bluuebunny/crossref_metadata_2025 huggingface dataset:
Interlayer donor-acceptor pair excitons in MoSe2/WSe2 moiré heterobilayer
Authors: Cai Hongbing , Rasmita Abdullah , Tan Qinghai , Lai Jia-Min , He Ruihua , Cai Xiangbin , Zhao Yan , Chen Disheng , Wang Naizhou , Mu Zhao , Huang Zumeng , Zhang Zhaowei , Eng John J. H. , Liu Yuanda , She Yongzhi , Pan Nan , Miao Yansong , Wang Xiaoping , Liu Xiaogang , Zhang Jun , Gao Weibo
Published: September 2023

Localized interlayer excitons (LIXs) in two-dimensional moiré superlattices exhibit sharp and dense emission peaks, making them promising as highly tunable single-photon sources. However, the fundamental nature of these LIXs is still elusive. Here, we show the donor-acceptor pair (DAP) mechanism as one of the origins of these excitonic peaks. Numerical simulation results of the DAP model agree with the experimental photoluminescence spectra of LIX in the moiré MoSe2/WSe2 heterobilayer. In particular, we find that the emission energy-lifetime correlation and the nonmonotonic power dependence of the lifetime agree well with the DAP IX model. Our results provide insight into the physical mechanism of LIX formation in moiré heterostructures and pave new directions for engineering interlayer exciton properties in moiré superlattices.
Strong electron-phonon coupling driven pseudogap modulation and density-wave fluctuations in a correlated polar metal
Authors: Wang Huaiyu , Xiong Yihuang , Padma Hari , Wang Yi , Wang Ziqi , Claes Romain , Brunin Guillaume , Min Lujin , Zu Rui , Wetherington Maxwell T. , Wang Yu , Mao Zhiqiang , Hautier Geoffroy , Chen Long-Qing , Dabo Ismaila , Gopalan Venkatraman
Published: September 2023

There is tremendous interest in employing collective excitations of the lattice, spin, charge, and orbitals to tune strongly correlated electronic phenomena. We report such an effect in a ruthenate, Ca3Ru2O7, where two phonons with strong electron-phonon coupling modulate the electronic pseudogap as well as mediate charge and spin density wave fluctuations. Combining temperature-dependent Raman spectroscopy with density functional theory reveals two phonons, B2P and B2M, that are strongly coupled to electrons and whose scattering intensities respectively dominate in the pseudogap versus the metallic phases. The B2P squeezes the octahedra along the out of plane c-axis, while the B2M elongates it, thus modulating the Ru 4d orbital splitting and the bandwidth of the in-plane electron hopping; Thus, B2P opens the pseudogap, while B2M closes it. Moreover, the B2 phonons mediate incoherent charge and spin density wave fluctuations, as evidenced by changes in the background electronic Raman scattering that exhibit unique symmetry signatures. The polar order breaks inversion symmetry, enabling infrared activity of these phonons, paving the way for coherent light-driven control of electronic transport.
Promiscuous CYP87A enzyme activity initiates cardenolide biosynthesis in plants
Authors: Kunert Maritta , Langley Chloe , Lucier Rosalind , Ploss Kerstin , Rodríguez López Carlos E. , Serna Guerrero Delia A. , Rothe Eva , O’Connor Sarah E. , Sonawane Prashant D.
Published: September 2023

Cardenolides are specialized, steroidal metabolites produced in a wide array of plant families1,2. Cardenolides play protective roles in plants, but these molecules, including digoxin from foxglove (Digitalis spp.), are better known for treatment of congenital heart failure, atrial arrhythmia, various cancers and other chronic diseases3–9. However, it is still unknown how plants synthesize ‘high-value’, complex cardenolide structures from, presumably, a sterol precursor. Here we identify two cytochrome P450, family 87, subfamily A (CYP87A) enzymes that act on both cholesterol and phytosterols (campesterol and β-sitosterol) to form pregnenolone, the first committed step in cardenolide biosynthesis in the two phylogenetically distant plants Digitalis purpurea and Calotropis procera. Arabidopsis plants overexpressing these CYP87A enzymes ectopically accumulated pregnenolone, whereas silencing of CYP87A in D. purpurea leaves by RNA interference resulted in substantial reduction of pregnenolone and cardenolides. Our work uncovers the key entry point to the cardenolide pathway, and expands the toolbox for sustainable production of high-value plant steroids via synthetic biology.
Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography
Authors: Wolff Alexander M. , Nango Eriko , Young Iris D. , Brewster Aaron S. , Kubo Minoru , Nomura Takashi , Sugahara Michihiro , Owada Shigeki , Barad Benjamin A. , Ito Kazutaka , Bhowmick Asmit , Carbajo Sergio , Hino Tomoya , Holton James M. , Im Dohyun , O’Riordan Lee J. , Tanaka Tomoyuki , Tanaka Rie , Sierra Raymond G. , Yumoto Fumiaki , Tono Kensuke , Iwata So , Sauter Nicholas K. , Fraser James S. , Thompson Michael C.
Published: September 2023

Understanding and controlling protein motion at atomic resolution is a hallmark challenge for structural biologists and protein engineers because conformational dynamics are essential for complex functions such as enzyme catalysis and allosteric regulation. Time-resolved crystallography offers a window into protein motions, yet without a universal perturbation to initiate conformational changes the method has been limited in scope. Here we couple a solvent-based temperature jump with time-resolved crystallography to visualize structural motions in lysozyme, a dynamic enzyme. We observed widespread atomic vibrations on the nanosecond timescale, which evolve on the submillisecond timescale into localized structural fluctuations that are coupled to the active site. An orthogonal perturbation to the enzyme, inhibitor binding, altered these dynamics by blocking key motions that allow energy to dissipate from vibrations into functional movements linked to the catalytic cycle. Because temperature jump is a universal method for perturbing molecular motion, the method demonstrated here is broadly applicable for studying protein dynamics.
A daily high-resolution (1 km) human thermal index collection over the North China Plain from 2003 to 2020
Authors: Li Xiang , Luo Ming , Zhao Yongquan , Zhang Hui , Ge Erjia , Huang Ziwei , Wu Sijia , Wang Peng , Wang Xiaoyu , Tang Yu
Published: September 2023

