bluuebunny/crossref_metadata_2025 huggingface dataset:
Trait anxiety is associated with hidden state inference during aversive reversal learning
Authors: Zika Ondrej , Wiech Katja , Reinecke Andrea , Browning Michael , Schuck Nicolas W.
Published: July 2023

Updating beliefs in changing environments can be driven by gradually adapting expectations or by relying on inferred hidden states (i.e. contexts), and changes therein. Previous work suggests that increased reliance on context could underly fear relapse phenomena that hinder clinical treatment of anxiety disorders. We test whether trait anxiety variations in a healthy population influence how much individuals rely on hidden-state inference. In a Pavlovian learning task, participants observed cues that predicted an upcoming electrical shock with repeatedly changing probability, and were asked to provide expectancy ratings on every trial. We show that trait anxiety is associated with steeper expectation switches after contingency reversals and reduced oddball learning. Furthermore, trait anxiety is related to better fit of a state inference, compared to a gradual learning, model when contingency changes are large. Our findings support previous work suggesting hidden-state inference as a mechanism behind anxiety-related to fear relapse phenomena.
HypoRiPPAtlas as an Atlas of hypothetical natural products for mass spectrometry database search
Authors: Lee Yi-Yuan , Guler Mustafa , Chigumba Desnor N. , Wang Shen , Mittal Neel , Miller Cameron , Krummenacher Benjamin , Liu Haodong , Cao Liu , Kannan Aditya , Narayan Keshav , Slocum Samuel T. , Roth Bryan L. , Gurevich Alexey , Behsaz Bahar , Kersten Roland D. , Mohimani Hosein
Published: July 2023

Recent analyses of public microbial genomes have found over a million biosynthetic gene clusters, the natural products of the majority of which remain unknown. Additionally, GNPS harbors billions of mass spectra of natural products without known structures and biosynthetic genes. We bridge the gap between large-scale genome mining and mass spectral datasets for natural product discovery by developing HypoRiPPAtlas, an Atlas of hypothetical natural product structures, which is ready-to-use for in silico database search of tandem mass spectra. HypoRiPPAtlas is constructed by mining genomes using seq2ripp, a machine-learning tool for the prediction of ribosomally synthesized and post-translationally modified peptides (RiPPs). In HypoRiPPAtlas, we identify RiPPs in microbes and plants. HypoRiPPAtlas could be extended to other natural product classes in the future by implementing corresponding biosynthetic logic. This study paves the way for large-scale explorations of biosynthetic pathways and chemical structures of microbial and plant RiPP classes.
Depressive symptoms in Parkinson’s disease are insufficiently but more often treated than in other chronic conditions
Authors: Usnich Tatiana , Hauptmann Björn , Hanssen Henrike , Prasuhn Jannik , Balck Alexander , Borsche Max , Tadic Vera , Klee Annika , Noblejas-Sanchez Greta , Vollstedt Eva-Juliane , Klein Christine , Brüggemann Norbert , Kasten Meike ,   EPIPARK Study Group, Graf Julia , Schell Nathalie , Modreanu Raluca , Staemmler Barbara , Loewin Elena
Published: July 2023

Depressive symptoms in Parkinson’s disease (PD) are multifactorial and are partly linked to the underlying dopaminergic deficit. However, at least a subset of PD patients may exhibit an unspecific depressive reaction to chronic illness. Here, we compared the prevalence and severity of depressive symptoms in PD patients and disease controls (DC). PD patients reported depressive symptoms at similar frequencies as DC but were on antidepressants, especially Mirtazapine, more frequently. Still, in both groups, a high proportion of patients with clinically significant depressive symptoms was not receiving medication. Diagnosis and treatment of depressive symptoms both in PD and DC should be improved.
Magnetic susceptibility changes in the brainstem reflect REM sleep without atonia severity in isolated REM sleep behavior disorder
Authors: Nepozitek Jiri , Varga Zsoka , Dostalova Simona , Perinova Pavla , Keller Jiri , Robinson Simon , Ibarburu Veronika , Prihodova Iva , Bezdicek Ondrej , Ruzicka Evzen , Sonka Karel , Dusek Petr
Published: July 2023

