bluuebunny/crossref_metadata_2025 huggingface dataset:
Diurnal Cycle of Rapid Air Temperature Fluctuations at Jezero Crater: Probability Distributions, Exponential Tails, Scaling, and Intermittency
Authors: de la Torre Juárez M. , Chavez A. , Tamppari L. K. , Munguira A. , Martínez G. , Hueso R. , Chide B. , Murdoch N. , Stott A. E. , Navarro S. , Sánchez‐Lavega A. , Orton G. S. , Viúdez‐Moreiras D. , Banfield D. J. , Rodríguez‐Manfredi J. A.
Published: June 2023

We study the diurnal cycle of rapid thermal fluctuations observed by the Mars Environmental Dynamics Analyzer, onboard the Perseverance rover at Jezero Crater, as a function of local time and season. In this context, rapid refers to periods between 15 min and half a second. Some insight is also provided into wind fluctuations that are the base for most of the existing theories on turbulent flows. The results expand the observations from previous Mars missions, namely Viking, Mars Pathfinder, and Phoenix, and they add to our knowledge of near‐surface fluctuations on Mars. (a) Probability distribution functions of the fluctuations are determined and found to have exponential tails. This means that models that represent the interaction within the environment and with the surface as a stochastic forcing need to account for the sudden events responsible for the exponential tails. (b) Power density spectra are calculated and show several dynamical regimes with different slopes associated to forcing, an intermediate regime, and a higher frequency regime. All change with time of the day. The results imply that the fastest regime is not a universal scenario for the temperature fluctuations near the surface. (c) The scale dependence of the fluctuations confirms the existence of intermittent outbursts associated to the slower fluctuations, possibly associated to the larger scale structures, and explains why the spectral density slopes do not follow Kolmogorov's law. Understanding the role of larger scale structures would help refine scaling theories of the near‐surface Martian atmosphere and its interactions with the surface.
Spacecraft to Swing Past Mercury for Third Time
Authors: Cartier Kimberly
Published: June 2023

With each flyby, the BepiColombo mission gets another boost of energy for its eventual orbital insertion around Mercury.
Mid-infrared chemical imaging of intracellular tau fibrils using fluorescence-guided computational photothermal microscopy
Authors: Zhao Jian , Jiang Lulu , Matlock Alex , Xu Yihong , Zhu Jiabei , Zhu Hongbo , Tian Lei , Wolozin Benjamin , Cheng Ji-Xin
Published: June 2023

Amyloid proteins are associated with a broad spectrum of neurodegenerative diseases. However, it remains a grand challenge to extract molecular structure information from intracellular amyloid proteins in their native cellular environment. To address this challenge, we developed a computational chemical microscope integrating 3D mid-infrared photothermal imaging with fluorescence imaging, termed Fluorescence-guided Bond-Selective Intensity Diffraction Tomography (FBS-IDT). Based on a low-cost and simple optical design, FBS-IDT enables chemical-specific volumetric imaging and 3D site-specific mid-IR fingerprint spectroscopic analysis of tau fibrils, an important type of amyloid protein aggregates, in their intracellular environment. Label-free volumetric chemical imaging of human cells with/without seeded tau fibrils is demonstrated to show the potential correlation between lipid accumulation and tau aggregate formation. Depth-resolved mid-infrared fingerprint spectroscopy is performed to reveal the protein secondary structure of the intracellular tau fibrils. 3D visualization of the β-sheet for tau fibril structure is achieved.
Peroxisome proliferator-activated receptor-α activation facilitates contextual fear extinction and modulates intrinsic excitability of dentate gyrus neurons
Authors: Xiang Guo , Liu Xia , Wang Jiangong , Lu Shunshun , Yu Meng , Zhang Yuhan , Sun Bin , Huang Bin , Lu Xin-Yun , Li Xingang , Zhang Di
Published: June 2023

The dentate gyrus (DG) of the hippocampus encodes contextual information associated with fear, and cell activity in the DG is required for acquisition and extinction of contextual fear. However, the underlying molecular mechanisms are not fully understood. Here we show that mice deficient for peroxisome proliferator-activated receptor-α (PPARα) exhibited a slower rate of contextual fear extinction. Furthermore, selective deletion of PPARα in the DG attenuated, while activation of PPARα in the DG by local infusion of aspirin facilitated extinction of contextual fear. The intrinsic excitability of DG granule neurons was reduced by PPARα deficiency but increased by activation of PPARα with aspirin. Using RNA-Seq transcriptome we found that the transcription level of neuropeptide S receptor 1 (Npsr1) was tightly correlated with PPARα activation. Our results provide evidence that PPARα plays an important role in regulating DG neuronal excitability and contextual fear extinction.
Human orbitofrontal cortex signals decision outcomes to sensory cortex during behavioral adaptations
Authors: Wang Bin A. , Veismann Maike , Banerjee Abhishek , Pleger Burkhard
Published: June 2023

The ability to respond flexibly to an ever-changing environment relies on the orbitofrontal cortex (OFC). However, how the OFC associates sensory information with predicted outcomes to enable flexible sensory learning in humans remains elusive. Here, we combine a probabilistic tactile reversal learning task with functional magnetic resonance imaging (fMRI) to investigate how lateral OFC (lOFC) interacts with the primary somatosensory cortex (S1) to guide flexible tactile learning in humans. fMRI results reveal that lOFC and S1 exhibit distinct task-dependent engagement: while the lOFC responds transiently to unexpected outcomes immediately following reversals, S1 is persistently engaged during re-learning. Unlike the contralateral stimulus-selective S1, activity in ipsilateral S1 mirrors the outcomes of behavior during re-learning, closely related to top-down signals from lOFC. These findings suggest that lOFC contributes to teaching signals to dynamically update representations in sensory areas, which implement computations critical for adaptive behavior.
grandR: a comprehensive package for nucleotide conversion RNA-seq data analysis
Authors: Rummel Teresa , Sakellaridi Lygeri , Erhard Florian
Published: June 2023

