bluuebunny/crossref_metadata_2025 huggingface dataset:
The requirement of the mitochondrial protein NDUFS8 for angiogenesis
Authors: Xiong Qian-wei , Jiang Kun , Shen Xiao-wei , Ma Zhou-rui , Yan Xiang-ming , Xia Hao , Cao Xu
Published: April 2024

Mitochondria are important for the activation of endothelial cells and the process of angiogenesis. NDUFS8 (NADH:ubiquinone oxidoreductase core subunit S8) is a protein that plays a critical role in the function of mitochondrial Complex I. We aimed to investigate the potential involvement of NDUFS8 in angiogenesis. In human umbilical vein endothelial cells (HUVECs) and other endothelial cell types, we employed viral shRNA to silence NDUFS8 or employed the CRISPR/Cas9 method to knockout (KO) it, resulting in impaired mitochondrial functions in the endothelial cells, causing reduction in mitochondrial oxygen consumption and Complex I activity, decreased ATP production, mitochondrial depolarization, increased oxidative stress and reactive oxygen species (ROS) production, and enhanced lipid oxidation. Significantly, NDUFS8 silencing or KO hindered cell proliferation, migration, and capillary tube formation in cultured endothelial cells. In addition, there was a moderate increase in apoptosis within NDUFS8-depleted endothelial cells. Conversely, ectopic overexpression of NDUFS8 demonstrated a pro-angiogenic impact, enhancing cell proliferation, migration, and capillary tube formation in HUVECs and other endothelial cells. NDUFS8 is pivotal for Akt-mTOR cascade activation in endothelial cells. Depleting NDUFS8 inhibited Akt-mTOR activation, reversible with exogenous ATP in HUVECs. Conversely, NDUFS8 overexpression boosted Akt-mTOR activation. Furthermore, the inhibitory effects of NDUFS8 knockdown on cell proliferation, migration, and capillary tube formation were rescued by Akt re-activation via a constitutively-active Akt1. In vivo experiments using an endothelial-specific NDUFS8 shRNA adeno-associated virus (AAV), administered via intravitreous injection, revealed that endothelial knockdown of NDUFS8 inhibited retinal angiogenesis. ATP reduction, oxidative stress, and enhanced lipid oxidation were detected in mouse retinal tissues with endothelial knockdown of NDUFS8. Lastly, we observed an increase in NDUFS8 expression in retinal proliferative membrane tissues obtained from human patients with proliferative diabetic retinopathy. Our findings underscore the essential role of the mitochondrial protein NDUFS8 in regulating endothelial cell activation and angiogenesis.
The crosstalk between exosomes and ferroptosis: a review
Authors: Wu Jiao , Li Zhongyu , Wu Yu , Cui Ning
Published: April 2024

Exosomes are a subtype of extracellular vesicles composed of bioactive molecules, including nucleic acids, proteins, and lipids. Exosomes are generated by the fusion of intracellular multivesicular bodies (MVBs) with the cell membrane and subsequently released into the extracellular space to participate in intercellular communication and diverse biological processes within target cells. As a crucial mediator, exosomes have been implicated in regulating ferroptosis—an iron-dependent programmed cell death characterized by lipid peroxide accumulation induced by reactive oxygen species. The involvement of exosomes in iron, lipid, and amino acid metabolism contributes to their regulatory role in specific mechanisms underlying how exosomes modulate ferroptosis, which remains incompletely understood, and some related studies are still preliminary. Therefore, targeting the regulation of ferroptosis by exosomes holds promise for future clinical treatment strategies across various diseases. This review aims to provide insights into the pathophysiology and mechanisms governing the interaction between exosomes and ferroptosis and their implications in disease development and treatment to serve as a reference for further research.
Integration of 3D bioprinting and multi-algorithm machine learning identified glioma susceptibilities and microenvironment characteristics
Authors: Tang Min , Jiang Shan , Huang Xiaoming , Ji Chunxia , Gu Yexin , Qi Ying , Xiang Yi , Yao Emmie , Zhang Nancy , Berman Emma , Yu Di , Qu Yunjia , Liu Longwei , Berry David , Yao Yu
Published: April 2024

Glioma, with its heterogeneous microenvironments and genetic subtypes, presents substantial challenges for treatment prediction and development. We integrated 3D bioprinting and multi-algorithm machine learning as a novel approach to enhance the assessment and understanding of glioma treatment responses and microenvironment characteristics. The bioprinted patient-derived glioma tissues successfully recapitulated molecular properties and drug responses of native tumors. We then developed GlioML, a machine learning workflow incorporating nine distinct algorithms and a weighted ensemble model that generated robust gene expression-based predictors, each reflecting the diverse action mechanisms of various compounds and drugs. The ensemble model superseded the performance of all individual algorithms across diverse in vitro systems, including sphere cultures, complex 3D bioprinted multicellular models, and 3D patient-derived tissues. By integrating bioprinting, the evaluative scope of the treatment expanded to T cell-related therapy and anti-angiogenesis targeted therapy. We identified promising compounds and drugs for glioma treatment and revealed distinct immunosuppressive or angiogenic myeloid-infiltrated tumor microenvironments. These insights pave the way for enhanced therapeutic development for glioma and potentially for other cancers, highlighting the broad application potential of this integrative and translational approach.
Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04
Authors: Zhang Lijing , Xie Xuping , Luo Hannan , Qian Runtong , Yang Yang , Yu Hongtao , Huang Jing , Shi Pei-Yong , Hu Qi
Published: April 2024