REM sleep without atonia (RWA) is the hallmark of isolated REM sleep behavior disorder (iRBD) and is caused by neurodegeneration of brainstem structures. Previously, quantitative susceptibility mapping (QSM) was shown to detect microstructural tissue changes in neurodegenerative diseases. The goal of the study was to compare brainstem magnetic susceptibility (MS) in iRBD and controls using the voxel-based QSM approach and to examine the association between brainstem MS and severity of RWA in iRBD. Sixty iRBD patients and 41 healthy controls were included in the study. Phasic, tonic, mixed RWA and SINBAR score was quantified. QSM maps were reconstructed with QSMbox software from a multi-gradient-echo sequence acquired at 3T MRI system and normalized using a custom T1 template. Voxel-based analysis with age and gender as covariates was performed using a two-sample t-test model for between-group comparison and using a linear regression model for association with the RWA parameters. Statistical maps were generated using threshold free cluster enhancement with p-value p < 0.05, corrected for family wise error. Compared to controls, the iRBD group had higher MS in bilateral substantia nigra (SN), red nucleus and the ventral tegmental area. MS positively correlated with iRBD duration in the right pedunculotegmental nucleus and white matter of caudal mesencephalic and pontine tegmentum and with phasic RWA in bilateral SN. QSM was able to detect MS abnormalities in several brainstem structures in iRBD. Association of MS levels in the brainstem with the intensity of RWA suggests that increased iron content in SN is related to RWA severity.
Analyzing of optimal classifier selection for EEG signals of depression patients based on intelligent fuzzy decision support systems
Authors: Abdullah Saleem , Abosuliman Shougi S.
Published: July 2023

Electroencephalograms (EEG) is used to assess patients' clinical records of depression (EEG). The disorder of human thinking is a very complex problem caused by heavy-duty in daily life. We need some future and optimal classifier selection by using different techniques for depression data extraction using EEG. Intelligent decision support is a decision-making process that is automated based on some input information. The primary goal of this proposed work is to create an artificial intelligence-based fuzzy decision support system (AI-FDSS). Based on the given criteria, the AI-FDSS is considered for classifier selection for EEG under depression information. The proposed intelligent decision technique examines classifier alternatives such as Gaussian mixture models (GMM), k-nearest neighbor algorithm (k-NN), Decision tree (DT), Nave Bayes classification (NBC), and Probabilistic neural network (PNN). For analyzing optimal classifiers selection for EEG in depression patients, the proposed technique is criterion-based. First, we develop a general algorithm for intelligent decision systems based on non-linear Diophantine fuzzy numbers to examine the classifier selection technique using various criteria. We use classifier methods to obtain data from depression patients in normal and abnormal situations based on the given criteria. The proposed technique is criterion-based for analyzing optimal classifier selection for EEG in patients suffering from depression. The proposed model for analyzing classifier selection in EEG is compared to existing models.
Periodic orbits in chaotic systems simulated at low precision
Authors: Klöwer Milan , Coveney Peter V. , Paxton E. Adam , Palmer Tim N.
Published: July 2023

Non-periodic solutions are an essential property of chaotic dynamical systems. Simulations with deterministic finite-precision numbers, however, always yield orbits that are eventually periodic. With 64-bit double-precision floating-point numbers such periodic orbits are typically negligible due to very long periods. The emerging trend to accelerate simulations with low-precision numbers, such as 16-bit half-precision floats, raises questions on the fidelity of such simulations of chaotic systems. Here, we revisit the 1-variable logistic map and the generalised Bernoulli map with various number formats and precisions: floats, posits and logarithmic fixed-point. Simulations are improved with higher precision but stochastic rounding prevents periodic orbits even at low precision. For larger systems the performance gain from low-precision simulations is often reinvested in higher resolution or complexity, increasing the number of variables. In the Lorenz 1996 system, the period lengths of orbits increase exponentially with the number of variables. Moreover, invariant measures are better approximated with an increased number of variables than with increased precision. Extrapolating to large simulations of natural systems, such as million-variable climate models, periodic orbit lengths are far beyond reach of present-day computers. Such orbits are therefore not expected to be problematic compared to high-precision simulations but the deviation of both from the continuum solution remains unclear.
Real-world study to evaluate the efficacy and safety of intravitreal brolucizumab for refractory neovascular age-related macular degeneration
Authors: Yeom Hoseok , Kwon Hye Ji , Kim Yoon Jeon , Lee Junyeop , Yoon Young Hee , Lee Joo Yong
Published: July 2023

This retrospective study evaluated the real-world safety and effectiveness of switching to intravitreal brolucizumab for refractory neovascular age-related macular degeneration (nAMD). A total of 81 patients who received brolucizumab injections as switch therapy were followed for more than 3 months. A good response was defined as better anatomical improvement or extended injection intervals compared with previous anti-vascular endothelial growth factor (VEGF) treatment over a mean follow-up period of 41.4 weeks. Approximately 82.7% of patients showed a good response after switching. After 1 year, patients showed significant visual gains (+ 6.6 letters, p = 0.006) and central retinal thickness reductions (− 112.6 µm, p < 0.001), with 30.8% having injection intervals extended over 12 weeks. In the poor-response group, visual acuity and anatomical outcomes worsened soon after switching. More previous injections, thinner baseline central retina, and the presence of prechoroidal cleft or polypoidal lesion resulted in a better response (p < 0.05). Adverse effects occurred in eight eyes (9.9%), including one retinal vascular occlusion and seven intraocular inflammation cases, which were unrelated to the response. Most patients with nAMD refractory to anti-VEGF treatment demonstrated anatomical improvement or extended injection intervals after switching. This study shows that identified structural biomarkers may predict treatment response and select an appropriate therapeutic strategy.
The mechanisms of calcium-catalyzed graphenization of cellulose and lignin biochars uncovered
Authors: Béguerie Théotime , Weiss-Hortala Elsa , Lyczko Nathalie , Nzihou Ange
Published: July 2023