Metabolic labeling of RNA is a powerful technique for studying the temporal dynamics of gene expression. Nucleotide conversion approaches greatly facilitate the generation of data but introduce challenges for their analysis. Here we present grandR, a comprehensive package for quality control, differential gene expression analysis, kinetic modeling, and visualization of such data. We compare several existing methods for inference of RNA synthesis rates and half-lives using progressive labeling time courses. We demonstrate the need for recalibration of effective labeling times and introduce a Bayesian approach to study the temporal dynamics of RNA using snapshot experiments.
Genome-wide association studies identify OsWRKY53 as a key regulator of salt tolerance in rice
Authors: Yu Jun , Zhu Chengsong , Xuan Wei , An Hongzhou , Tian Yunlu , Wang Baoxiang , Chi Wenchao , Chen Gaoming , Ge Yuwei , Li Jin , Dai Zhaoyang , Liu Yan , Sun Zhiguang , Xu Dayong , Wang Chunming , Wan Jianmin
Published: June 2023

Salinity stress progressively reduces plant growth and productivity, while plant has developed complex signaling pathways to confront salt stress. However, only a few genetic variants have been identified to mediate salt tolerance in the major crop rice, and the molecular mechanism remains poorly understood. Here, we identify ten candidate genes associated with salt-tolerance (ST) traits by performing a genome-wide association analysis in rice landraces. We characterize two ST-related genes, encoding transcriptional factor OsWRKY53 and Mitogen-activated protein Kinase Kinase OsMKK10.2, that mediate root Na+ flux and Na+ homeostasis. We further find that OsWRKY53 acts as a negative modulator regulating expression of OsMKK10.2 in promoting ion homeostasis. Furthermore, OsWRKY53 trans-represses OsHKT1;5 (high-affinity K+transporter 1;5), encoding a sodium transport protein in roots. We show that the OsWRKY53-OsMKK10.2 and OsWRKY53-OsHKT1;5 module coordinate defenses against ionic stress. The results shed light on the regulatory mechanisms underlying plant salt tolerance.
Kv7/KCNQ potassium channels in cortical hyperexcitability and juvenile seizure-related death in Ank2-mutant mice
Authors: Oh Hyoseon , Lee Suho , Oh Yusang , Kim Seongbin , Kim Young Seo , Yang Yeji , Choi Woochul , Yoo Ye-Eun , Cho Heejin , Lee Seungjoon , Yang Esther , Koh Wuhyun , Won Woojin , Kim Ryunhee , Lee C. Justin , Kim Hyun , Kang Hyojin , Kim Jin Young , Ku Taeyun , Paik Se-Bum , Kim Eunjoon
Published: June 2023

Autism spectrum disorders (ASD) represent neurodevelopmental disorders characterized by social deficits, repetitive behaviors, and various comorbidities, including epilepsy. ANK2, which encodes a neuronal scaffolding protein, is frequently mutated in ASD, but its in vivo functions and disease-related mechanisms are largely unknown. Here, we report that mice with Ank2 knockout restricted to cortical and hippocampal excitatory neurons (Ank2-cKO mice) show ASD-related behavioral abnormalities and juvenile seizure-related death. Ank2-cKO cortical neurons show abnormally increased excitability and firing rate. These changes accompanied decreases in the total level and function of the Kv7.2/KCNQ2 and Kv7.3/KCNQ3 potassium channels and the density of these channels in the enlengthened axon initial segment. Importantly, the Kv7 agonist, retigabine, rescued neuronal excitability, juvenile seizure-related death, and hyperactivity in Ank2-cKO mice. These results suggest that Ank2 regulates neuronal excitability by regulating the length of and Kv7 density in the AIS and that Kv7 channelopathy is involved in Ank2-related brain dysfunctions.
Dynamic active-site induced by host-guest interactions boost the Fenton-like reaction for organic wastewater treatment
Authors: Zhang Dongpeng , Li Yanxiao , Wang Pengfei , Qu Jinyong , Li Yi , Zhan Sihui
Published: June 2023

In heterogeneous catalysis, uncovering the dynamic evolution of active sites in the working conditions is crucial to realizing increased activity and enhanced stability of catalyst in Fenton-like activation. Herein, we capture the dynamic changes in the unit cell of Co/La-SrTiO3catalyst during the exemplary peroxymonosulfate activation process using X-ray absorption spectroscopy and in situ Raman spectroscopy, revealing the substrate tuned its structural evolution, which is the reversible stretching vibration of O-Sr-O and Co/Ti-O bonds in different orientations. This process effectively promotes the generation of key SO5* intermediates, which is beneficial to the formation of1O2and SO4•−from persulfate on the Co active site. Density functional theory and X-ray absorption spectroscopy show that the optimized structural distortion enhanced the metal-oxygen bond strength by tuning theegorbitals and increased the number of transferred electrons to peroxymonosulfate by about 3-fold, achieving excellent efficiency and stability in removing organic pollutants.
Atomic motifs govern the decoration of grain boundaries by interstitial solutes
Authors: Zhou Xuyang , Ahmadian Ali , Gault Baptiste , Ophus Colin , Liebscher Christian H. , Dehm Gerhard , Raabe Dierk
Published: June 2023