Drug resistance poses a significant challenge in the development of effective therapies against SARS-CoV-2. Here, we identified two double mutations, M49K/M165V and M49K/S301P, in the 3C-like protease (3CLpro) that confer resistance to a novel non-covalent inhibitor, WU-04, which is currently in phase III clinical trials (NCT06197217). Crystallographic analysis indicates that the M49K mutation destabilizes the WU-04-binding pocket, impacting the binding of WU-04 more significantly than the binding of 3CLpro substrates. The M165V mutation directly interferes with WU-04 binding. The S301P mutation, which is far from the WU-04-binding pocket, indirectly affects WU-04 binding by restricting the rotation of 3CLpro’s C-terminal tail and impeding 3CLpro dimerization. We further explored 3CLpro mutations that confer resistance to two clinically used inhibitors: ensitrelvir and nirmatrelvir, and revealed a trade-off between the catalytic activity, thermostability, and drug resistance of 3CLpro. We found that mutations at the same residue (M49) can have distinct effects on the 3CLpro inhibitors, highlighting the importance of developing multiple antiviral agents with different skeletons for fighting SARS-CoV-2. These findings enhance our understanding of SARS-CoV-2 resistance mechanisms and inform the development of effective therapeutics.
Enabling robust blue circularly polarized organic afterglow through self-confining isolated chiral chromophore
Authors: Zeng Mingjian , Wang Weiguang , Zhang Shuman , Gao Zhisheng , Yan Yingmeng , Liu Yitong , Qi Yulong , Yan Xin , Zhao Wei , Zhang Xin , Guo Ningning , Li Huanhuan , Li Hui , Xie Gaozhan , Tao Ye , Chen Runfeng , Huang Wei
Published: April 2024

Creating circularly polarized organic afterglow system with elevated triplet energy levels, suppressed non-radiative transitions, and effective chirality, which are three critical prerequisites for achieving blue circularly polarized afterglow, has posed a formidable challenge. Herein, a straightforward approach is unveiled to attain blue circularly polarized afterglow materials by covalently self-confining isolated chiral chromophore within polymer matrix. The formation of robust hydrogen bonds within the polymer matrix confers a distinctly isolated and stabilized molecular state of chiral chromophores, endowing a blue emission band at 414 nm, lifetime of 3.0 s, and luminescent dissymmetry factor of ~ 10−2. Utilizing the synergistic afterglow and chirality energy transfer, full-color circularly polarized afterglow systems are endowed by doping colorful fluorescent molecules into designed blue polymers, empowering versatile applications. This work paves the way for the streamlined design of blue circularly polarized afterglow materials, expanding the horizons of circularly polarized afterglow materials into various domains.
An Intricate Network Involving the Argonaute ALG-1 Modulates Organismal Resistance to Oxidative Stress
Authors: Vergani-Junior Carlos A. , Moro Raíssa De P. , Pinto Silas , De-Souza Evandro A. , Camara Henrique , Braga Deisi L. , Tonon-da-Silva Guilherme , Knittel Thiago L. , Ruiz Gabriel P. , Ludwig Raissa G. , Massirer Katlin B. , Mair William B. , Mori Marcelo A.
Published: April 2024

Cellular response to redox imbalance is crucial for organismal health. microRNAs are implicated in stress responses. ALG-1, the C. elegans ortholog of human AGO2, plays an essential role in microRNA processing and function. Here we investigated the mechanisms governing ALG-1 expression in C. elegans and the players controlling lifespan and stress resistance downstream of ALG-1. We show that upregulation of ALG-1 is a shared feature in conditions linked to increased longevity (e.g., germline-deficient glp-1 mutants). ALG-1 knockdown reduces lifespan and oxidative stress resistance, while overexpression enhances survival against pro-oxidant agents but not heat or reductive stress. R02D3.7 represses alg-1 expression, impacting oxidative stress resistance at least in part via ALG-1. microRNAs upregulated in glp-1 mutants (miR-87-3p, miR-230-3p, and miR-235-3p) can target genes in the protein disulfide isomerase pathway and protect against oxidative stress. This study unveils a tightly regulated network involving transcription factors and microRNAs which controls organisms’ ability to withstand oxidative stress.
A 2D chiral microcavity based on apparent circular dichroism
Authors: Chen Tzu-Ling , Salij Andrew , Parrish Katherine A. , Rasch Julia K. , Zinna Francesco , Brown Paige J. , Pescitelli Gennaro , Urraci Francesco , Aronica Laura A. , Dhavamani Abitha , Arnold Michael S. , Wasielewski Michael R. , di Bari Lorenzo , Tempelaar Roel , Goldsmith Randall H.
Published: April 2024

Engineering asymmetric transmission between left-handed and right-handed circularly polarized light in planar Fabry–Pérot (FP) microcavities would enable a variety of chiral light-matter phenomena, with applications in spintronics, polaritonics, and chiral lasing. Such symmetry breaking, however, generally requires Faraday rotators or nanofabricated polarization-preserving mirrors. We present a simple solution requiring no nanofabrication to induce asymmetric transmission in FP microcavities, preserving low mode volumes by embedding organic thin films exhibiting apparent circular dichroism (ACD); an optical phenomenon based on 2D chirality. Importantly, ACD interactions are opposite for counter-propagating light. Consequently, we demonstrated asymmetric transmission of cavity modes over an order of magnitude larger than that of the isolated thin film. Through circular dichroism spectroscopy, Mueller matrix ellipsometry, and simulation using theoretical scattering matrix methods, we characterize the spatial, spectral, and angular chiroptical responses of this 2D chiral microcavity.
Rotational magnetoelectric switching in orthorhombic multiferroics
Authors: Li Xu , Tian Hao , Chen Lan , Xiang Hongjun , Liu Jun-Ming , Bellaiche L. , Wu Di , Yang Yurong
Published: April 2024