A recent study has shown that highly crystalline graphene-based materials can be obtained from poorly organized carbon precursors using calcium as a non-conventional catalyst. XRD and TEM analyses of calcium-impregnated cellulose and lignin biochars showed the formation of well-ordered graphenic structures (Lc > 7 nm, d002 < 0.345 nm) above 1200 °C, far below the standard graphenization temperatures (T > 2000 °C). Herein, we propose new insights on the mechanism controlling the formation of highly graphenic biochars using Ca as a catalyst. We postulate that the calcium-catalyzed graphenization occurs through the formation of a metastable calcium carbide by reaction between CaO particles and amorphous carbon between 1000 and 1200 °C. CaC2decomposes into calcium vapor and a graphenic shell covering the CaC2particles as confirmed by TEM analysis. The thickness and planarity of the graphenic shell increase with the CaC2initial particle size (between 20 and 200 nm), and its growth is controlled by the diffusion of the calcium vapor through the graphene layer. A much effective graphenization was obtained for the lignin biochars compared to cellulose, with Lc > 10 nm and d002 < 0.340 nm, attributed to the insertion of sulfur in the graphenic shells, which favors their ruptures and the decomposition of CaC2into graphene. We believe that these findings would enable the reduction of costs and environmental impact of graphene-based materials synthesis using cheap and abundant renewable feedstocks and catalysts as well.
The role of depressive symptoms in the interplay between aging and temporal processing
Authors: Buzi Giulia , Eustache Francis , D’Argembeau Arnaud , Hinault Thomas
Published: July 2023

Temporal processing, the ability to mentally represent and process the dynamical unfolding of events over time, is a fundamental feature of cognition that evolves with advancing age. Aging has indeed been associated with slower and more variable performance in timing tasks. However, the role of depressive symptoms in age-related changes in temporal processing remains to be investigated. Therefore, the present work aims to shed light on the link between temporal processing and depressive symptoms, which are frequent with advancing age. We relied on the multicentric “Blursday Project” database, providing measures of temporal processing together with questionnaires investigating psychological wellbeing. Results reveal that aging influences several timing abilities, from the reproduction of short time intervals to verbal estimations of longer temporal distances. Furthermore, the slowing down of felt passage of time regarding the last few days with age was fully mediated by the intensity of depressive symptoms. Overall, these findings suggest that depressive symptoms may play a pivotal role in age-related temporal processing changes.
Endowing textiles with self-repairing ability through the fabrication of composites with a bacterial biofilm
Authors: Cai Anqi , Abdali Zahra , Saldanha Dalia Jane , Aminzare Masoud , Dorval Courchesne Noémie-Manuelle
Published: July 2023

To address the increasing environmental footprint of the fast-growing textile industry, self-repairing textile composites have been developed to allow torn or damaged textiles to restore their morphological, mechanical, and functional features. A sustainable way to create these textile composites is to introduce a coating material that is biologically derived, biodegradable, and can be produced through scalable processes. Here, we fabricated self-repairing textile composites by integrating the biofilms of Escherichia coli (E. coli) bacteria into conventional knitted textiles. The major structural protein component in E. coli biofilm is a matrix of curli fibers, which has demonstrated extraordinary abilities to self-assemble into mechanically strong macroscopic structures and self-heal upon contact with water. We demonstrated the integration of biofilm through three simple, fast, and scalable methods: adsorption, doctor blading, and vacuum filtration. We confirmed that the composites were breathable and mechanically strong after the integration, with improved Young’s moduli or elongation at break depending on the fabrication method used. Through patching and welding, we showed that after rehydration, the composites made with all three methods effectively healed centimeter-scale defects. Upon observing that the biofilm strongly attached to the textiles by covering the extruding textile fibers from the self-repair failures, we proposed that the strength of the self-repairs relied on both the biofilm’s cohesion and the biofilm-textile adhesion. Considering that curli fibers are genetically-tunable, the fabrication of self-repairing curli-expressing biofilm-textile composites opens new venues for industrially manufacturing affordable, durable, and sustainable functional textiles.
Boesenbergia rotunda displayed anti-inflammatory, antioxidant and anti-apoptotic efficacy in doxorubicin‐induced cardiotoxicity in rats
Authors: Zhang Linye , Jiang Qihong , Wang Xiuming , Jaisi Amit , Olatunji Opeyemi Joshua
Published: July 2023