Grain boundaries, the two-dimensional defects between differently oriented crystals, tend to preferentially attract solutes for segregation. Solute segregation has a significant effect on the mechanical and transport properties of materials. At the atomic level, however, the interplay of structure and composition of grain boundaries remains elusive, especially with respect to light interstitial solutes like B and C. Here, we use Fe alloyed with B and C to exploit the strong interdependence of interface structure and chemistry via charge-density imaging and atom probe tomography methods. Direct imaging and quantifying of light interstitial solutes at grain boundaries provide insight into decoration tendencies governed by atomic motifs. We find that even a change in the inclination of the grain boundary plane with identical misorientation impacts grain boundary composition and atomic arrangement. Thus, it is the smallest structural hierarchical level, the atomic motifs, that controls the most important chemical properties of the grain boundaries. This insight not only closes a missing link between the structure and chemical composition of such defects but also enables the targeted design and passivation of the chemical state of grain boundaries to free them from their role as entry gates for corrosion, hydrogen embrittlement, or mechanical failure.
Combinatorial encoding of odors in the mosquito antennal lobe
Authors: Singh Pranjul , Goyal Shefali , Gupta Smith , Garg Sanket , Tiwari Abhinav , Rajput Varad , Bates Alexander Shakeel , Gupta Arjit Kant , Gupta Nitin
Published: June 2023

Among the cues that a mosquito uses to find a host for blood-feeding, the smell of the host plays an important role. Previous studies have shown that host odors contain hundreds of chemical odorants, which are detected by different receptors on the peripheral sensory organs of mosquitoes. But how individual odorants are encoded by downstream neurons in the mosquito brain is not known. We developed an in vivo preparation for patch-clamp electrophysiology to record from projection neurons and local neurons in the antennal lobe of Aedes aegypti. Combining intracellular recordings with dye-fills, morphological reconstructions, and immunohistochemistry, we identify different sub-classes of antennal lobe neurons and their putative interactions. Our recordings show that an odorant can activate multiple neurons innervating different glomeruli, and that the stimulus identity and its behavioral preference are represented in the population activity of the projection neurons. Our results provide a detailed description of the second-order olfactory neurons in the central nervous system of mosquitoes and lay a foundation for understanding the neural basis of their olfactory behaviors.
Bacteria evolve macroscopic multicellularity by the genetic assimilation of phenotypically plastic cell clustering
Authors: Chavhan Yashraj , Dey Sutirth , Lind Peter A.
Published: June 2023

The evolutionary transition from unicellularity to multicellularity was a key innovation in the history of life. Experimental evolution is an important tool to study the formation of undifferentiated cellular clusters, the likely first step of this transition. Although multicellularity first evolved in bacteria, previous experimental evolution research has primarily used eukaryotes. Moreover, it focuses on mutationally driven (and not environmentally induced) phenotypes. Here we show that both Gram-negative and Gram-positive bacteria exhibit phenotypically plastic (i.e., environmentally induced) cell clustering. Under high salinity, they form elongated clusters of ~ 2 cm. However, under habitual salinity, the clusters disintegrate and grow planktonically. We used experimental evolution withEscherichia colito show that such clustering can be assimilated genetically: the evolved bacteria inherently grow as macroscopic multicellular clusters, even without environmental induction. Highly parallel mutations in genes linked to cell wall assembly formed the genomic basis of assimilated multicellularity. While the wildtype also showed cell shape plasticity across high versus low salinity, it was either assimilated or reversed after evolution. Interestingly, a single mutation could genetically assimilate multicellularity by modulating plasticity at multiple levels of organization. Taken together, we show that phenotypic plasticity can prime bacteria for evolving undifferentiated macroscopic multicellularity.
Transition of antimicrobial resistome in wastewater treatment plants: impact of process configuration, geographical location and season
Authors: Honda Ryo , Matsuura Norihisa , Sorn Sovannlaksmy , Asakura Sawako , Morinaga Yuta , Van Huy Than , Sabar Muhammad Adnan , Masakke Yalkhin , Hara-Yamamura Hiroe , Watanabe Toru
Published: June 2023

Antimicrobial resistome in wastewater treatment plants was investigated via shotgun metagenomic analysis over a variety of geographical locations, seasons, and biological treatment configurations. The results revealed that the transition of the antimicrobial resistome occurred at two locations during wastewater treatment, which resulted in a distinctive antimicrobial resistome in influent wastewater, activated sludge, and treated effluent. The antimicrobial resistome in influent wastewater was characterized by a high abundance of antibiotic resistance genes (ARGs) on clinically important drugs, whereas sludge retained a higher abundance of multidrug ARGs associated with efflux pump. Seasonality was the primary factor affecting antimicrobial resistome in influent wastewater, which partially succeeded to the subsequent resistome of activated sludge and treated effluent. Importantly, some ARGs on clinically important drugs in influent wastewater passed through the biological treatment to be discharged in the treated effluent, except in the membrane bioreactor process.
Transition patterns of metabolic dysfunction-associated fatty liver disease status in relation to arterial stiffness progression: a health check-up cohort study
Authors: Liu Lei , Wang Changfa , Deng Shuwen , Yuan Ting , Zhu Xiaoling , Deng Yuling , Qin Yuexiang , Wang Yaqin , Yang Pingting
Published: June 2023