Controlling the direction of ferromagnetism and antiferromagnetism by an electric field in single-phase multiferroics will open the door to the next generation of devices for spintronics and electronics. The typical magnetoelectric coupling such as the linear magnetoelectric effect is very weak in type-I multiferroics and therefore the magnetoelectric switching is rarely achieved. Here, using first-principles simulations, we propose a magnetoelectric switching mechanism to achieve such highly desired control in orthorhombic multiferroics. One class of two-dimensional proper multiferroics (CrX2Se3 and MnX2Te3, X = Sn, Ge) and perovskite multiferroics (EuTiO3 and BiFeO3/LaFeO3 superlattice) are taken as examples to show the mechanism. In the ferroelectric switching process, the proper polarization rotates its direction by 180° and keeps its magnitude almost unchanged, the ferromagnetic or antiferromagnetic vector is rotationally switched by 180° following the rotation of ferroelectric polarization. This rotational magnetoelectric switching results from in-plane structural anisotropy and magnetic anisotropy, and the process of switching is governed by cosine functions from the phenomenological Landau-type models. This study addresses the challenge of magnetoelectric switching in type-I multiferroics by proposing a general magnetoelectric switching mechanism.
Traumatic spinal cord injury in South Korea for 13 years (2008–2020)
Authors: Noh Sung Hyun , Lee Eunyoung , Kim Kyoung-Tae , Kim Sang Hyun , Cho Pyung Goo
Published: April 2024

Traumatic spinal cord injury (TSCI) has significant physical, psychological, and socioeconomic impacts. However, the epidemiological characteristics and treatment patterns of TSCI in South Korea remain unclear. This study aimed to investigate TSCI incidence and treatment behaviors in South Korea from 2008 to 2020. We included data from 30,979 newly diagnosed TSCI patients obtained from the Health Insurance Review and Assessment Service (HIRA). Treatment trends, location of surgery, surgical method, comorbidities, factors affecting hospital stay, and risk factors affecting readmission were analyzed. Patients were divided into the surgery group [n = 7719; (25%)] and the non-surgery group [n = 23,260; (75%)]. Surgical cases involved cervical (64%), thoracic (17%), and lumbar/sacral (19%) lesions. Anterior fusion (38%), posterior fusion (54%), and corpectomy (8%) were the surgical methods. Surgical treatments increased annually. Factors influencing hospital stay included male sex, older age, and higher Charlson comorbidity index (CCI). Female sex and higher CCI scores were associated with readmission. In conclusion, a quarter of all TSCI patients underwent surgery, with an upward trend. Risk factors for longer hospital stays were thoracic spine injury, older age, higher CCI, and male sex. Risk factors for readmission included age range of 40–59 years, lumbar/sacral spine injuries, CCI score of 2, and female sex.
Designing the structure of cationic star-shaped trimeric surfactants most active in micelle formation using molecular connectivity indices
Authors: Mozrzymas Anna
Published: April 2024

A model expressing the relationship between the logarithm of critical micelle concentration of cationic star-shaped trimeric surfactants and topological indices was obtained using only molecular connectivity indices. Based on the obtained model, the exemplary compound most active in micelle formation was designed. The analysis of the influence of various structural factors on the value of the critical micelle concentration was supported by atomic charge studies. The obtained model will be used to design new star-shaped trimeric surfactants that are more active in formation of micelle as well as to predict their critical micelle concentration.
Image-based consensus molecular subtyping in rectal cancer biopsies and response to neoadjuvant chemoradiotherapy
Authors: Lafarge Maxime W. , Domingo Enric , Sirinukunwattana Korsuk , Wood Ruby , Samuel Leslie , Murray Graeme , Richman Susan D. , Blake Andrew , Sebag-Montefiore David , Gollins Simon , Klieser Eckhard , Neureiter Daniel , Huemer Florian , Greil Richard , Dunne Philip , Quirke Philip , Weiss Lukas , Rittscher Jens , Maughan Tim , Koelzer Viktor H.
Published: April 2024

The development of deep learning (DL) models to predict the consensus molecular subtypes (CMS) from histopathology images (imCMS) is a promising and cost-effective strategy to support patient stratification. Here, we investigate whether imCMS calls generated from whole slide histopathology images (WSIs) of rectal cancer (RC) pre-treatment biopsies are associated with pathological complete response (pCR) to neoadjuvant long course chemoradiotherapy (LCRT) with single agent fluoropyrimidine. DL models were trained to classify WSIs of colorectal cancers stained with hematoxylin and eosin into one of the four CMS classes using a multi-centric dataset of resection and biopsy specimens (n = 1057 WSIs) with paired transcriptional data. Classifiers were tested on a held out RC biopsy cohort (ARISTOTLE) and correlated with pCR to LCRT in an independent dataset merging two RC cohorts (ARISTOTLE, n = 114 and SALZBURG, n = 55 patients). DL models predicted CMS with high classification performance in multiple comparative analyses. In the independent cohorts (ARISTOTLE, SALZBURG), cases with WSIs classified as imCMS1 had a significantly higher likelihood of achieving pCR (OR = 2.69, 95% CI 1.01–7.17, p = 0.048). Conversely, imCMS4 was associated with lack of pCR (OR = 0.25, 95% CI 0.07–0.88, p = 0.031). Classification maps demonstrated pathologist-interpretable associations with high stromal content in imCMS4 cases, associated with poor outcome. No significant association was found in imCMS2 or imCMS3. imCMS classification of pre-treatment biopsies is a fast and inexpensive solution to identify patient groups that could benefit from neoadjuvant LCRT. The significant associations between imCMS1/imCMS4 with pCR suggest the existence of predictive morphological features that could enhance standard pathological assessment.
Human-AI interaction in skin cancer diagnosis: a systematic review and meta-analysis
Authors: Krakowski Isabelle , Kim Jiyeong , Cai Zhuo Ran , Daneshjou Roxana , Lapins Jan , Eriksson Hanna , Lykou Anastasia , Linos Eleni
Published: April 2024