This study evaluated the cardioprotective properties ofBoesenbergia rotundaextract (BrE) against doxorubicin (DOX) induced cardiotoxicity. Rats received oral gavage of BrE for 28 days and DOX (5 mg/kg/week for 3 weeks). Thereafter the animals were sacrificed, blood and cardiac samples were collected for biochemical, histological and immunohistochemical analyses. The results indicated that BrE attenuated DOX triggered body and cardiac weight loss and prevented against cardiac injury by mitigating histopathological alterations in cardiac tissues as well as serum cardiac function enzymes. BrE significantly reduced serum levels of aspartate transaminase (AST), alkaline phosphatase (ALP), lactate dehydrogenase (LDH), troponin T (TnT) and creatine kinase-MB (CK-MB) in DOX-treated rats. Furthermore, BrE alleviated cardiotoxicity by reducing DOX instigated oxidative stress and potentiating the level of glutathione, as well as the activities superoxide dismutase and catalase in cardiac tissues. In addition, BrE significantly decreased the characteristic indices of DOX-induced cardiac inflammation and apoptosis. Immuno-histochemical analysis revealed that BrE decreased the stain intensity of p53 and myeloperoxidase (MPO) proteins compared to the DXB alone group. In conclusion, our results indicated that BrE modulated oxidative stress, inflammation and apoptosis to attenuate DOX-induced cardiac damage.
Assessing mechanisms of frequency discrimination by comparison of different measures over a wide frequency range
Authors: Moore Brian C. J. , Vinay
Published: July 2023

It has been hypothesized that auditory detection of frequency modulation (FM) for low FM rates depends on the use of both temporal (phase locking) and place cues, depending on the carrier frequency, while detection of FM at high rates depends primarily on the use of place cues. To test this, FM detection for 2 and 20 Hz rates was measured over a wide frequency range, 1–10 kHz, including high frequencies for which temporal cues are assumed to be very weak. Performance was measured over the same frequency range for a task involving detection of changes in the temporal fine structure (TFS) of bandpass filtered complex tones, for which performance is assumed to depend primarily on the use of temporal cues. FM thresholds were better for the 2- than for the 20-Hz rate for center frequencies up to 4 kHz, while the reverse was true for higher center frequencies. For both FM rates, the thresholds, expressed as a proportion of the center frequency, were roughly constant for center frequencies from 6 to 10 Hz, consistent with the use of place cues. For the TFS task, thresholds worsened progressively with increasing frequency above 4 kHz, consistent with the weakening of temporal cues.
A super dust storm enhanced by radiative feedback
Authors: Chen Yu , Chen Siyu , Zhou Jie , Zhao Dan , Bi Hongru , Zhang Yue , Alam Khan , Yu Haipeng , Yang Yaoxian , Chen Junyan
Published: July 2023

As the main dust source area in East Asia, the Gobi Desert (GD) exerts critical impacts on the radiation budget in downstream regions. Dust radiative feedback in the GD on the Mongolian cyclone, however, remains poorly understood. Herein, the dynamic dust source is coupled with the Weather Research and Forecasting model with Chemistry (WRF-Chem) for better dust simulations. Results show that the Mongolian cyclone dominates the dust event in May 2019. Dust radiative feedback results in downward momentum transport and cools northeast of Mongolia by affecting zonal winds and temperature advection. Lower-troposphere cooling and upper-atmosphere warming change the atmospheric vertical structure and enhance baroclinicity. Further, cold air deeply descends into the bottom of the warm air in a wedge shape and promotes the ascension of warm air to enhance the Mongolian cyclone. The strong dust is maintained and continues to cause high dust concentrations in northern China via westerlies. This study explores how dust radiative feedback over the GD can intensify the Mongolian cyclone and provides a scientific reference for related studies.
Pparα knockout in mice increases the Th17 development by facilitating the IKKα/RORγt and IKKα/Foxp3 complexes
Authors: Wei Ping , Kou Wei , Fu Juan , Chen Zuojia , Pan Fan
Published: July 2023

The helper CD4+ T cell-type 17 (Th17) cells and regulatory CD4+ T cells (Tregs) are balanced through numerous molecular regulators, particularly metabolic factors, and their alteration causes immune dysregulation. Herein, we report that peroxisome proliferator of activated receptor-alpha (Pparα), a lipid metabolism regulator, suppresses Th17 differentiation. We demonstrated that Pparα ablation improves Th17 and pro-Th17 factor HIF-1α by enhancing the expression and nuclear localization of NFκB-activator IκB kinase-alpha (IKKα). Unexpectedly, we found that IKKα directly interacts with RORγt and enhances the expression of Il17a gene. Meanwhile, IKKα also interacts with Foxp3, leading to the post-translational regulation of Foxp3 by elevating its proteasomal degradation, and influencing Th17 development. Pparα deficiency leads to enhanced Th17 development in vivo and is associated with enhanced pathology in a murine experimental autoimmune encephalomyelitis (EAE) model. Overall, our data indicate that Pparα may serve as a potential therapeutic target for autoimmune and inflammatory diseases.
Functional dynamics in framework materials
Authors: Krause Simon , Milić Jovana V.
Published: July 2023

