higher than that of i‐SS1 in α‐Fe2O3 but lower than those of r‐SS1 and r‐SS2.
The Evolution of Sonochemistry: From the Beginnings to Novel Applications
Authors: Rosales Pérez Alicia , Esquivel Escalante Karen
Published: February 2024

Sonochemistry is the use of ultrasonic waves in an aqueous medium, to generate acoustic cavitation. In this context, sonochemistry emerged as a focal point over the past few decades, starting as a manageable process such as a cleaning technique. Now, it is found in a wide range of applications across various chemical, physical, and biological processes, creating opportunities for analysis between these processes. Sonochemistry is a powerful and eco‐friendly technique often called “green chemistry” for less energy use, toxic reagents, and residues generation. It is increasing the number of applications achieved through the ultrasonic irradiation (USI) method. Sonochemistry has been established as a sustainable and cost‐effective alternative compared to traditional industrial methods. It promotes scientific and social well‐being, offering non‐destructive advantages, including rapid processes, improved process efficiency, enhanced product quality, and, in some cases, the retention of key product characteristics. This versatile technology has significantly contributed to the food industry, materials technology, environmental remediation, and biological research. This review is created with enthusiasm and focus on shedding light on the manifold applications of sonochemistry. It delves into this technique‘s evolution and current applications in cleaning, environmental remediation, microfluidic, biological, and medical fields. The purpose is to show the physicochemical effects and characteristics of acoustic cavitation in different processes across various fields and to demonstrate the extending application reach of sonochemistry. Also to provide insights into the prospects of this versatile technique and demonstrating that sonochemistry is an adapting system able to generate more efficient products or processes.