The development of diagnostic tools for skin cancer based on artificial intelligence (AI) is increasing rapidly and will likely soon be widely implemented in clinical use. Even though the performance of these algorithms is promising in theory, there is limited evidence on the impact of AI assistance on human diagnostic decisions. Therefore, the aim of this systematic review and meta-analysis was to study the effect of AI assistance on the accuracy of skin cancer diagnosis. We searched PubMed, Embase, IEE Xplore, Scopus and conference proceedings for articles from 1/1/2017 to 11/8/2022. We included studies comparing the performance of clinicians diagnosing at least one skin cancer with and without deep learning-based AI assistance. Summary estimates of sensitivity and specificity of diagnostic accuracy with versus without AI assistance were computed using a bivariate random effects model. We identified 2983 studies, of which ten were eligible for meta-analysis. For clinicians without AI assistance, pooled sensitivity was 74.8% (95% CI 68.6–80.1) and specificity was 81.5% (95% CI 73.9–87.3). For AI-assisted clinicians, the overall sensitivity was 81.1% (95% CI 74.4–86.5) and specificity was 86.1% (95% CI 79.2–90.9). AI benefitted medical professionals of all experience levels in subgroup analyses, with the largest improvement among non-dermatologists. No publication bias was detected, and sensitivity analysis revealed that the findings were robust. AI in the hands of clinicians has the potential to improve diagnostic accuracy in skin cancer diagnosis. Given that most studies were conducted in experimental settings, we encourage future studies to further investigate these potential benefits in real-life settings.
The algorithm journey map: a tangible approach to implementing AI solutions in healthcare
Authors: Boag William , Hasan Alifia , Kim Jee Young , Revoir Mike , Nichols Marshall , Ratliff William , Gao Michael , Zilberstein Shira , Samad Zainab , Hoodbhoy Zahra , Ali Mushyada , Khan Nida Saddaf , Patel Manesh , Balu Suresh , Sendak Mark
Published: April 2024

When integrating AI tools in healthcare settings, complex interactions between technologies and primary users are not always fully understood or visible. This deficient and ambiguous understanding hampers attempts by healthcare organizations to adopt AI/ML, and it also creates new challenges for researchers to identify opportunities for simplifying adoption and developing best practices for the use of AI-based solutions. Our study fills this gap by documenting the process of designing, building, and maintaining an AI solution called SepsisWatch at Duke University Health System. We conducted 20 interviews with the team of engineers and scientists that led the multi-year effort to build the tool, integrate it into practice, and maintain the solution. This “Algorithm Journey Map” enumerates all social and technical activities throughout the AI solution’s procurement, development, integration, and full lifecycle management. In addition to mapping the “who?” and “what?” of the adoption of the AI tool, we also show several ‘lessons learned’ throughout the algorithm journey maps including modeling assumptions, stakeholder inclusion, and organizational structure. In doing so, we identify generalizable insights about how to recognize and navigate barriers to AI/ML adoption in healthcare settings. We expect that this effort will further the development of best practices for operationalizing and sustaining ethical principles—in algorithmic systems.
Back-to-back high category atmospheric river landfalls occur more often on the west coast of the United States
Authors: Zhou Yang , Wehner Michael , Collins William
Published: April 2024

The catastrophic December 2022-January 2023 nine atmospheric rivers in California underscore the urgent need to better understand such high-risk weather extremes. Here we applied a machine learning clustering tool to understand the activity of atmospheric river clusters. Reanalysis results show that clusters with high density, that is the time fraction under atmospheric river conditions within a cluster, exhibit more frequent high-category atmospheric rivers, alongside an increased likelihood for extreme precipitation and severe land surface responses. The key circulation patterns of atmospheric river clusters are primarily attributed to subseasonal variability. Furthermore, the occurrence and density of atmospheric river clusters are modulated by the daily variability of the geopotential height field. Climate model projections suggest that atmospheric river clusters with higher density and higher categories will be more frequent as warming level increases. Our findings emphasize the important role of atmospheric river clusters in the development of climate adaptation and resilience strategies.
Navigating phase diagram complexity to guide robotic inorganic materials synthesis
Authors: Chen Jiadong , Cross Samuel R. , Miara Lincoln J. , Cho Jeong-Ju , Wang Yan , Sun Wenhao
Published: April 2024

Efficient synthesis recipes are needed to streamline the manufacturing of complex materials and to accelerate the realization of theoretically predicted materials. Often, the solid-state synthesis of multicomponent oxides is impeded by undesired by-product phases, which can kinetically trap reactions in an incomplete non-equilibrium state. Here we report a thermodynamic strategy to navigate high-dimensional phase diagrams in search of precursors that circumvent low-energy, competing by-products, while maximizing the reaction energy to drive fast phase transformation kinetics. Using a robotic inorganic materials synthesis laboratory, we perform a large-scale experimental validation of our precursor selection principles. For a set of 35 target quaternary oxides, with chemistries representative of intercalation battery cathodes and solid-state electrolytes, our robot performs 224 reactions spanning 27 elements with 28 unique precursors, operated by 1 human experimentalist. Our predicted precursors frequently yield target materials with higher phase purity than traditional precursors. Robotic laboratories offer an exciting platform for data-driven experimental synthesis science, from which we can develop fundamental insights to guide both human and robotic chemists.
NT-3 contributes to chemotherapy-induced neuropathic pain through TrkC-mediated CCL2 elevation in DRG neurons
Authors: Sharma Dilip , Feng Xiaozhou , Wang Bing , Yasin Bushra , Bekker Alex , Hu Huijuan , Tao Yuan-Xiang
Published: April 2024