Dynamic crystalline materials have emerged as a unique category of condensed phase matter that combines crystalline lattice with components that display dynamic behavior in the solid state. This has involved a range of materials incorporating dynamic functional units in the form of stimuli-responsive molecular switches and machines, among others. In particular, it has been possible by relying on framework materials, such as porous molecular frameworks and other hybrid organic-inorganic systems that demonstrated potential for serving as scaffolds for dynamic molecular functions. As functional dynamics increase the level of complexity, the associated phenomena are often overlooked and need to be explored. In this perspective, we discuss a selection of recent developments of dynamic solid-state materials across material classes, outlining opportunities and fundamental and methodological challenges for their advancement toward innovative functionality and applications.
Complete tunneling of acoustic waves between piezoelectric crystals
Authors: Geng Zhuoran , Maasilta Ilari J.
Published: July 2023

The mechanical displacements in piezoelectric materials carry along macroscopic electric fields, allowing tunneling of acoustic waves across a vacuum gap beyond the charge-charge interaction distance. However, no rigorous proof of complete acoustic wave tunneling has been presented, and the conditions to achieve complete tunneling have not been identified. Here, we demonstrate analytically the condition for such phenomenon for arbitrary anisotropic crystal symmetries and orientations, and that complete transmission of the incoming wave occurs at the excitation frequency of leaky surface waves. We also show that the complete transmission condition can be related to the surface electric impedance and the effective surface permittivity of the piezoelectric material, relevant to realize the complete tunneling experimentally. We support our findings with numerical results for the maximum power transmittance of a slow transverse wave tunneling between identical ZnO crystals. The results show that complete tunneling can be achieved for a large range of orientations.
The evolving landscape of sea-level rise science from 1990 to 2021
Authors: Khojasteh Danial , Haghani Milad , Nicholls Robert J. , Moftakhari Hamed , Sadat-Noori Mahmood , Mach Katharine J. , Fagherazzi Sergio , Vafeidis Athanasios T. , Barbier Edward , Shamsipour Abbas , Glamore William
Published: July 2023

As sea-level rise (SLR) accelerates due to climate change, its multidisciplinary field of science has similarly expanded, from 41 articles published in 1990 to 1475 articles published in 2021, and nearly 15,000 articles published in the Web of Science over this 32-year period. Here, big-data bibliometric techniques are adopted to systematically analyse this large literature set. Four main research clusters (themes) emerge: (I) geological dimensions and sea-level indicators, (II) impacts, risks, and adaptation, (III) physical components of sea-level change, and (IV) coastal ecosystems and habitats, with 16 associated sub-themes. This analysis provides insights into the evolution of research agendas, the challenges and opportunities for future assessments (e.g. next IPCC reports), and growing focus on adaptation. For example, the relative importance of sub-themes evolves consistently with a relative decline in pure science analysis towards solution-focused topics associated with SLR risks such as high-end rises, declining ecosystem services, flood hazards, and coastal erosion/squeeze.
Phylogeny and biogeography of the algal DMS-releasing enzyme in the global ocean
Authors: Shemi Adva , Ben-Dor Shifra , Rotkopf Ron , Dym Orly , Vardi Assaf
Published: July 2023

Phytoplankton produce the volatile dimethyl sulfide (DMS), an important infochemical mediating microbial interactions, which is also emitted to the atmosphere and affecting the global climate. Albeit the enzymatic source for DMS in eukaryotes was elucidated, namely a DMSP lyase (DL) called Alma1, we still lack basic knowledge regarding its taxonomic distribution. We defined unique sequence motifs which enable the identification of DL homologs (DLHs) in model systems and environmental populations. We used these motifs to predict DLHs in diverse algae by analyzing hundreds of genomic and transcriptomic sequences from model systems under stress conditions and from environmental samples. Our findings show that the DL enzyme is more taxonomically widespread than previously thought, as it is encoded by known algal taxa as haptophytes and dinoflagellates, but also by chlorophytes, pelagophytes and diatoms, which were conventionally considered to lack the DL enzyme. By exploring the Tara Oceans database, we showed that DLHs are widespread across the oceans and are predominantly expressed by dinoflagellates. Certain dinoflagellate DLHs were differentially expressed between the euphotic and mesopelagic zones, suggesting a functional specialization and an involvement in the metabolic plasticity of mixotrophic dinoflagellates. In specific regions as the Southern Ocean, DLH expression by haptophytes and diatoms was correlated with environmental drivers such as nutrient availability. The expanded repertoire of putative DL enzymes from diverse microbial origins and geographic niches suggests new potential players in the marine sulfur cycle and provides a foundation to study the cellular function of the DL enzyme in marine microbes.
A multiplatform metabolomics approach for comprehensive analysis of GIST xenografts with various KIT mutations
Authors: Macioszek Szymon , Dudzik Danuta , Biesemans Margot , Wozniak Agnieszka , Schöffski Patrick , Markuszewski Michal J.
Published: July 2023