Human-perceived temperature (HPT) describes the joint effects of multiple climatic factors such as temperature and humidity. Extreme HPT events may reduce labor capacity and cause thermal discomfort and even mortality. These events are becoming more frequent and more intense under global warming, posing severe threats to human and natural systems worldwide, particularly in populated areas with intensive human activities, e.g., the North China Plain (NCP). Therefore, a fine-scale HPT dataset in both spatial and temporal dimensions is urgently needed. Here we construct a daily high-resolution (~1 km) human thermal index collection over NCP from 2003 to 2020 (HiTIC-NCP). This dataset contains 12 HPT indices and has high accuracy with averaged determination coefficient, mean absolute error, and root mean squared error of 0.987, 0.970 °C, and 1.292 °C, respectively. Moreover, it exhibits high spatiotemporal consistency with ground-level observations. The dataset provides a reference for human thermal environment and could facilitate studies such as natural hazards, regional climate change, and urban planning.
A multispecies competitive nanobody-based ELISA for the detection of antibodies against hepatitis E virus
Authors: Arce Lorena Paola , Pavan María Florencia , Bok Marina , Gutiérrez Silvina Elena , Estein Silvia Marcela , Santos Agostina Tammone , Condorí Walter Ezequiel , Uhart Marcela María , Parreño Viviana , Vizoso-Pinto María Guadalupe , Ibañez Lorena Itatí
Published: September 2023

The hepatitis E virus (HEV) is an emergent zoonotic virus causing viral hepatitis worldwide. Clinically, hepatitis E is not easily distinguished from other types of acute viral hepatitis. There is a need for HEV diagnostic assays to detect and prevent interspecies transmission among susceptible populations. Nanobodies (Nbs) are expressed recombinantly in different systems, produced with high yields, and have superior physicochemical properties compared with conventional antibodies (Ab). Several Nbs against ORF2, the capsid protein and main antigen, were selected and produced in E. coli. Nb39 and Nb74 specifically recognized HEV ORF2 (genotypes 3 and 4). A competitive ELISA (cELISA) was developed and validated using a reference panel of human (n = 86) and swine sera (n = 116) tested in comparison with a commercial kit. The optimal cutoff values determined by ROC analysis were 69.16% (human) and 58.76% (swine); the sensitivity and specificity were high: 97.4% (95% CI 86.5–99.5%) and 95.8% (95% CI 86.0–98.8%) for human vs. 100% (95% CI 93.5–100%) and 98.3% (95% CI 91.0–99.7%) for swine. Further, the cELISA detected total anti-HEV antibodies in wild boar, deer, and mice. To our knowledge, this is the first report of production of Nbs against HEV-3 ORF2 for diagnostic purposes.
Renewable-based charging in green ride-sharing
Authors: Perotti Elisabetta , Ospina Ana M. , Bianchin Gianluca , Simonetto Andrea , Dall’Anese Emiliano
Published: September 2023

Governments, regulatory bodies, and manufacturers are proposing plans to accelerate the adoption of electric vehicles (EVs), with the goal of reducing the impact of greenhouse gases and pollutants from internal combustion engines on human health and climate change. In this context, the paper considers a scenario where ride-sharing enterprises utilize a 100%-electrified fleet of vehicles, and seeks responses to the following key question: How can renewable-based EV charging be maximized without disrupting the quality of the ride-sharing services? We propose a new mechanism to promote EV charging during hours of high renewable generation, and we introduce the concept of charge request, which is issued by a power utility company. Our mechanism is inspired by a game-theoretic approach where the power utility company proposes incentives and the ride-sharing platform assigns vehicles to both ride and charge requests; the bargaining mechanism leads to prices and EV assignments that are aligned with the notion of Nash equilibria. Numerical results show that it is possible to shift the EV charging during periods of high renewable generation and adapt to intermittent generation while minimizing the impact on the quality of service. The paper also investigates how the users’ willingness to ride-share affects the charging strategy and the quality of service.
Distinct prokaryotic and eukaryotic communities and networks in two agricultural fields of central Japan with different histories of maize–cabbage rotation
Authors: Kenmotsu Harutaro , Masuma Tomoro , Murakami Junya , Hirose Yuu , Eki Toshihiko
Published: September 2023

Crop rotation is an important agricultural practice for homeostatic crop cultivation. Here, we applied high-throughput sequencing of ribosomal RNA gene amplicons to investigate soil biota in two fields of central Japan with different histories of maize–cabbage rotation. We identified 3086 eukaryotic and 17,069 prokaryotic sequence variants (SVs) from soil samples from two fields rotating two crops at three different growth stages. The eukaryotic and prokaryotic communities in the four sample groups of two crops and two fields were clearly distinguished using β-diversity analysis. Redundancy analysis showed the relationships of the communities in the fields to pH and nutrient, humus, and/or water content. The complexity of eukaryotic and prokaryotic networks was apparently higher in the cabbage-cultivated soils than those in the maize-cultivated soils. The node SVs (nSVs) of the networks were mainly derived from two eukaryotic phyla: Ascomycota and Cercozoa, and four prokaryotic phyla: Pseudomonadota, Acidobacteriota, Actinomycetota, and Gemmatimonadota. The networks were complexed by cropping from maize to cabbage, suggesting the formation of a flexible network under crop rotation. Ten out of the 16 eukaryotic nSVs were specifically found in the cabbage-cultivated soils were derived from protists, indicating the potential contribution of protists to the formation of complex eukaryotic networks.
Dye removal membrane from electrospun nanofibers of blended polybutylenesuccinate and sulphonated expanded polystyrene waste
Authors: Nady Norhan , Abdel Rehim Mona H. , Badawy Abdelrahman A.
Published: September 2023