Cancer patients undergoing treatment with antineoplastic drugs often experience chemotherapy-induced neuropathic pain (CINP), and the therapeutic options for managing CINP are limited. Here, we show that systemic paclitaxel administration upregulates the expression of neurotrophin-3 (Nt3) mRNA and NT3 protein in the neurons of dorsal root ganglia (DRG), but not in the spinal cord. Blocking NT3 upregulation attenuates paclitaxel-induced mechanical, heat, and cold nociceptive hypersensitivities and spontaneous pain without altering acute pain and locomotor activity in male and female mice. Conversely, mimicking this increase produces enhanced responses to mechanical, heat, and cold stimuli and spontaneous pain in naive male and female mice. Mechanistically, NT3 triggers tropomyosin receptor kinase C (TrkC) activation and participates in the paclitaxel-induced increases of C–C chemokine ligand 2 (Ccl2) mRNA and CCL2 protein in the DRG. Given that CCL2 is an endogenous initiator of CINP and that Nt3 mRNA co-expresses with TrkC and Ccl2 mRNAs in DRG neurons, NT3 likely contributes to CINP through TrkC-mediated activation of the Ccl2 gene in DRG neurons. NT3 may be thus a potential target for CINP treatment.
Theoretical study of the nitrogen reduction reaction catalyzed by a B-doped MoO2 six-membered ring
Authors: Chen Shaona , Fang Demiao , Zhou Zhangyu , Dai Zhongxu , Shi Jinjin
Published: April 2024

B2/MoO2 achieves a very low overpotential of −0.18 V and fast NRR kinetics through an enzymatic mechanism by using DFT calculations.
A kinetic model reveals the critical gating motifs for donor-substrate loading into Actinobacillus pleuropneumoniae N-glycosyltransferase
Authors: Hao Zhiqiang , Guo Qiang , Peng Wenjie , Da Lin-Tai
Published: April 2024

Through constructing a kinetic model based on extensive all-atom molecular dynamics simulations, the key structural motifs in ApNGTQ469A responsible for mediating the donor-substrate loading are pinpointed.
Nuclear spin alignment of sodium ions via electric field gradients in phospholipid membranes
Authors: Zheng Yu , Ren Quansheng
Published: April 2024

Molecular dynamics and quantum calculations show that phospholipid motion aligns the electric field gradient at sodium ions perpendicular to the membrane, establishing a uniform quantization axis for sodium nuclear spins.
Collision induced unfolding and molecular dynamics simulations of norovirus capsid dimers reveal strain-specific stability profiles
Authors: Brodmerkel Maxim N. , Thiede Lars , De Santis Emiliano , Uetrecht Charlotte , Caleman Carl , Marklund Erik G.
Published: April 2024

Ion mobility mass spectrometry and molecular dynamics simulations reveal strain-dependent stability and unfolding in the VP1 dimer from the norovirus capsid.
Effect of relative humidity on the molecular composition of secondary organic aerosols from α-pinene ozonolysis
Authors: Luo Hao , Guo Yindong , Shen Hongru , Huang Dan Dan , Zhang Yijun , Zhao Defeng
Published: April 2024

Secondary organic aerosols (SOAs) originating from the oxidation of biogenic volatile organic compounds such as monoterpenes by atmospheric oxidants (e.g. OH, ozone, and NO3), constitute a widespread source of organic aerosols in the atmosphere.
In situ growth of binder-free CoNi0.5-MOF/CC electrode for high-performance flexible solid-state supercapacitor application
Authors: Zhang Weijie , Cao Zhen , Li Yuying , Li Ruiting , Zheng Yanmei , Su Ping , Guo Xinli
Published: April 2024

We prepared an electrode by in situ growth of CoNi0.5-MOF on H2O2-pretreated carbon cloth without a binder, with high specific capacitance (1337.5 F g−1 at 1 A g−1) and excellent rate ability. An assembled flexible device has high energy density.
Fine-tuning of organic optical double-donor NLO chromophores with DA-supported functional groups
Authors: Rahman Abdul , Bo Shuhui , Ali Amjad , Zhang Lian , Alomer Suliman Yousef , Liu Fenggang
Published: April 2024

A new fine-tunned strategic chromophore with updated version of BLD1 and BLD3 chromophores were reported.
Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt–porphyrin complexes
Authors: Alvarez-Hernandez Jose L. , Zhang Xiaowei , Cui Kai , Deziel Anthony P. , Hammes-Schiffer Sharon , Hazari Nilay , Piekut Nicole , Zhong Mingjiang
Published: April 2024

The redox properties of a CoII–porphyrin complex are tuned via Lewis acid binding to a pendant aza-crown ether and changes to the solution ionic strength.
Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations
Authors: Bhattacharjee Sinjini , Arra Srilatha , Daidone Isabella , Pantazis Dimitrios A.
Published: April 2024

QM/MM simulations and the perturbed matrix method are used to investigate a crucial photosynthetic antenna complex, mapping its global excitonic structure and revealing the presence of a low-lying charge transfer state.
Large-scale validation of a plasmonic sensor for SARS-CoV-2 pseudo-neutralization with a cohort of food and retail workers
Authors: Coutu Julien , Ricard Pierre , Djaïleb Abdelhadi , Lavallée Étienne , Rabezanahary Henintsoa , Stuible Matthew , Durocher Yves , Gilbert Caroline , Brousseau Nicholas , Santerre Kim , Thériault Mathieu , Trottier Sylvie , Boudreau Denis , Langlois Marc-André , Pelletier Joelle N. , Baz Mariana , Masson Jean-Francois
Published: April 2024