Metabolic dysfunction-associated fatty liver disease (MAFLD) is a new diagnostic criterion based on hepatic steatosis and metabolic dysfunction. However, a comprehensive evaluation of the association of MAFLD dynamic transitions with arterial stiffness progression has yet to be conducted. This cohort study included 8807 Chinese health check-up participants (median follow-up = 50.2 months). Participants were categorized into four groups according to MAFLD status at baseline and follow-up (none, persistent, developed and regressed). Arterial stiffness progression was assessed by the annual brachial-ankle pulse wave velocity (ba-PWV) increase and arterial stiffness incidence. Compared with the non-MAFLD group, the annual increase in ba-PWV was highest in the persistent-MAFLD group [6.75 cm/s/year, (95% CI 4.03–9.33)], followed by the developed—[6.35 cm/s/year, (95% CI 3.80–8.91)] and the regressed—[1.27 cm/s/year, (95% CI − 2.18 to 4.72)] MAFLD groups. Similarly, compared with the non-MAFLD group, the persistent-MAFLD group had a 1.31-fold increased arterial stiffness risk [OR 1.31; 95% CI 1.03–1.66]. The associations of MAFLD transition patterns with arterial stiffness incidence did not differ across any clinically specific subgroups evaluated. Furthermore, the potential effect of dynamic changes in cardiometabolic risk factors on arterial stiffness incidence among persistent-MAFLD participants was mostly driven by annual fasting glucose and triglyceride increases. In conclusion, persistent MAFLD was associated with an increased risk of arterial stiffness development. Moreover, in persistent-MAFLD subjects, elevated blood glucose and triglyceride levels might facilitate the arterial stiffness incidence.
Key epidemiological indicators and spatial autocorrelation patterns across five waves of COVID-19 in Catalonia
Authors: Belvis Francesc , Aleta Alberto , Padilla-Pozo Álvaro , Pericàs Juan-M. , Fernández-Gracia Juan , Rodríguez Jorge P. , Eguíluz Víctor M. , De Santana Charles Novaes , Julià Mireia , Benach Joan ,   the COVID-SHINE group, Benach Núria , Cash-Gibson Lucinda , Delclós Carles , Gutiérrez-Zamora Mariana , Martínez-Herrera Eliana , Palmer John , Rojas-Gualdrón Diego-F.
Published: June 2023

This research studies the evolution of COVID-19 crude incident rates, effective reproduction number R(t) and their relationship with incidence spatial autocorrelation patterns in the 19 months following the disease outbreak in Catalonia (Spain). A cross-sectional ecological panel design based on n = 371 health-care geographical units is used. Five general outbreaks are described, systematically preceded by generalized values of R(t) > 1 in the two previous weeks. No clear regularities concerning possible initial focus appear when comparing waves. As for autocorrelation, we identify a wave’s baseline pattern in which global Moran’s I increases rapidly in the first weeks of the outbreak to descend later. However, some waves significantly depart from the baseline. In the simulations, both baseline pattern and departures can be reproduced when measures aimed at reducing mobility and virus transmissibility are introduced. Spatial autocorrelation is inherently contingent on the outbreak phase and is also substantially modified by external interventions affecting human behavior.
Seasonal estimation of groundwater vulnerability
Authors: Cervantes-Servin Adrian I. , Arora Meenakshi , Peterson Tim J. , Pettigrove Vincent
Published: June 2023

Index-based methods estimate a fixed value of groundwater vulnerability (GWV); however, the effects of time variations on this estimation have not been comprehensively studied. It is imperative to estimate a time-variant vulnerability that accounts for climatic changes. In this study, we used a Pesticide DRASTICL method separating hydrogeological factors into dynamic and static groups followed by correspondence analysis. The dynamic group is composed of depth and recharge, and the static group is composed of aquifer media, soil media, topography slope, impact of vadose zone, aquifer conductivity and land use. The model results were 42.25–179.89, 33.93–159.81, 34.08–168.74, and 45.56–205.20 for spring, summer, autumn, and winter, respectively. The results showed a moderate correlation between the model predictions and observed nitrogen concentrations with R2 = 0.568 and a high correlation for phosphorus concentrations with R2 = 0.706. Our results suggest that the time-variant GWV model provides a robust yet flexible method for investigating seasonal changes in GWV. This model is an improvement to the standard index-based methods, making them sensitive to climatic changes and portraying a true vulnerability estimation. Finally, the correction of the rating scale value fixes the problem of overestimation in standard models.
Urinary titin N-fragment as a predictor of decreased skeletal muscle mass in patients with interstitial lung diseases
Authors: Hanada Masatoshi , Ishimatsu Yuji , Sakamoto Noriho , Akiyama Yoshiko , Kido Takashi , Ishimoto Hiroshi , Oikawa Masato , Nagura Hiroki , Takeuchi Rina , Sato Shuntaro , Takahata Hideaki , Mukae Hiroshi , Kozu Ryo
Published: June 2023

This study aimed to examine the validity of urinary N-terminal titin fragment/creatinine (urinary N-titin/Cr) reflecting muscle damage biomarker in patients with interstitial lung disease. This retrospective study enrolled patients with interstitial lung disease. We measured urinary N-titin/Cr. Furthermore, we measured the cross-sectional areas of the pectoralis muscles above the aortic arch (PMCSA) and erector spinae muscles of the 12th thoracic vertebra muscles (ESMCSA) to assess muscle mass until 1 year. We examined the correlation between urinary N-titin/Cr and the change in muscle mass. We plotted receiver operating characteristic curves to estimate the cut-off points for urinary N-titin/Cr for distinguishing the greater-than-median and smaller-than-median reduction of muscle mass after 1 year. We enrolled 68 patients with interstitial lung disease. The median urinary N-titin/Cr value was 7.0 pmol/mg/dL. We observed significant negative correlations between urinary N-titin/Cr and changes in the PMCSA after 1 year (p < 0.001) and changes in the ESMCSA after 6 months (p < 0.001) and 1 year (p < 0.001). The cut-off points for urinary N-titin/Cr were 5.2 pmol/mg/dL and 10.4 pmol/mg/dL in the PMCSA and ESMCSA, respectively. In summary, urinary N-titin/Cr may predict muscle loss in the long-term and act as a clinically useful biomarker reflecting muscle damage.
Embryonic abnormalities and genotoxicity induced by 2,4-dichlorophenoxyacetic acid during indirect somatic embryogenesis in Coffea
Authors: de Morais Oliveira João Paulo , Silva Alex Junior da , Catrinck Mariana Neves , Clarindo Wellington Ronildo
Published: June 2023