Polystyrene (PS) is a thermoplastic polymer used in food packaging and the manufacture of trays and cups, among other applications. In this work, the preparation of a membrane by electrospinning blended sulphonated expanded PS waste and polybutylenesuccinate (PBS) is described. The fiber quality is controlled by selecting the right polymers’ ratios and solvents. Investigation of the structure of the produced membranes by Fourier transform infrared spectroscopy-attenuated total reflectance confirmed the successful sulphonation of expanded PS and the appearance of characteristic (PBS) bands in the prepared blends. Morphology study of the electrospun membranes using a scanning electron microscope revealed that the quality of the fibers is improved significantly by increasing the amount of PBS in the blend solution. Moreover, continuous and more homogenous fibers are produced by increasing the ratio of PBS to 2%. The efficiency of the prepared membranes in dye removal was tested using methylene blue. The effects of different parameters such as, pH, contact time, temperature, and dye concentration have been studied. Also, kinetic and adsorption isotherm models as well as the durability of the prepared membranes were investigated. The membrane prepared from PSS/1% PBS demonstrated the highest dye uptake (846 mol) with good regeneration efficiency. The adsorption process was found to be endothermic and fits the Freundlich isotherm and pseudo-second-order kinetic model. The values of activation energy for the adsorption process are 36.98, 30.70, and 43.40 kJ/mol over PSS, PSS/1% PBS and PSS/2% PBS, respectively.
A comprehensive analysis of the role of QPRT in breast cancer
Authors: Yan Yiqing , Li Lun , Wang Zixin , Pang Jian , Guan Xinyu , Yuan Yunchang , Xia Zhenkun , Yi Wenjun
Published: September 2023

To explore the clinical role of QPRT in breast cancer. The gene expression, methylation levels and prognostic value of QPRT in breast cancer was analyzed using TCGA data. Validation was performed using the data from GEO dataset and TNMPLOT database. Meta analysis method was used to pool the survival data for QPRT. The predictive values of QPRT for different drugs were retrieved from the ROC plot. The expression differences of QPRT in acquired drug-resistant and sensitive cell lines were analyzed using GEO datasets. GO and KEGG enrichment analysis were conducted for those genes which were highly co-expressed with QPRT in tissue based on TCGA data and which changed after QPRT knockdown. Timer2.0 was utilized to explore the correlation between QPRT and immune cells infiltration, and the Human Protein Atlas was used to analyse QPRT’s single-cell sequencing data across different human tissues. The expression of QPRT in different types of macrophages, and the expression of QPRT were analysed after coculturing HER2+ breast cancer cells with macrophages. Additionally, TargetScan, Comparative Toxicogenomics and the connectivity map were used to research miRNAs and drugs that could regulate QPRT expression. Cytoscape was used to map the interaction networks between QPRT and other proteins. QPRT was highly expressed in breast cancer tissue and highly expressed in HER2+ breast cancer patients (P < 0.01). High QPRT expression levels were associated with worse OS, DMFS, and RFS (P < 0.01). Two sites (cg02640602 and cg06453916) were found to be potential regulators of breast cancer (P < 0.01). QPRT might predict survival benefits in breast cancer patients who received taxane or anthracycline. QPRT was associated with tumour immunity, especially in macrophages. QPRT may influence the occurrence and progression of breast cancer through the PI3K-AKT signalling pathway, Wnt signalling pathway, and cell cycle-related molecules.
Discovery and characterisation of socially polarised communities on social media
Authors: Alvarez-Galvez Javier , Cruz Fermin L. , Troyano Jose A.
Published: September 2023

Social polarisation processes have become a central phenomenon for the explanation of population behavioural dynamics in today's societies. Although recent works offer solutions for the detection of polarised political communities in social media, there is still a lack of works that allow an adequate characterization of the specific topics on which these divides between social groups are articulated. Our study aims to discover and characterise antagonistic communities on Twitter based on a method that combines the identification of authorities and textual classifiers around three public debates that have recently produced major controversies: (1) vaccination; (2) climate change; and (3) abortion. The proposed method allows the capture of polarised communities with little effort, requiring only the selection of some terms that characterise the topic and some initial authorities. Our findings show that the processes of social polarisation can vary considerably depending on the subject on which the debates are articulated. Specifically, polarisation manifests more prominently in the realms of vaccination and abortion, whereas this divide is less apparent in the context of climate change.
Heatwave resilience of juvenile white sturgeon is associated with epigenetic and transcriptional alterations
Authors: Earhart Madison L. , Blanchard Tessa S. , Strowbridge Nicholas , Sheena Ravinder , McMaster Clark , Staples Benjamin , Brauner Colin J. , Baker Daniel W. , Schulte Patricia M.
Published: September 2023