Plasmonic sensors are candidates for numerous clinical applications, but few examples demonstrate their performance on large sample cohorts, a necessary step for clinical translation.
Mineral formation explains the high retention efficiency of dissolved reactive phosphorus in a residential stormwater pond
Authors: Shafii Mahyar , Slowinski Stephanie , Sabur Md Abdus , Arvisais Alina , Bhusal Yubraj , Withers William , Krogstad Konrad J. , Parsons Chris T. , Van Cappellen Philippe
Published: April 2024

Stormwater ponds (SWPs) alter the export of the macronutrient phosphorus (P) from urban landscapes, hence impacting the trophic state and water quality of downstream aquatic environments.
A comprehensive HRMS methodology using LC-(ESI)-/GC-(APCI)-QTOF MS complementary platforms for wide-scope target screening of >750 pesticides in olive oil
Authors: Drakopoulou Sofia K. , Kokolakis Stefanos E. , Karagiannidis Apostolos L. , Dasenaki Marilena E. , Maragou Niki C. , Thomaidis Nikolaos S.
Published: April 2024

This study presents a robust and validated HRMS method for the determination of 771 pesticides in olive oil. LC-ESI/GC-APCI-QTOF MS was employed for the analysis.
Plastron effect enhanced electrochemical CO2 reduction activity over hydrophobic three-dimensional nanoporous silver
Authors: Xue Yu , Zhu Yingming , He Chuan , Wu Kejing , Liu Yingying , Wang Binshen , Lu Houfang , Liang Bin
Published: April 2024

An electrochemical reduction approach was employed to fabricate a hydrophobic three-dimensional nanoporous silver catalyst with a plastron effect, leading to improvement of the performance of CO2RR.
Regioselective synthesis of N-containing polycyclic compounds via radical annulation cyclization of 1,7-dienes with aldehydes
Authors: Sui Jia-Li , Zhong Long-Jin , Xiong Bi-Quan , Tang Ke-Wen , Liu Yu
Published: April 2024

A convenient method for oxidant-promoted radical cascade acylation or decarbonylative alkylation of 1,7-dienes with aldehydes for the construction of tetracyclic N-containing skeletons has been established.
Recent advances in nucleic acid signal amplification-based aptasensors for sensing mycotoxins
Authors: Zhang Dandan , Luo Ting , Cai Xiangyue , Zhao Ning-ning , Zhang Chun-yang
Published: April 2024

We present a comprehensive review of the recent advances in nucleic acid signal amplification-based aptasensors for assaying mycotoxins.
Three-dimensional ordered macroporous LaFe1−xMnxO3 with high stability for efficient NO oxidation and sulfur resistance
Authors: Zuo Shengjie , Wang Ping , He Miao , Yao Jiasai , Li Haocheng , Xiong Jing , Sun Xiaohua , Wei Yuechang , Li Zhenxing
Published: April 2024

Three-dimensional ordered macroporous perovskite oxide catalysts with different iron-manganese ratios were prepared by a hard template method for NO oxidation.
An advanced Ru-based alkaline HER electrocatalyst benefiting from Volmer-step promoting 5d and 3d co-catalysts
Authors: Ramaprakash M. , G Nasrin Banu , Neppolian Bernaurdshaw , Sengeni Anantharaj
Published: April 2024

This work brings out a three-way strategy of building a self-supported highly active yet stable electrocatalyst based on Ni, W, and Ru-based trimetallic systems for alkaline HER.
Inherited construction of porous zinc hydroxide sulfate layer for stable dendrite-free Zn anode
Authors: Xiang Zhicheng , Qiu Yubing , Guo Xingpeng , Qi Kai , Xu Zheng-Long , Xia Bao Yu
Published: April 2024

A zinc hydroxide sulfate layer inheriting the ordered structure and porous channels of MOF was developed for high-performance Zn anodes.
“Freezing” intermediate phases for efficient and stable FAPbI3 perovskite solar cells
Authors: Chen Muyang , Niu Tingting , Chao Lingfeng , Duan Xiaozheng , Wang Jingpei , Pan Tengfei , Li Yajing , Zhang Junhan , Wang Chenyue , Ren Biyun , Guo Lijuan , Hatamvand Mohammad , Zhang Jing , Guo Qingxun , Xia Yingdong , Gao Xingyu , Chen Yonghua
Published: April 2024

Preparation of low defect density FAPbI3 perovskite thin films by adjusting the process temperature to −20 °C for high-performance perovskite solar cells.
Degradation of sodium co-intercalation chemistry and ether-derived interphase on graphite anodes during calendar aging
Authors: Wang Jiali , Hu Junyang , Kang Feiyu , Zhai Dengyun
Published: April 2024

Abnormal calendar aging is found that more severe capacity loss and decreased CE appears in partially sodiated graphite anodes. The aging indicators, intercalation degradation and SEI evolution exhibited high consistency on SOC dependence.
2023 Outstanding Papers published in the Environmental Science journals of the Royal Society of Chemistry
Authors: Cai Zongwei , Donahue Neil , Gagnon Graham , Jones Kevin C. , Manaia Célia , Sunderland Elsie , Vikesland Peter J.
Published: April 2024

The Editors-in-Chief of the Environmental Science journals introduce the Outstanding Papers of 2023.
Effect of inulin, galacto-oligosaccharides, and polyphenols on the gut microbiota, with a focus on Akkermansia muciniphila
Authors: Tian Ruocen , Yu Leilei , Tian Fengwei , Zhao Jianxin , Chen Wei , Zhai Qixiao
Published: April 2024