Metabolomics is a promising tool for studying the impact of mutations or treatments on GIST tissue. We found that parallel GC-MS and RP-LC-MS analyses allow one to obtain a comprehensive global picture of the GIST metabolome.
A rapid screening platform for antibiotic susceptibility testing based on a simple colorimetric method
Authors: Zhao Rui , Shen Yubin , Zhao Chenyu , Wu Chengfeng , Liu Yuyang , Wan Huakun , Lu Zhentan
Published: July 2023

A new strategy is reported for antibiotic susceptibility testing with a total detection time of less than 8 hours.
Quantifying PG : VG ratio and nicotine content in commercially available e-liquids using handheld Raman spectroscopy
Authors: Richardson Paul I. C. , Burke Adam , Gotts Nigel , Goodacre Royston
Published: July 2023

Raman spectroscopy has potential to allow for inexpensive high throughput screening of e-liquids. Here, we present its ability to quantify PG : VG ratio and nicotine content, and discuss the method's advantages and limitations.
Combined homogeneous and heterogeneous hydrogenation to yield catalyst-free solutions of parahydrogen-hyperpolarized [1-13C]succinate
Authors: Eills James , Picazo-Frutos Román , Burueva Dudari B. , Kovtunova Larisa M. , Azagra Marc , Marco-Rius Irene , Budker Dmitry , Koptyug Igor V.
Published: July 2023

We show that catalyst-free aqueous solutions of hyperpolarized [1-13C]succinate can be produced using parahydrogen-induced polarization (PHIP) and a combination of homogeneous and heterogeneous catalytic hydrogenation reactions.
Perylenediimide regioisomers with tunable physicochemical and charge-transport properties
Authors: Zhang Shuixin , Li Wenhao , Chen Yuzhong , Wu Zeng , Chen Zekun , Zhao Yan , Wang Yang , Liu Yunqi
Published: July 2023

The PDI regioisomer with the central core substituted at bay areas (Y-βPDI) shows more favourable molecular geometry, improved electron-withdrawing ability and higher mobilities compared to its α-counterpart.
Enhanced continuous desalination performance with iron-complexed malonate redox couples
Authors: Han Minxian , Tang Lufan , Xiao Yidong , Li Minzhang , Chen Hedong , Songsiriritthigul Prayoon , Oo Than Zaw , Zaw Mono , Lwin Nyein Wint , Aung Su Htike , Karthick R. , Chen Fuming
Published: July 2023

Enhanced continuous desalination can be achieved with iron-complex malonate redox couples in an MWCNT-COOH carbon flow.
Kaempferol regulates the thermogenic function of adipocytes in high-fat-diet-induced obesity via the CDK6/RUNX1/UCP1 signaling pathway
Authors: Zhang Xiaoxi , Hou Xiaoli , Xu Changyu , Cheng Siyao , Ni Xintao , Shi Yueyue , Yao Yanjing , Chen Liangxin , Hu Miaofen G. , Xia Daozong
Published: July 2023

Kaempferol ameliorates high-fat diet-induced obesity through promotion of white fat browning. Kaempferol suppresses CDK6 and increases RUNX1 to promote browning of white fat.
Garlic-derived exosome-like nanovesicles alleviate dextran sulphate sodium-induced mouse colitis via the TLR4/MyD88/NF-κB pathway and gut microbiota modulation
Authors: Zhu Zhenzhu , Liao Liuyue , Gao Mingwei , Liu Qin
Published: July 2023

Garlic-derived exosome-like nanovesicles containing lipids, proteins and miRNAs are new food bioactive components. They have potential to alleviate colitis through inhibiting the TLR4/MyD88/NF-κB signaling pathway and regulating gut microbiota.
The relationship between mushroom consumption and cognitive performance among middle-aged and older adults: a cross-sectional study
Authors: Yan Yaqiong , Li Benchao , Li Fengping , Zhou Xiaoqi , Li Tingting , Li Yuanyuan , Liu Changshu , Wang Sai , Cong Yang , Deng Yan , Wang Ziping , Zhou Jin , Rong Shuang
Published: July 2023

Using the baseline data from The Lifestyle and Healthy Aging of Chinese Square Dancer Study, we found that participants with higher mushroom intake have better cognitive performance and lower odds of mild cognitive impairment.
Chia flour combined with a high fat diet increases propionic acid production and improves the microbial richness and diversity in female Wistar rats
Authors: Mishima Marcella Duarte Villas , da Silva Bárbara Pereira , Gomes Mariana Juste Contin , Toledo Renata Celi Lopes , Barra Roberta Ribeiro Silva , Tako Elad , Costa Neuza Maria Brunoro , Martino Hércia Stampini Duarte
Published: July 2023

Chia consumption increased the richness and diversity of the microbiota. In addition, it increased the production of acetic and butyric acids in the SDC group and propionic acid in the HFD group, and decreased the pH of cecal content.
Salidroside alleviates dextran sulfate sodium-induced colitis in mice by modulating the gut microbiota
Authors: Liu Jiuxi , Cai Jiapei , Fan Peng , Dong Xue , Zhang Naisheng , Tai Jiandong , Cao Yongguo
Published: July 2023