Heatwaves are increasing in frequency and severity, posing a significant threat to organisms globally. In aquatic environments heatwaves are often associated with low environmental oxygen, which is a deadly combination for fish. However, surprisingly little is known about the capacity of fishes to withstand these interacting stressors. This issue is particularly critical for species of extreme conservation concern such as sturgeon. We assessed the tolerance of juvenile white sturgeon from an endangered population to heatwave exposure and investigated how this exposure affects tolerance to additional acute stressors. We measured whole-animal thermal and hypoxic performance and underlying epigenetic and transcriptional mechanisms. Sturgeon exposed to a simulated heatwave had increased thermal tolerance and exhibited complete compensation for the effects of acute hypoxia. These changes were associated with an increase in mRNA levels involved in thermal and hypoxic stress (hsp90a, hsp90b, hsp70 and hif1a) following these stressors. Global DNA methylation was sensitive to heatwave exposure and rapidly responded to acute thermal and hypoxia stress over the course of an hour. These data demonstrate that juvenile white sturgeon exhibit substantial resilience to heatwaves, associated with improved cross-tolerance to additional acute stressors and involving rapid responses in both epigenetic and transcriptional mechanisms.
Enhancing scientific transparency in national CO2 emissions reports via satellite-based a posteriori estimates
Authors: Watanabe Masataka , Oba Akihiro , Saito Yoko , Purevjav Gomboluudev , Gankhuyag Batjargal , Byamba-Ochir Munkhbat , Zamba Batjargal , Shishime Tomohiro
Published: September 2023

Biennial Update Reports (BURs) are essential requirements from the United Nations Framework Convention on Climate Change (UNFCCC). However, many non-Annex I countries have not submitted these reports due to difficulties in compiling the inventories. We developed a satellite-based method for the top-down inverse estimation of CO2emissions using partial-column data in the lower troposphere obtained by the Greenhouse Gases Observing Satellite, adopted to validate the Mongolian 2ndBUR (BUR2) for the energy sector in 2018. The estimated CO2emissions were only 1.5% higher than those reported in the BUR2; these were also very close (4.2% smaller) to estimates from the Emission Database for Global Atmospheric Research. Mongolia is the first country to introduce an independent inverse estimate in its BUR, thereby increasing scientific transparency. Our method could be applied into other countries and could be incorporated into UNFCCC reporting guidelines, significantly improving global CO2emission estimates.
Submarine optical fiber communication provides an unrealized deep-sea observation network
Authors: Guo Yujian , Marin Juan M. , Ashry Islam , Trichili Abderrahmen , Havlik Michelle-Nicole , Ng Tien Khee , Duarte Carlos M. , Ooi Boon S.
Published: September 2023

Oceans are crucial to human survival, providing natural resources and most of the global oxygen supply, and are responsible for a large portion of worldwide economic development. Although it is widely considered a silent world, the sea is filled with natural sounds generated by marine life and geological processes. Man-made underwater sounds, such as active sonars, maritime traffic, and offshore oil and mineral exploration, have significantly affected underwater soundscapes and species. In this work, we report on a joint optical fiber-based communication and sensing technology aiming to reduce noise pollution in the sea while providing connectivity simultaneously with a variety of underwater applications. The designed multifunctional fiber-based system enables two-way data transfer, monitoring marine life and ship movement near the deployed fiber at the sea bottom and sensing temperature. The deployed fiber is equally harnessed to transfer energy that the internet of underwater things (IoUTs) devices can harvest. The reported approach significantly reduces the costs and effects of monitoring marine ecosystems while ensuring data transfer and ocean monitoring applications and providing continuous power for submerged IoUT devices.
Dandelion flower-fabricated Ag nanoparticles versus synthetic ones with characterization and determination of photocatalytic, antioxidant, antibacterial, and α-glucosidase inhibitory activities
Authors: Yousefzadeh-Valendeh Soheil , Fattahi Mohammad , Asghari Behvar , Alizadeh Zeinab
Published: September 2023

In the present work, Silver nanoparticles (AgNPs) were fabricated through the dandelion flower hydroalcoholic extract, and their properties were characterized by FTIR, XRD, UV visible, SEM, and EDX. The results demonstrated that the average diameter of the green fabricated AgNPs is 45–55 nm (G-AgNPs). The antioxidant, antimicrobial, antidiabetic, and photocatalytic properties of G-AgNPs were compared with two commercially available different diameter sizes (20 and 80–100 nm) of AgNPs (C-AgNPs1- and C-AgNPs2, respectively). The sample's capacity for antioxidants was evaluated by DPPH free radical scavenging method. The consequences showed that G-AgNPs have higher radical scavenging activity (47.8%) than C-AgNPs2 (39.49%) and C-AgNPs1 (33.91%). To investigate the photocatalytic property, methylene blue dye was used. The results displayed that G-AgNPs is an effective photo-catalyst compared to C-AgNPs2 and C-AgNPs1, which respectively have an inhibition potential of 75.22, 51.94, and 56.65%. Also, the antimicrobial capacity of nanoparticles was assayed against, the gram-negative Escherichia coli and gram-positive Staphylococcus aureus bacteria. The results indicated that G-AgNPs could effectively inhibit the growth of both bacteria, compared to C-AgNPs1 and C-AgNPs2. Finally, G-AgNPs exhibited a considerable α-glucosidase enzyme inhibitory effect (88.37%) in comparison with C-AgNPs1 (61.7%) and C-AgNPs2 (50.5%).
Validation of deep learning-based CT image reconstruction for treatment planning
Authors: Yasui Keisuke , Saito Yasunori , Ito Azumi , Douwaki Momoka , Ogawa Shuta , Kasugai Yuri , Ooe Hiromu , Nagake Yuya , Hayashi Naoki
Published: September 2023

Deep learning-based CT image reconstruction (DLR) is a state-of-the-art method for obtaining CT images. This study aimed to evaluate the usefulness of DLR in radiotherapy. Data were acquired using a large-bore CT system and an electron density phantom for radiotherapy. We compared the CT values, image noise, and CT value-to-electron density conversion table of DLR and hybrid iterative reconstruction (H-IR) for various doses. Further, we evaluated three DLR reconstruction strength patterns (Mild, Standard, and Strong). The variations of CT values of DLR and H-IR were large at low doses, and the difference in average CT values was insignificant with less than 10 HU at doses of 100 mAs and above. DLR showed less change in CT values and smaller image noise relative to H-IR. The noise-reduction effect was particularly large in the low-dose region. The difference in image noise between DLR Mild and Standard/Strong was large, suggesting the usefulness of reconstruction intensities higher than Mild. DLR showed stable CT values and low image noise for various materials, even at low doses; particularly for Standard or Strong, the reduction in image noise was significant. These findings indicate the usefulness of DLR in treatment planning using large-bore CT systems.
Function and phylogeny support the independent evolution of an ASIC-like Deg/ENaC channel in the Placozoa
Authors: Elkhatib Wassim , Yanez-Guerra Luis A. , Mayorova Tatiana D. , Currie Mark A. , Singh Anhadvir , Perera Maria , Gauberg Julia , Senatore Adriano
Published: September 2023