Indirect somatic embryogenesis (ISE) is a morphogenetic pathway in which somatic cells form callus and, later, somatic embryos (SE). 2,4-dichlorophenoxyacetic acid (2,4-D) is a synthetic auxin that promotes the proliferation and dedifferentiation of somatic cells, inducing the ISE. However, 2,4-D can cause genetic, epigenetic, physiological and morphological disorders, preventing the regeneration and/or resulting abnormal somatic embryos (ASE). We aimed to evaluate the toxic 2,4-D effect during the Coffea arabica and C. canephora ISE, assessing the SE morphology, global 5-methylcytosine levels (5-mC%) and DNA damage. Leaf explants were inoculated in media with different 2,4-D concentrations. After 90 days, the friable calli were transferred to the regeneration medium, and the number of normal and abnormal SE was monthly counted. The increase of the 2,4-D concentration increased the number of responsive explants in both Coffea. At 9.06, 18.08 and 36.24 μM 2,4-D, C. arabica presented the highest values of responsive explants, differing from C. canephora. Normal and abnormal SE regeneration increased in relation to the time and 2,4-D concentration. Global 5-mC% varied at different stages of the ISE in both Coffea. Furthermore, the 2,4-D concentration positively correlated with global 5-mC%, and with the mean number of ASE. All ASE of C. arabica and C. canephora exhibited DNA damage and showed higher global 5-mC%. The allotetraploid C. arabica exhibited greater tolerance to the toxic effect of 2,4-D than the diploid C. canephora. We conclude that synthetic 2,4-D auxin promotes genotoxic and phytotoxic disorders and promotes epigenetic changes during Coffea ISE.
Metabolic engineering of Halomonas campaniensis strain XH26 to remove competing pathways to enhance ectoine production
Authors: Shu Zhiwan , Zhang Xin , Wang Rong , Xing Jiangwa , Li Yongzhen , Zhu Derui , Shen Guoping
Published: June 2023

Ectoine has gained considerable attention as a high-value chemical with significant application potential and market demand. This study aimed to increase ectoine yields by blocking the metabolic shunt pathway of l-aspartate-4-semialdehyde, the precursor substrate in ectoine synthesis. The homoserine dehydrogenase encoded by hom in H. campaniensis strain XH26 is responsible for the metabolic shunt of l-aspartate-4-semialdehyde to glycine. CRISPR/Cas9 technology was used to seamlessly knockout hom, blocking the metabolic shunt pathway to increase ectoine yields. The ectoine yield of XH26/Δhom was 351.13 mg (g CDW)−1 after 48 h of incubation in 500 mL shake flasks using optimal medium with 1.5 mol L−1 NaCl, which was significantly higher than the 239.18 mg (g CDW)−1 of the wild-type strain. Additionally, the absence of the ectoine metabolic shunt pathway affects betaine synthesis, and thus the betaine yields of XH26/Δhom was 19.98 mg (g CDW)−1, considerably lower than the 69.58 mg (g CDW)−1 of the wild-type strain. Batch fermentation parameters were optimized, and the wild-type strain and XH26/Δhom were fermented in 3 L fermenters, resulting in a high ectoine yield of 587.09 mg (g CDW)−1 for the defective strain, which was significantly greater than the ectoine yield of 385.03 mg (g CDW)−1 of the wild-type strain. This study showed that blocking the metabolic shunt of synthetic substrates effectively increases ectoine production, and a reduction in the competitively compatible solute betaine appears to promote increased ectoine synthesis.
Global translational control by the transcriptional repressor TrcR in the filamentous cyanobacterium Anabaena sp. PCC 7120
Authors: Wang Zi-Qian , Yang Yiling , Zhang Ju-Yuan , Zeng Xiaoli , Zhang Cheng-Cai
Published: June 2023

Transcriptional and translational regulations are important mechanisms for cell adaptation to environmental conditions. In addition to house-keeping tRNAs, the genome of the filamentous cyanobacterium Anabaena sp. strain PCC 7120 (Anabaena) has a long tRNA operon (trn operon) consisting of 26 genes present on a megaplasmid. The trn operon is repressed under standard culture conditions, but is activated under translational stress in the presence of antibiotics targeting translation. Using the toxic amino acid analog β-N-methylamino-L-alanine (BMAA) as a tool, we isolated and characterized several BMAA-resistance mutants from Anabaena, and identified one gene of unknown function, all0854, named as trcR, encoding a transcription factor belonging to the ribbon-helix-helix (RHH) family. We provide evidence that TrcR represses the expression of the trn operon and is thus the missing link between the trn operon and translational stress response. TrcR represses the expression of several other genes involved in translational control, and is required for maintaining translational fidelity. TrcR, as well as its binding sites, are highly conserved in cyanobacteria, and its functions represent an important mechanism for the coupling of the transcriptional and translational regulations in cyanobacteria.
Ancient medicinal plant rosemary contains a highly efficacious and isoform-selective KCNQ potassium channel opener
Authors: Manville Rían W. , Hogenkamp Derk , Abbott Geoffrey W.
Published: June 2023