Dysbiosis causes continuous progress of inflammatory bowel disease (IBD).
Carbonatation of [ethylene–glycidyl methacrylate]-based copolymers with carbon dioxide as a reagent: from batch to solvent-free reactive extrusion
Authors: Guerdener Bruno , Ayzac Virgile , Norsic Sébastien , Besognet Paul , Bounor-Legaré Véronique , Monteil Vincent , Dufaud Véronique , Raynaud Jean , Chalamet Yvan
Published: July 2023

The carbonatation of semi-crystalline [ethylene–glycidyl methacrylate] copolymers was achieved in batch and solvent-free reactive extrusion processes. Using CO2as reagent and ammonium salts as catalysts, we turn the epoxides into cyclic carbonates.
Synthesis and exceptional operational durability of polyaniline-inspired conductive ladder polymers
Authors: Leng Mingwan , Koripally Nandu , Huang Junjie , Vriza Aikaterini , Lee Kyeong Yeon , Ji Xiaozhou , Li Chenxuan , Hays Megan , Tu Qing , Dunbar Kim , Xu Jie , Ng Tse Nga , Fang Lei
Published: July 2023

A conductive ladder polymer, designed and synthesized taking inspiration from the structure of polyaniline, exhibits exceptional stability under harsh conditions and superior durability across numerous redox cycles in operating devices.
SARS-CoV-2 virus-like-particles via liposomal reconstitution of spike glycoproteins
Authors: McColman Sarah , Shkalla Klaidi , Sidhu Pavleen , Liang Jady , Osman Selena , Kovacs Norbert , Bokhari Zainab , Forjaz Marques Ana Carolina , Li Yuchong , Lin Qiwen , Zhang Haibo , Cramb David T.
Published: July 2023

SARS-CoV-2 spike glycoproteins reconstituted into liposome-based virus-like particles show binding to ACE-2 receptors and are internalized by lung epithelial cells.
Chip-based in situ TEM investigation of structural thermal instability in aged layered cathode
Authors: Wang Yuhan , Yuan Yuan , Liao Xiaobin , Van Tendeloo Gustaaf , Zhao Yan , Sun Congli
Published: July 2023

Thermally induced oxygen release is an intrinsic structural instability in layered cathodes, which causes thermal runaway issues and becomes increasingly critical with the continuous improvement in energy density.
Correction: Plasma extracellular vesicle phenotyping for the differentiation of early-stage lung cancer and benign lung diseases
Authors: Yuan Liwen , Chen Yanpin , Ke Longfeng , Zhou Quan , Chen Jiayou , Fan Min , Wuethrich Alain , Trau Matt , Wang Jing
Published: July 2023

Correction for ‘Plasma extracellular vesicle phenotyping for the differentiation of early-stage lung cancer and benign lung diseases’ by Liwen Yuan et al., Nanoscale Horiz., 2023, 8, 746–758, https://doi.org/10.1039/d2nh00570k.
Synergistic effects of phosphorus/nitrogen co-doping and morphology regulation enhance the catalytic hydrogenation performance of Ru-based catalysts for benzoic acid
Authors: Wang Zijian , Wang Yuyao , Pan Zhengyu , Zhou Guoquan , Yan Lele , Zhu Lina , Fang Zheng , Song Tongyang , Chen Xianlang , Li Rongrong
Published: July 2023

The selective hydrogenation of benzoic acid (BA) under mild conditions has great significance in industrial applications.
Up-conversion effect boosted the photocatalytic CO2 reduction activity of Z-scheme CPDs/BiOBr heterojunction
Authors: Xie Jing , Zhang Xiaojing , Lu Zhenjiang , Hu Jindou , Hao Aize , Feng Yue , Cao Yali
Published: July 2023

The CPDs/BiOBr Z-scheme carrier migration system was constructed by a low-heating solid-state chemical reaction, which can simultaneously improve the charge transfer efficiency and maintain high redox activity.
Metal–organic framework-based SERS sensing platforms for life and health detection
Authors: Ma Lindong , Liu Meihui , Zhou Xinyuan , Li Cancan , Wang Tie
Published: July 2023

Schematic diagram of MOF-based SERS sensing platforms for life and health detection.
Accessing aryl azidesviacopper powder-catalyzed cross-coupling of arylboronic acids with the hypervalent azido-iodine reagent ABZ(I)
Authors: Yang Zhifang , Du Feng-Huan , Zhang Chi , Du Yunfei
Published: July 2023

The cross-coupling reaction of arylboronic acids with the hypervalent azido-iodine reagent ABZ(I) in the presence of a catalytic amount of copper powder under LED irradiation was found to give aryl azides in high yields.
Metal-free reductive acyldifluoroalkylation of alkenes through cooperative NHC and organophotocatalysis
Authors: Wang Zhenhui , Li Xiaofeng , Li Wei , Cao Yongyong , Li Huaifeng
Published: July 2023