GOS intervention increases A. muciniphila abundance in healthy individuals, which is potentially due to the facilitation of interspecies correlation among A. muciniphila and its coexisting microbes.
Counter-current chromatography for lignin monomer–monomer and monomer–oligomer separations from reductive catalytic fractionation oil
Authors: Choi Hoon , Alherech Manar , Jang Jun Hee , Woodworth Sean P. , Ramirez Kelsey J. , Karp Eric M. , Beckham Gregg T.
Published: April 2024

Counter-current chromatography is an effective unit operation for simultaneous aromatic monomer–monomer and monomer–oligomer separations from oil derived from reductive catalytic fractionation of lignocellulosic biomass.
Mechanochemical aerobic oxidative Heck coupling by polymer-assisted grinding: cyclodextrin additive facilitating regioselectivity control
Authors: Xiang Keyu , Shou Haowen , Hu Chenhui , Su Weike , Yu Jingbo
Published: April 2024

A novel approach utilizing the polymer-assisted grinding (POLAG) technique to facilitate the regioselective oxidative Heck coupling of aryl boronic acids with electronically unbiased olefins under solvent-free conditions was presented.
Purification of boron using a combination of cationic and boron-specific resins and determination of boron isotopic composition in sediments by MC-ICP-MS
Authors: Zhang Ning , Wen Xue-Qin , He Mao-Yong , Ren Tongxiang , Deng Li , Cheng Yuanyuan , Zhang Xiaolin , Guo Junhua
Published: April 2024

Boron is a lithophilic and biophilic element. Boron isotopes in sediments provide insight in the Earth's history. Boron is purified by a combination of cationic and boron-specific resins, and the isotopic composition of boron in sediments can be determined with high accuracy by MC-ICP-MS.
Defect healing and doping of CVD graphene by thermal sulfurization
Authors: Bianco Giuseppe Valerio , Sacchetti Alberto , Milella Antonella , Giangregorio Maria Michela , Dicorato Stefano , Bruno Giovanni
Published: April 2024

Selective healing action of morphological defects in CVD graphene by sulfur leaves unchanged chemical defects that are potentially useful for subsequent chemical functionalization.
Nanocosmos of catalysis: a voyage through synthesis, properties, and enhanced photocatalytic degradation in nickel sulfide nanocomposites
Authors: Sarkar Nityananda , Mishra Soumya Ranjan , Gadore Vishal , Panigrahi Biswaranjan , Ahmaruzzaman Md.
Published: April 2024

The review paper discusses the synthesis, physiochemical properties, and photocatalytic activity of NiS nanoparticles and ways to improve the photocatalytic performance.
A robust dual-network hydrogel electrolyte coupled with a porous carbon material for flexible quasi-solid-state zinc ion hybrid supercapacitors
Authors: Ji Chenchen , Lin Xinhong , Hong Yang , Liu Junfeng , Liu Aoteng , Yao Yijia , Liu Sicheng , Mi Hongyu
Published: April 2024

A hydrogel electrolyte was designed by constructing a multi-crosslinked network. The quasi-solid-state ZHSC based on the hydrogel electrolyte and HSSPC delivers a high specific capacity, high energy/power densities, and good cycle stability.
Conjugated microporous polymer with matched energy band structure as photocatalyst for simultaneous removal of heavy metal ion and organic pollutant
Authors: Zang Jing , Bao Changjiang , Li Hao , Gao Yue , Dou Xiaohan , Li Yanwei , Dong Wenyue , Shi Linfang , Li Yanhui , Duan Qian
Published: April 2024

A novel conjugated microporous polymer (TAPP-PD-CMP) with adequate band-edge position for photo-reduction and photo-oxidation reaction was synthesized. The cooperative photocatalytic mechanism was elucidated.
From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines
Authors: Zou Jie , Pan Yi , Zhang Di , Zhang Jie , Chen Weilong , Sun Hongyan , Lau Kai-Chung , Luo Jingdong
Published: April 2024

Direct transfer hydrogenation from a strong electron donor to highly polarizable hemicyanines was discovered in the synthesis of push–pull chromophores. The reaction mechanism and experimental results were elucidated using DFT calculations.
Regioselective synthesis of 4-arylamino-1,2-naphthoquinones in eutectogel as a confined reaction medium using LED light
Authors: Vara Prasad R. , Kumar Yogendra , Arun Kumar R. , Banoo Tohira , Nagarajan Subbiah
Published: April 2024

The use of a simple carbohydrate-derived eutectogel facilitating a LED-light-induced regioselective synthesis of 4-arylamino-1,2-naphthoquinones in good yields is reported.
A model binary system for the evaluation of novel ion pair formulations of diclofenac
Authors: Cristofoli Mignon , Hadgraft Jonathan , Lane Majella E. , Sil Bruno C.
Published: April 2024

Formulation containing diclofenac and l-histidine ions. Some of these create ion pairs allowing them to partition into the skin.
Near-infrared-photoinduced metamagnet based on a layered cyanido-bridged Co–W assembly with π–π interactions
Authors: Nakamura Kazuki , Nakabayashi Koji , Kobayashi Shota , Ohkoshi Shin-ichi
Published: April 2024

A cyanido-bridged Co–W assembly with π–π interactions showed a thermal phase transition and a photo–induced metamagnetism based on a charge transfer–induced spin transition.
A retro-Mannich mediated transformation of Morita–Baylis–Hillman ketones to saturated imidazo[1,2-a]pyridines
Authors: Sharma Sachin , Jha Ajit Kumar , Easwar Srinivasan
Published: April 2024

Two fruits felled with one stone! – a proof of mechanism and a synthetic method that delivers a privileged heterocyclic motif.
Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines
Authors: Sun Jinghui , Yan Yifei , Chen Xuanxuan , Huang Zhiwei , Huang Yinhua
Published: April 2024