Voltage-gated potassium (Kv) channels in the KCNQ subfamily serve essential roles in the nervous system, heart, muscle and epithelia. Different heteromeric KCNQ complexes likely serve distinct functions in the brain but heteromer subtype-specific small molecules for research or therapy are lacking. Rosemary (Salvia rosmarinus) is an evergreen plant used medicinally for millennia for neurological and other disorders. Here, we report that rosemary extract is a highly efficacious opener of heteromeric KCNQ3/5 channels, with weak effects on KCNQ2/3. Using functional screening we find that carnosic acid, a phenolic diterpene from rosemary, is a potent, highly efficacious, PIP2 depletion-resistant KCNQ3 opener with lesser effects on KCNQ5 and none on KCNQ1 or KCNQ2. Carnosic acid is also highly selective for KCNQ3/5 over KCNQ2/3 heteromers. Medicinal chemistry, in silico docking, and mutagenesis reveal that carboxylate-guanidinium ionic bonding with an S4-5 linker arginine underlies the KCNQ3 opening proficiency of carnosic acid, the effects of which on KCNQ3/5 suggest unique therapeutic potential and a molecular basis for ancient neurotherapeutic use of rosemary.
Deconstructing allostery by computational assessment of the binding determinants of allosteric PTP1B modulators
Authors: Hardie Adele , Cossins Benjamin P. , Lovera Silvia , Michel Julien
Published: June 2023

Fragment-based drug discovery is an established methodology for finding hit molecules that can be elaborated into lead compounds. However it is currently challenging to predict whether fragment hits that do not bind to an orthosteric site could be elaborated into allosteric modulators, as in these cases binding does not necessarily translate into a functional effect. We propose a workflow using Markov State Models (MSMs) with steered molecular dynamics (sMD) to assess the allosteric potential of known binders. sMD simulations are employed to sample protein conformational space inaccessible to routine equilibrium MD timescales. Protein conformations sampled by sMD provide starting points for seeded MD simulations, which are combined into MSMs. The methodology is demonstrated on a dataset of protein tyrosine phosphatase 1B ligands. Experimentally confirmed allosteric inhibitors are correctly classified as inhibitors, whereas the deconstructed analogues show reduced inhibitory activity. Analysis of the MSMs provide insights into preferred protein-ligand arrangements that correlate with functional outcomes. The present methodology may find applications for progressing fragments towards lead molecules in FBDD campaigns.
River plastic transport and deposition amplified by extreme flood
Authors: van Emmerik Tim H. M. , Frings Roy M. , Schreyers Louise J. , Hauk Rahel , de Lange Sjoukje I. , Mellink Yvette A. M.
Published: June 2023

Plastic pollution in the world’s rivers and ocean is increasingly threatening ecosystem health and human livelihood. In contrast to what is commonly assumed, most mismanaged plastic waste that enters the environment is not exported into the ocean. Rivers are therefore not only conduits but also reservoirs of plastic pollution. Plastic mobilization, transport and retention dynamics are influenced by hydrological processes and river catchment features (for example, land use, vegetation and river morphology). Increased river discharge has been associated with elevated plastic transport rates, although the exact relation between the two can vary over time and space. However, the precise role of an extreme discharge event on plastic transport is still unknown. Here we show that fluvial floods drive macroplastic (>2.5 cm) transport (items h−1) and accumulation (items m−2) in river systems. We collected unique observational evidence during the July 2021 flood along the whole Dutch part of the Meuse. Plastic transport multiplied by a factor of over 100 compared with non-flood conditions (3.3 × 104versus 2.3 × 102items h−1). Over one-third of the modelled annual plastic item transport was estimated to occur within 6 days of extreme discharge. Between Maastricht and Ravenstein (291 km and 131 km from the river mouth), plastic transport during the flood period decreased by 90%, suggesting that the dispersal of plastic mobilized during the flood is limited due to the entrapment on riverbanks, in vegetation and on the floodplains. Plastic transport and accumulation on the riverbanks decreased significantly along the river, corroborating the river’s function as a plastic reservoir. Using new observational evidence, we demonstrate the crucial role of floods as drivers of plastic transport and accumulation in river systems. Floods amplify the mobilization of plastics, but the effects are local, and the river-scale dispersal is limited. We anticipate that our findings will serve as a starting point for improving global estimates of river plastic transport, retention and export into the sea. Moreover, our results provide essential insights for future large-scale and long-term quantitative assessments of river plastic pollution. Reliable observations and a fundamental understanding of plastic transport are key to designing effective prevention and reduction strategies.
Associations of the inflammatory diet index and smoking status with the risk of chronic obstructive pulmonary disease and lung cancer
Authors: Lin Jing , Yang Rongrong , Zhang Shunming , Li Huiping , Li Shu , Yang Hongxi , Ma Yue , Wang Yaogang
Published: June 2023

It remains unknown whether a low-inflammatory diet could modify the chronic obstructive pulmonary disease (COPD) and lung cancer risk related to smoking.
Development of organic photosensitizers for antimicrobial photodynamic therapy
Authors: Zhou Wenya , Jiang Xiqun , Zhen Xu
Published: June 2023

This review mainly summarises the recent progress in the development of organic photosensitizers, including porphyrins, chlorophyll, phenothiazines, xanthenes and aggregation-induced emission photosensitizers, for antimicrobial photodynamic therapy.
Siderocalin fusion proteins enable a new 86Y/90Y theranostic approach
Authors: Cosby Alexia G. , Arino Trevor , Bailey Tyler A. , Buerger Matthew , Woods Joshua J. , Aguirre Quintana Luis M. , Alvarenga Vasquez Jennifer V. , Wacker Jennifer N. , Gaiser Alyssa N. , Strong Roland K. , Abergel Rebecca J.
Published: June 2023