ASIC channels are bilaterian proton-gated sodium channels belonging to the large and functionally-diverse Deg/ENaC family that also includes peptide- and mechanically-gated channels. Here, we report that the non-bilaterian invertebrate Trichoplax adhaerens possesses a proton-activated Deg/ENaC channel, TadNaC2, with a unique combination of biophysical features including tachyphylaxis like ASIC1a, reduced proton sensitivity like ASIC2a, biphasic macroscopic currents like ASIC3, as well as low sensitivity to the Deg/ENaC channel blocker amiloride and Ca2+ ions. Structural modeling and mutation analyses reveal that TadNaC2 proton gating is different from ASIC channels, lacking key molecular determinants, and involving unique residues within the palm and finger regions. Phylogenetic analysis reveals that a monophyletic clade of T. adhaerens Deg/ENaC channels, which includes TadNaC2, is phylogenetically distinct from ASIC channels, instead forming a clade with BASIC channels. Altogether, this work suggests that ASIC-like channels evolved independently in T. adhaerens and its phylum Placozoa. Our phylogenetic analysis also identifies several clades of uncharacterized metazoan Deg/ENaC channels, and provides phylogenetic evidence for the existence of Deg/ENaC channels outside of Metazoa, present in the gene data of select unicellular heterokont and filasterea-related species.
Metabolite interactions in the bacterial Calvin cycle and implications for flux regulation
Authors: Sporre Emil , Karlsen Jan , Schriever Karen , Asplund-Samuelsson Johannes , Janasch Markus , Strandberg Linnéa , Karlsson Anna , Kotol David , Zeckey Luise , Piazza Ilaria , Syrén Per-Olof , Edfors Fredrik , Hudson Elton P.
Published: September 2023

Metabolite-level regulation of enzyme activity is important for microbes to cope with environmental shifts. Knowledge of such regulations can also guide strain engineering for biotechnology. Here we apply limited proteolysis-small molecule mapping (LiP-SMap) to identify and compare metabolite-protein interactions in the proteomes of two cyanobacteria and two lithoautotrophic bacteria that fix CO2 using the Calvin cycle. Clustering analysis of the hundreds of detected interactions shows that some metabolites interact in a species-specific manner. We estimate that approximately 35% of interacting metabolites affect enzyme activity in vitro, and the effect is often minor. Using LiP-SMap data as a guide, we find that the Calvin cycle intermediate glyceraldehyde-3-phosphate enhances activity of fructose-1,6/sedoheptulose-1,7-bisphosphatase (F/SBPase) from Synechocystis sp. PCC 6803 and Cupriavidus necator in reducing conditions, suggesting a convergent feed-forward activation of the cycle. In oxidizing conditions, glyceraldehyde-3-phosphate inhibits Synechocystis F/SBPase by promoting enzyme aggregation. In contrast, the glycolytic intermediate glucose-6-phosphate activates F/SBPase from Cupriavidus necator but not F/SBPase from Synechocystis. Thus, metabolite-level regulation of the Calvin cycle is more prevalent than previously appreciated.
An improved algorithm for resolving overlapping peaks in ion mobility spectrometry and its application to the separation of glycan isomers
Authors: Hu Xiangyang , Zhou Junfei , Li Junhui , Gao Wenqing , Zhou Jun , Yu Jiancheng , Tang Keqi
Published: September 2023

An improved algorithm for resolving overlapping peaks in ion mobility spectrometry was proposed and successfully applied to the separation of glycan isomers from both standard glycan overlapping peaks and real samples.
Graph neural network interatomic potential ensembles with calibrated aleatoric and epistemic uncertainty on energy and forces
Authors: Busk Jonas , Schmidt Mikkel N. , Winther Ole , Vegge Tejs , Jørgensen Peter Bjørn
Published: September 2023

A complete framework for training and recalibrating graph neural network ensemble models to produce accurate predictions of interatomic energy and forces with calibrated uncertainty estimates.
Formation of H3O+ and OH by CO2 and N2O trace gases in the atmospheric environment
Authors: Catone Daniele , Castrovilli Mattea Carmen , Nicolanti Francesca , Satta Mauro , Cartoni Antonella
Published: September 2023

This study found that CO2 and N2O catalyze a fast production of H3O+ and OH, the main atmospheric oxidant. Theoretical calculations showed that CO2 and N2O are reformed into excited vibrational levels, quenched by collisions in microseconds.
Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum
Authors: Anjalikrishna Puthannur K. , Gadre Shridhar R. , Suresh Cherumuttathu H.
Published: September 2023

MESP topology analysis suggests a CC bond continuum in chemistry which encompasses all kinds of covalent, non-covalent and borderline cases such as transition states.
A national crowdsourced network of low-cost fine particulate matter and aerosol optical depth monitors: results from the 2021 wildfire season in the United States
Authors: Wendt Eric A. , Ford Bonne , Cheeseman Michael , Rosen Zoey , Pierce Jeffrey R. , Jathar Shantanu H. , L'Orange Christian , Quinn Casey , Long Marilee , Mehaffy John , Miller-Lionberg Daniel D. , Hagan David H. , Volckens John
Published: September 2023