A Pd-catalyzed atroposelective phosphination of cyclic biarylsulfonium salts with HPAr3Ar4 for straightforward synthesis of chiral phosphines bearing a stereogenic axis or both a stereogenic axis and a P-stereogenic center is reported.
Spatial and temporal differentiation of air quality and its influence factors in 16 cities in Shandong Province from 2019 to 2020
Authors: Wan Ziheng , Yang Chuanxi , Wang Xiaoning , Xue Yan , Zhao Jianai , Cui Jiayi , Guo Qianqian , Hua HuiJuan , Sun Haofen , Chen Dong , Zhao Weihua , Xiao Yihua , Wang Weiliang
Published: April 2024

Ambient air quality is a complex dynamical system that is affected by a number of subsystems, such as particulate matter emission, meteorological factors, and socioeconomic factors.
From waste to precious: recovering and anchoring Au from electronic wastewater onto poly(m-phenylenediamine) membranes for catalytic nitrophenol conversion
Authors: Xu Youmei , Chen Yuchao , Wang Mengxia , Shu Yufei , Cao Siyu , Wang Zhongying
Published: April 2024

Innovative Au@PmPD membranes achieve 100% gold recovery from e-waste and efficient 4-nitrophenol reduction in wastewater treatment.
Expression of neuronal NO synthase α- and β-isoforms in skeletal muscle of mice
Authors: Baum Oliver
Published: April 2024

Knowledge of the primary structure of neuronal NO synthase (nNOS) in skeletal muscle is still conflicting and needs further clarification. To elucidate the expression patterns of nNOS isoforms at both mRNA and protein level, systematic reverse transcription (RT)-PCR and epitope mapping by qualitative immunoblot analysis on skeletal muscle of C57/BL6 mice were performed. The ability of the nNOS isoforms to form aggregates was characterized by native low-temperature polyacrylamide electrophoresis (LT-PAGE). The molecular analysis was focused on the rectus femoris (RF) muscle, a skeletal muscle with a nearly balanced ratio of nNOS α- and β-isoforms. RT-PCR amplificates from RF muscles showed exclusive exon-1d mRNA expression, either with or without exon-μ. Epitope mapping demonstrated the simultaneous expression of the nNOS splice variants α/μ, α/non-μ, β/μ and β/non-μ. Furthermore, immunoblotting suggests that the transition between nNOS α- and β-isoforms lies within exon-3. In LT-PAGE, three protein nNOS associated aggregates were detected in homogenates of RF muscle and tibialis anterior muscle: a 320 kDa band containing nNOS α-isoforms, while 250 and 300 kDa bands consist of nNOS β-isoforms that form homodimers or heterodimers with non-nNOS proteins.
Retrieval Practice and Word Learning by Children With Developmental Language Disorder: Does Expanding Retrieval Provide Additional Benefit?
Authors: Leonard Laurence B. , Christ Sharon L. , Deevy Patricia , Karpicke Jeffrey , Kueser Justin B.
Published: April 2024

Purpose:

The word learning of preschool-age children with developmental language disorder (DLD) is improved when spaced retrieval practice is incorporated into the learning sessions. In this preregistered study, we compared two types of spacing—an expanding retrieval practice schedule and an equally spaced schedule—to determine if one of these approaches yields better word learning outcomes for the children.

Method:

Fourteen children with DLD aged 4–5 years and 14 same-age children with typical language development (TD) learned eight novel nouns over two sessions. Spacing for half of the novel words was expanded gradually during learning; for the remaining novel words, greater spacing remained at the same level throughout learning. Immediately after the second session and 1 week later, the children's recall of the words was tested.

Results:

The children with TD recalled more novel words than the children with DLD, although this difference could be accounted for by differences in the children's standardized receptive vocabulary test scores. The two groups were similar in their ability to retain the words over 1 week. Initially, the shorter spacing in the expanding schedule resulted in greater retrieval success than the corresponding (longer spaced) retrieval trials in the equally spaced schedule. These early shorter spaced trials also seemed to benefit retrieval of the trials with greater spacing that immediately followed. However, as the learning period progressed, the accuracy levels for the two conditions converged and were likewise similar during final testing.

Conclusion:

We need a greater understanding of how and when short spacing can be helpful to children's word learning, with the recognition that early gains might give a misleading picture of the benefits that short spacing can provide to longer term retention.

Supplemental Material:

https://doi.org/10.23641/asha.25537696
Zero/low overshoot conditions based on maximally‐flatness for PID‐type controller design for uncertain systems with time‐delay or zeros
Authors: Canevi Mehmet , Söylemez Mehmet Turan
Published: April 2024

This paper extends the characteristic ratio approach using novel inequalities to ensure zero/low overshoot for linear‐time‐invariant systems with zeros. The extension provided by this paper is based on the maximally‐flatness property of a transfer function, where the square‐magnitude of the transfer function is ensured to be a low‐pass filter. In order to be able to design low‐order/fixed structure controllers, a partial pole‐assignment approach is used instead of the full pole‐assignment used in the Characteristic Ratio Assignment (CRA) method. The developed inequalities and additional stability conditions are combined into an optimization problem using time domain restrictions when necessary. Although the method given in the paper is general, particular inequalities are developed for PI and PI‐PD controller cases, due to their frequent use in industrial applications. Similarly, First‐Order‐Plus‐Delay‐Time (FOPDT) and Second‐Order‐Plus‐Delay‐Time (SOPDT) systems are considered specifically, since most of the practical systems can be approximated by one of these types. The study is extended to plants with uncertainties where a theorem is developed to decrease computation time dramatically. The benefits of the proposed methods are demonstrated by several examples.