The mammalian protein siderocalin binds hydroxypyridinone complexes of trivalent rare-earth metals and f-elements through cation-π and electrostatic interactions. It can also be fused with biological vectors for the targeted delivery of imaging and therapeutic radionuclides.
Best Papers from 2022 published in the Environmental Science journals of the Royal Society of Chemistry
Authors: Cai Zongwei , Donahue Neil , Jones Kevin C. , McNeill Kristopher , Manaia Célia , Novak Paige J. , Vikesland Peter J.
Published: June 2023

The Editors-in-Chief of the Environmental Science journals introduce the Best Papers of 2022.
Novel 1,2,4-oxadiazole compounds as PPAR-α ligand agonists: a new strategy for the design of antitumour compounds
Authors: Apaza Ticona Luis , Sánchez Sánchez-Corral Javier , Flores Sepúlveda Alejandro , Soriano Vázquez Carmen , Hernán Vieco Carmen , Rumbero Sánchez Ángel
Published: June 2023

Modulation of PPAR-α by natural ligands is a novel strategy for the development of anticancer therapies.
Bioactive molecules of Triadica sebifera as eco-friendly antifeedants against Plutella xylostella: a pest management approach
Authors: Singh Rahul , Bhardwaj Vijay Kumar , Dolma Shudh Kirti , Kumar Sandeep , Reddy S. G. Eswara , Purohit Rituraj
Published: June 2023

Odorant-binding proteins (OBP) and odorant receptors (OR) have emerged as alternative targets for the development of environment-friendly molecules for pest management.
Nanoscale designing of metal organic framework moieties as efficient tools for environmental decontamination
Authors: Sharma Indu , Kaur Jaspreet , Poonia Gargi , Mehta Surinder Kumar , Kataria Ramesh
Published: June 2023

A schematic representation of various synthetic methodologies for fabrication of MOF nanocomposites and exploration of its potential in decontamination of hazardous environmental pollutants.
Synthesis of oxetane and azetidine ethers as ester isosteres by Brønsted acid catalysed alkylation of alcohols with 3-aryl-oxetanols and 3-aryl-azetidinols
Authors: Saejong Peerawat , Rojas Juan J. , Denis Camille , White Andrew J. P. , Voisin-Chiret Anne Sophie , Choi Chulho , Bull James A.
Published: June 2023

3-Aryloxetan-3-ols and 3-arylazetidin-3-ols can be selectively activated to form carbocations and allow reaction with alcohols to form ethers with the 4-membered heterocycles.
Real time optical monitoring of cascade mechanochemical reactions and capture of ultra-unstable intermediates under hydrostatic pressure
Authors: Su Xing , Li Nan , Wang Kai , Li Qian , Shao Weiguang , Liu Lulu , Yu Binhong , Zhang Yu-Mo , Lin Tingting , Zou Bo , Liu Yifei , Zhang Sean Xiao-An
Published: June 2023

The high pressure induced physical and chemical processes of two spiropyran derivatives are optically monitored with diamond anvil cell techniques, in which emission enhancement and multi-step cascade reactions are disclosed.
Sequence-selective three-component reactions of alkyltrifluoroborates with α,β-unsaturated carbonyl compounds and vinylphosphonium salts
Authors: Yoshida Masaki , Sawamura Masaya , Masuda Yusuke
Published: June 2023

A photocatalytic three-component reaction of alkyltrifluoroborates with two electron-deficient alkenes proceeds in a sequence-selective manner, which can be followed by Wittig olefination to afford γ,δ-unsaturated ketones and esters.
Metal-free electrochemical oxidative intramolecular cyclization ofN-propargylbenzamides: facile access to oxazole ketals
Authors: Zhang Huaxin , Xiong Yongge , Luo Mu-Jia , Yang Ruchun , Bai Jiang , Song Xian-Rong , Xiao Qiang
Published: June 2023

An unprecedented and sustainable electrochemically driven oxidative 5-exo-digradical cyclization ofN-propargylbenzamides with alcohols for the synthesis of structurally diverse oxazole ketals is described.
Temperature-dependent tailoring of the pore structure based on MOF-derived carbon electrodes for electrochemical capacitors
Authors: Wang Yuru , Zhang Qing
Published: June 2023

A linear relation has been demonstrated between 1–10 nm pores and the impedance resistance through controlling the MOF-derived carbon pore structure.
Low hydrogen solubility in clay interlayers limits gas loss in hydrogen geological storage
Authors: Ho Tuan A. , Jove-Colon Carlos F. , Wang Yifeng
Published: June 2023

Low solubility of H2 in water confined in clay interlayers suggests that H2 loss and leakage through hydrated interlayers in subsurface storage, if any, is limited.
Does the presence of lignin affect the pyrolytic decomposition of cellulose? A condensed phase computational investigation
Authors: Padmanathan Arul Mozhi Devan , Vaidya Rahul , Mushrif Samir H.
Published: June 2023

Finite temperature condensed phase effects offer new perspectives on cellulose activation. Barriers decreases mildly, rapidly, and remains constant in pure cellobiose, LCC, and lignin condensed phases, respectively.
A cracked carbon matrix decorated with amorphous IrOx for boosting the oxygen evolution reaction in electrochemical water splitting
Authors: Huynh T. B. Ngoc , Lee Dohyeon , Kim Soo-Kil , Kim Myung Jun , Kwon Oh Joong
Published: June 2023

A carbon matrix with desiccation cracks serves as a porous transport layer for PEMWE, enhancing the electrochemical performance and stability of Ir nanoparticles for the oxygen evolution reaction.
Topological defects stabilized by a soft twist-bend dimer and quantum dots lead to a wide thermal range and ultra-fast electro-optic response in a liquid crystalline amorphous blue phase
Authors: Khatun Nurjahan , Sridurai Vimala , Csorba Katalin F. , Nair Geetha G.
Published: June 2023