A novel instrument designed for crowdsourced data collection on air quality and aerosol optical depth.
Kinetics of hypochlorous acid reactions with organic and chloride-containing tropospheric aerosol
Authors: Jorga Spiro D. , Liu Tengyu , Wang Yutong , Hassan Sumaiya , Huynh Han , Abbatt Jonathan P. D.
Published: September 2023

This study describes laboratory experiments on the reaction HOCl with chloride-containing aerosol and aerosol containing selected organic compounds with and without chloride.
Correction: Muscle characteristics comparison and targeted metabolome analysis reveal differences in carcass traits and meat quality of three pig breeds
Authors: Song Bo , Cheng Yating , Azad Md. Abul Kalam , Ding Sujuan , Yao Kang , Kong Xiangfeng
Published: September 2023

Correction for ‘Muscle characteristics comparison and targeted metabolome analysis reveal differences in carcass traits and meat quality of three pig breeds’ by Bo Song et al., Food Funct., 2023, 14, 7603–7614, https://doi.org/10.1039/D2FO03709B.
Electrochemical nickel-catalysed defluoroalkylation ofgem-difluoroalkenes with alkyl halides
Authors: Liu Yin , Li Pengfei , Tan Jun , Kou Guangsheng , Ma Dengke , Qiu Youai
Published: September 2023

Herein, a direct and efficient electrochemical method for the synthesis of monofluoroalkene products was promoted usinggem-difluoroalkenes and unactivated alkyl halides as starting materials with a nickel catalyst.
Enhanced cardiomyocyte structural and functional anisotropy through synergetic combination of topographical, conductive, and mechanical stimulation
Authors: Kim Jongyun , Shanmugasundaram Arunkumar , Lee Cheong Bin , Kim Jae Rim , Park Jeong Jae , Kim Eung-Sam , Lee Bong-Kee , Lee Dong-Weon
Published: September 2023

Drug-induced cardiotoxicity, a significant concern in the pharmaceutical industry, often results in the withdrawal of drugs from the market.
Mechanism and kinetics of enzymatic degradation of polyester microparticles using a shrinking particle–shrinking core model
Authors: Torabi Hooman , Javi Farhad , Deisenroth Ted W. , Pho Toan V. , Barbright Victoria , Abbaspourrad Alireza
Published: September 2023

Generalized shrinking particle (SPM) and shrinking core (SCM) models were developed to describe the kinetics of heterogenous enzymatic degradation of polymer microparticles in a continuous microflow system.
Dye adsorption-assisted colloidal dispersion of single-walled carbon nanotubes in polar solvents
Authors: Horibe Akiho , Murayama Tomoko , Kawai Tsuyoshi , Nonoguchi Yoshiyuki
Published: September 2023

Colloidally stable dispersions of SWCNTs in water and polar organic solvents are prepared with the aid of organic adsorbates.
Chiral cyclopropenimine-catalyzed enantioselective Michael additions between benzophenone-imine of glycine esters and α,β-unsaturated pyrazolamides
Authors: Bai Yu-Jun , Wang Xue-Ying , Zhu Si-Kai , Zheng Xiao-Hui , Zhang Sheng-Yong , Wang Ping-An
Published: September 2023

A highly chiral cyclopropenimine-catalyzed enantioselective Michael addition between benzophenone-imine of glycine esters and β-substituted α,β-unsaturated pyrazolamides has been realized to afford Michael adducts in up to 95% yield and 99% ee.
Regulating the release of Mg-MOF from degradable bone cement by coating Mg-MOF with oxidized dextran/gelatin
Authors: Wang B. , Peng S. , Chen H. , Ren H. , Yan Y. , Zhang Q.
Published: September 2023

Oxidized dextran/gelatin (OD/Gel) coated Mg-MOF effectively regulates the release of Mg-MOF in bone cement. It exhibits excellent antibacterial properties and promote cell proliferation and osteogenic differentiation.
The fluorite-like Ln5Mo3O16+δ family extension: LiLn4Mo3O15F (Ln = Eu, Gd, or Dy) ceramics
Authors: Orlova Ekaterina , Sorokin Timofei , Pustovit Alexander , Baldin Egor , Zakharova Elena , Kharitonova Elena , Lyskov Nikolay , Utochnikova Valentina , Alekseeva Olga , Voronkova Valentina
Published: September 2023

A detailed study of the physical properties of the new cubic LiEu4Mo3O15F phase has been conducted. This study reveals a reversible phase transition accompanied by a jump in anionic conductivity to a value of 10−2 S cm−1 at 700 °C in this material.
Lattice distortion and re-distortion affecting irradiation tolerance in high entropy alloys
Authors: Wang Peng-wei , Li Ming-fei , Malomo Babafemi , Yang Liang
Published: September 2023

High entropy alloys exhibit superior resistance against irradiation, owing to their highest initial lattice distortion value and their least lattice re-distortion value.
Atomic/molecular layer deposition of europium–organic thin films on nanoplasmonic structures towards FRET-based applications
Authors: Ghazy Amr , Ylönen Jonas , Subramaniyam Nagarajan , Karppinen Maarit
Published: September 2023

We present a novel atomic/molecular layer deposition (ALD/MLD) process for europium–organic thin films based on Eu(thd)3 and 2-hydroxyquinoline-4-carboxylic acid (HQA) precursors.
Thermo-responsive polymer-based catalytic nanoreactors for controllable catalysis of selective oxidation of alcohols in water
Authors: Wang Xiuwu , Zhu Xiaokang , Zhou Lianpei , Qi Dongming , Hua Zan , Chen Tao
Published: September 2023