Adding an NTB material to BPLC increases the thermal range of BPI. Further doping with QDs leads to the induction of BPIII, with a wide thermal range of 34 °C, spanning ambient and below/above ambient temperatures with enhanced display parameters.
Aortic Valve Replacement with Single-Strip Autologous Pericardium
Authors: Dilawar Ismail , Rachmat Jusuf , Puruhito Ito , Alwi Idrus , Sastroasmoro Sudigdo , Suhendro Suhendro , Liem Isabella Kurnia , Siagian Minarma , Jusuf Ahmad Aulia , Makdinata William , Taslim Imamurahman , Melisa Stefanie
Published: June 2023

Background Aortic valve replacement with mechanical valves is the standard treatment for aortic valve disease in Indonesia. Its usage is associated with high cost, risk of endocarditis and thromboembolic event, and lifetime consumption of anticoagulants. We performed a novel replacement technique of the aortic valve using an autologous pericardium and evaluated the short-term outcomes.

Methods From April 2017 to April 2020, 16 patients underwent aortic valve replacement with a single-strip autologous pericardium. Outcomes of the left ventricular reverse remodeling (LVRR), 6-minute walk test (6MWT), and soluble suppression of tumorigenicity-2 (sST-2) were measured at 6 months postoperation.

Results A total of 16 surgeries were performed using aortic valve replacement with single-strip pericardium without conversion to mechanical valve replacement. The patients included eight males and eight females, and the mean age was 49.63 ± 12.54 years. The most common diagnosis was mixed aortic valve stenosis and regurgitation (9 cases). Five patients underwent a concomitant coronary artery bypass graft (CABG) procedure and 12 patients underwent either mitral or tricuspid valve repair. The mean aortic cross-clamp time was 139.88 ± 23.21 minutes and cardiopulmonary bypass time was 174.37 ± 33.53 minutes. At 6 months postoperation, there was an increase in the distance walked at the 6MWT (p = 0.006) and a decrease of the sST-2 level (p = 0.098). Echocardiogram showed two patients had LVRR. Survival and freedom from reoperation are 100% at 1 year of follow-up.

Conclusion Aortic valve replacement with a single strip of pericardium is a good alternative to aortic valve replacement with a mechanical valve. Short-term evaluation at 6 months postoperation showed improvement in clinical status and echocardiographic parameters compared to baseline.
Homogenization of non-local nonlinear p-Laplacian equation with variable index and periodic structure
Authors: Chen Junlong , Tang Yanbin
Published: June 2023

This paper deals with the homogenization of a one-dimensional nonlinear non-local variable index p(x)-Laplacian operator Lɛ with a periodic structure and convolution kernel. By constructing a scale diffusive model and two corrector functions χ1 and χ2, as scale parameter ɛ → 0+, we first obtain that the limit operator L is a p-Laplacian operator with constant exponent and coefficients such that Lu=Rddx(|u′(x)|p−2u′(x)). Then, for a given function f∈Lq(R)(q=pp−1), we prove the asymptotic behavior of the solution uɛ(x) to the equation (Lɛ − I)uɛ(x) = f(x) such that uε(x)=u(x)+εχ1(xε)u′(x)+ε2χ2(xε)u″(x)+o(1)(ε→0+) in Lp(R), where u(x) is the solution of equation (L − I)u(x) = f(x).
Photothermal strategies for ice accretion prevention and ice removal
Authors: Hao Tongtong , Wang Dan , Chen Xiaoting , Jazzar Abdullatif , Shi Pengju , Li Cunyi , Wang Heran , He Ximin , He Zhiyuan
Published: June 2023

Solar energy-based renewable energy conversion and storage technologies offer a great promise of combating energy shortage and transitioning to a sustainable society. Efficient collection and transformation play decisive roles in optimizing the harvest of solar energy. Photothermal conversion has emerged as the most efficient solar energy conversion technology, particularly, photothermal coatings could convert light into heat and has triggered a surge of interest in ice removal related applications. Here, we present a comprehensive review of popular documented photothermal conversion materials and the mechanisms of photothermal conversion technologies. Additionally, we pay attention to efficient light-trapping structures for outperformed solar-driven photothermal materials. After that, we investigate the mechanisms of the deicing process. Finally, we discuss the progress of photothermal deicing systems and summarize future challenges in improving their performance. This review serves as a reasonable reference for the classification of photothermal materials and the construction of light-trapping structures, providing valuable insight into the design of photothermal materials for anti-icing applications.
Mixed convection instability in a viscosity stratified flow in a vertical channel
Authors: Ankush  , Narayana P. A. L. , Sahu Kirti Chandra
Published: June 2023

The present study examines the linear instability characteristics of double-diffusive mixed convective flow in a vertical channel with viscosity stratification. The viscosity of the fluid is modeled as an exponential function of temperature and concentration, with an activation energy parameter determining its sensitivity to temperature variation. Three scenarios are considered: buoyancy force due to thermal diffusion only, buoyancy force due to temperature and solute acting in the same direction, and buoyancy force due to temperature and solute acting in opposite directions. A generalized eigenvalue problem is derived and solved numerically for the linear stability analysis via the Chebyshev spectral collocation method. The results indicate that higher values of the activation energy parameter lead to an increased flow stability. Additionally, when both buoyant forces act in opposite directions, the Schmidt number has both stabilizing and destabilizing effects across the range of activation energy parameters, similar to the case of pure thermal diffusion. Furthermore, the solutal-buoyancy-opposed base flow is found to be the most stable, while the solutal-buoyancy-assisted base flow is the least stable. As expected, an increase in the Reynolds number is shown to decrease the critical Rayleigh number.