The study showcases a thermo-responsive polymer-based nanoreactor for controllable catalysis by “opening” and “closing” of the transport channel of water-soluble reactants.
Synthesis of poly(methyl methacrylate)-b-polyethylene (PMMA-b-PE) block copolymers via conventional emulsion polymerization
Authors: Sinniger L. , Boyron O. , Dugas P. Y. , Patias G. , Lester D. , Haddleton D. M. , Monteil V. , Lansalot M. , D'Agosto F.
Published: September 2023

Block copolymers can be obtained by combining catalytic chain transfer polymerization (CCTP) and conventional free radical emulsion polymerization of ethylene.
An irreversible paper-based profluorescent nitroxide probe for the selective detection of ascorbic acid
Authors: Decha Nattawut , Sirirak Jitnapa , Sooksawat Dhassida , Phonchai Apichai , Pornsuwan Soraya , Tansakul Chittreeya
Published: September 2023

Paper-based fluorescent sensor with irreversible reaction for more precise determination of ascorbic acid.
A highly sensitive flexible humidity sensor based on conductive tape and a carboxymethyl cellulose@graphene composite
Authors: Wang Haoxiang , Tang Chengli , Xu Jun
Published: September 2023

A flexible humidity sensor was prepared with carboxymethyl cellulose@graphene as the sensing material and conductive tape as the substrate. The humidity sensing property was determined by the ionic conduction, electron conduction and swelling effect.
The microwave-assisted synthesis of silica nanoparticles and their applications in a soy plant culture
Authors: Freitas Daniel Carneiro , Mazali Italo Odone , Sigoli Fernando Aparecido , da Silva Francischini Danielle , Arruda Marco Aurélio Zezzi
Published: September 2023

A rapid and environmentally friendly synthesis of thermodynamically stable silica nanoparticles (SiO2-NPs) from heating via microwave irradiation (MW) compared to conductive heating is presented, as well as their evaluations in a soy plant culture.
Microwave-assisted commercial copper-catalyzed aerobic oxidative synthesis of AChE quinazolinone inhibitors under solvent free conditions
Authors: Jongcharoenkamol Jira , Naksing Prakansi , Nimnuan Nattayaporn , Singh Thishana , Chatwichien Jaruwan , Temkitthawon Prapapan , Sriwattanawarunyoo Chanitsara , Choommongkol Vachira , Meepowpan Puttinan , Kerdphon Sutthichat
Published: September 2023

A facile and green one-pot synthesis of AChE quinazolinone inhibitors was developed using microwave irradiation under solvent free conditions.
Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold
Authors: Bui Soi , Gil-Guerrero Sara , van der Linden Peter , Carpentier Philippe , Ceccarelli Matteo , Jambrina Pablo G. , Steiner Roberto A.
Published: September 2023

We report how the common α/β-hydrolase architecture and its simple catalytic machinery have been adapted to accomplish spin-restricted metal-independent oxygenation.
Metal-coding assisted serological multi-omics profiling deciphers the role of selenium in COVID-19 immunity
Authors: Zhou Ying , Yuan Shuofeng , Xiao Fan , Li Hongyan , Ye Ziwei , Cheng Tianfan , Luo Cuiting , Tang Kaiming , Cai Jianpiao , Situ Jianwen , Sridhar Siddharth , Chu Wing-Ming , Tam Anthony Raymond , Chu Hin , Che Chi-Ming , Jin Lijian , Hung Ivan Fan-Ngai , Lu Liwei , Chan Jasper Fuk-Woo , Sun Hongzhe
Published: September 2023

Uncovering how host metal(loid)s mediate the immune response against invading pathogens is critical for better understanding the pathogenesis mechanism of infectious disease.
Electrolyte designs for safer lithium-ion and lithium-metal batteries
Authors: Lim J. J. Nicholas , Lim Gwendolyn J. H. , Cai Yi , Chua Rodney , Guo Yuqi , Yan Yao , Srinivasan Madhavi
Published: September 2023

This review summarizes the safety challenges in LIBs and LMBs and outlines the recent safety advances in electrolytes for safer batteries. These novel approaches were further evaluated critically to determine their effectiveness for safer batteries.
Direct observations of electrochemically induced intergranular cracking in polycrystalline NMC811 particles
Authors: Parks Huw C. W. , Boyce Adam M. , Wade Aaron , Heenan Thomas M. M. , Tan Chun , Martínez-Pañeda Emilio , Shearing Paul R. , Brett Dan J. L. , Jervis Rhodri
Published: September 2023

Establishing the nature of crack generation, formation, and propagation is paramount to understanding the degradation modes that govern decline in battery performance.
Composite polymer electrolytes incorporating two-dimensional metal–organic frameworks for ultralong cycling in solid-state lithium batteries
Authors: Jiang Han , Du Yongqian , Liu Xuanyu , Kong Jiangrong , Huang Meiqi , Liu Peng , Zhou Tao
Published: September 2023

Solid polymer electrolytes (SPEs) present substantial potential for use in solid-state lithium batteries; however, their authentic usability is presently curbed by their inadequate ionic conductivity and restricted lithium-ion mobility.
Thiophene-sulfur doping in nitrogen-rich porous carbon enabling high-ICE/rate anode materials for potassium-ion storage
Authors: Qiu Chuang , Kumar Anuj , Qiu Daping , Tabish Mohammad , Zhang Jiapeng , Jiang Zhijie , Li Ang , Yasin Ghulam , Chen Xiaohong , Song Huaihe
Published: September 2023

Sulfur doping in carbon materials is generally considered to enhance initial coulombic efficiency, potassium storage capacity and reaction kinetics.
NIR shielding performance and spectral selectivity of PVB interlayer films loaded with composite fillers derived from CsWO3 coupled with Au nanorods
Authors: Piwnuan Chanakarn , Wootthikanokkhan Jatuphorn , Muangphat Chivarat
Published: September 2023

A novel type of NIR shielding composite material (AuNR@CsWO3) was prepared via seed-mediated growth and solvothermal processes. PVB interlayer films loaded with composite fillers exhibit outstanding optical and heat insulation properties.
A SERS sensor based on 3D nanocone forests capable of intelligent classification of aquatic product dyes
Authors: Zhao Yaqian , Huang Ruoyang , Li Xin , Mao Xuanjiao , Xu Shaohang , Zhou Na , Li Shaojuan , Mao Haiyang , Huang Chengjun
Published: September 2023

A 3D Ag-AuNPs@NCF-based SERS sensor was prepared and combined with CNN to achieve intelligent classification of various dye spectra.
A narrow-bandgap non-fullerene acceptor constructed with an S,N-heteroacene up to a dodecamer in size
Authors: Guo Jiaxin , Jia Xinyuan , Cao Xiangjian , He Tengfei , Liang Huazhe , Shi Wendi , Xu Zheng , Wang Ruohan , Guo Yaxiao , Yao Zhaoyang , Wan Xiangjian , Long Guankui , Li Chenxi , Chen Yongsheng
Published: September 2023

Two exotic non-fullerene acceptors (JX1 and JX2) were effectively developed. The better performance of JX2 with its dodecameric S,N-heteroacene can provide a promising molecular platform for achieving efficient OSCs with near-infrared-II absorption.
Structure, defects, and optical properties of commensurate GaN/ZnGeN2/GaN double heterojunctions
Authors: Tellekamp M. Brooks , Miller M. K. , Zhou Lin , Tamboli Adele
Published: September 2023

GaN/ZnGeN2/GaN double heterojunctions were grown by molecular beam epitaxy; we demonstrate coherent interfaces between ZnGeN2 and GaN and highlight defects and associated properties of interest with respect to optoelectronic applications.
Layer-by-layer blade-coated organic solar cells with non-halogenated solvents and non-halogenated additive via adjusting morphology and crystallization
Authors: Li Youzhan , Wu Jiang , Yi Xueting , Liu Zekun , Liu He , Fu Yingying , Liu Jian , Xie Zhiyuan
Published: September 2023

Non-halogenated solvent additive DMN induces nucleation and crystal growth of Y6 molecules twice during the LBL blade-coating process, promoting the crystallization and nanoscale phase separation and leading to enhanced PCE of LBL blade-coated OSCs.
High-performance UV-Vis-NIR photomultiplier detectors assisted by interfacial trapped-electrons
Authors: Li Xiaolong , Tang Yulu , Wang Chenyu , Wei Tianzhu , Lv Dongjun , Guo Mingyuan , Ma Yongning , Yang Yuhao
Published: September 2023

A photomultiplication-type YZ-PD with excellent photodetection performance in the UV–Vis–NIR region was successfully constructed using a bulk heterojunction strategy.
Microplastic emerging pollutants – impact on microbiological diversity, diarrhea, antibiotic resistance, and bioremediation
Authors: Uthra Karupanagounder Thangaraj , Chitra Vellapandian , Damodharan Narayanasamy , Devadoss Anitha , Kuehnel Moritz , Exposito Antonio Jose , Nagarajan Sanjay , Pitchaimuthu Sudhagar , Pazhani Gururaja Perumal
Published: September 2023

Advanced economic development and technologies cause worldwide plastic waste to increase many folds, leaving policymakers with the dilemma of managing it.
Insights into the function of cytoglobin
Authors: Reeder Brandon J.
Published: September 2023

Since its discovery in 2001, the function of cytoglobin has remained elusive. Through extensive in vitro and in vivo research, a range of potential physiological and pathological mechanisms has emerged for this multifunctional member of the hemoglobin family. Currently, over 200 research publications have examined different aspects of cytoglobin structure, redox chemistry and potential roles in cell signalling pathways. This research is wide ranging, but common themes have emerged throughout the research. This review examines the current structural, biochemical and in vivo knowledge of cytoglobin published over the past two decades. Radical scavenging, nitric oxide homeostasis, lipid binding and oxidation and the role of an intramolecular disulfide bond on the redox chemistry are examined, together with aspects and roles for Cygb in cancer progression and liver fibrosis.
Objective and Subjective Clustering Methods for Verb Fluency Responses From Individuals With Alzheimer's Dementia and Cognitively Healthy Older Adults
Authors: Fisher Madison N. , Casenhiser Devin M. , Paek Eun Jin
Published: September 2023

Purpose:

The verb fluency task has been researched using a variety of analysis methods and shown its sensitivity to declines in executive functioning and lexical retrieval abilities in various neurogenic populations. Few studies to date, however, have analyzed clusters and switches in the task, and there is a lack of robust analysis methods that preclude subjectivity and potential rater bias. The purpose of this study was to investigate the reliability when using subjective clustering methods and to determine the feasibility of using an objective clustering method to determine verb fluency performance in individuals with Alzheimer's dementia (IwDs) and cognitively healthy older adults (CHOAs).

Method:

Responses from a verb fluency task were obtained from IwDs and CHOAs. Group differences were examined using an objective clustering method for multiple variables regarding clustering and switching. We also calculated the intrarater, interrater, and intermethod reliability using intraclass coefficients.

Results:

Significant group differences were found when utilizing the objective clustering method in all variables except the average cluster size, with IwDs performing poorer than CHOAs. Intrarater reliability was excellent. Interrater reliability between two authors and intermethod reliability between the objective and subjective methods were variable ranging from moderate to good.

Conclusions:

The results from using the objective clustering method in this study are consistent with the previous literature, making it a viable option for clustering analyses on the verb fluency task, which naturally minimizes subjectivity and rater bias. Alternatively, employing a thoroughly validated and reliable subjective approach can also mitigate potential rater bias and improve replicability across studies.

Supplemental Material:

https://doi.org/10.23641/asha.24061017