We introduce a reductive acyldifluoroalkylation method to synthesize β-difluoroalkyl ketones, which proceeds in a metal-free manner at room temperature.
Designing a TiO2-MoO3-BMIMBr nanocomposite by a solvohydrothermal method using an ionic liquid aqueous mixture: an ultra high sensitive acetaminophen sensor
Authors: Tawade Anita K. , Khairnar Ajay P. , Kamble Jayashri V. , Kadam Akash R. , Sharma Kiran Kumar K. , Powar Anil A. , Patil Vijay S. , Patil Manohar R. , Mali Sawanta S. , Hong Chang Kook , Tayade Shivaji N.
Published: July 2023

Schematic representation of synthesis and applications of TiO2-MoO3-BMIMBr nanocomosite for detection of acetaminophen.
Experimental and numerical investigation of microbial growth in two-phase saturated porous media at the pore-scale
Authors: Strobel Gion , Zawallich Jan , Hagemann Birger , Ganzer Leonhard , Ippisch Olaf
Published: July 2023

A novel approach combining microfluidics with 2-D modeling validates the proposed microbial growth model for underground hydrogen storage and concludes space-limited growth and microbial gradients on the pore scale.
Range and strength of mechanical interactions of force dipoles in elastic fiber networks
Authors: Kumar Abhinav , Quint David A. , Dasbiswas Kinjal
Published: July 2023

Force dipoles embedded in elastic fiber networks that represent for example, myosin motors in the cell cytoskeleton, can interact through their mechanical deformations of the network.
Microrheology near jamming
Authors: Hara Yusuke , Mizuno Hideyuki , Ikeda Atsushi
Published: July 2023

We construct a theoretical framework of microrheology of jammed particles. We find that microrheology follows characteristic scaling laws near the jamming transition, which is equivalent to the ones in macrorheology.
Ferroelectric ZrO2 phases from infrared spectroscopy
Authors: El Boutaybi Ali , Cervasio Rebecca , Degezelle Alban , Maroutian Thomas , Brubach Jean-Blaise , Demange Valérie , Largeau Ludovic , Verseils Marine , Matzen Sylvia , Agnus Guillaume , Vivien Laurent , Karamanis Panagiotis , Rérat Michel , Roy Pascale , Lecoeur Philippe
Published: July 2023

We report on the characterization of ferroelectric ZrO2 through infrared (IR) absorption spectroscopy using a synchrotron beamline. And these experimental findings are compared with theoretical simulations performed using the CRYSTAL suite of programs.
The role of methionine synthases in fungal metabolism and virulence
Authors: Scott Jennifer , Amich Jorge
Published: July 2023

Methionine synthases (MetH) catalyse the methylation of homocysteine (Hcy) with 5-methyl-tetrahydrofolate (5, methyl-THF) acting as methyl donor, to form methionine (Met) and tetrahydrofolate (THF). This function is performed by two unrelated classes of enzymes that differ significantly in both their structures and mechanisms of action. The genomes of plants and many fungi exclusively encode cobalamin-independent enzymes (EC.2.1.1.14), while some fungi also possess proteins from the cobalamin-dependent (EC.2.1.1.13) family utilised by humans. Methionine synthase’s function connects the methionine and folate cycles, making it a crucial node in primary metabolism, with impacts on important cellular processes such as anabolism, growth and synthesis of proteins, polyamines, nucleotides and lipids. As a result, MetHs are vital for the viability or virulence of numerous prominent human and plant pathogenic fungi and have been proposed as promising broad-spectrum antifungal drug targets. This review provides a summary of the relevance of methionine synthases to fungal metabolism, their potential as antifungal drug targets and insights into the structures of both classes of MetH.
Day‐ahead operation strategy for multiple data centre prosumers: A cooperative game approach
Authors: Yang Zhihao , Liu Haoming , Ni Ming
Published: July 2023

The transferrable characteristics of workloads both spatial and temporal have received much attention recently. A data centre prosumer (DCP) is created by combining multiple data centre buildings, which contain workloads, photovoltaic generations, and battery energy storage systems (BESSs). Few studies have considered electricity trading and payoff sharing among various DCPs in a data centre park. This paper presents a cooperative framework for interconnected DCPs in a data centre park and proposes a novel day‐ahead operation strategy considering uncertainties in photovoltaic (PV) generations and workloads using the equivalent linear robust reformation method. The operation strategy is formulated as an asymmetric Nash bargaining cooperative game, which aims at maximizing the overall payoff of the cooperative alliance while considering the contributions of shared electricity to share the payoff. To solve the formulated cooperative game problem while preserving user privacy, an enhanced self‐adaptive prediction‐correction‐based alternating direction multiplier method (PCB‐ADMM) algorithm with adaptive penalty coefficients to accelerate convergence is employed in a distributed manner. The case studies indicate a 6.63% reduction in overall cost and verify the feasibility and fairness of the proposed cooperative strategy. The enhanced self‐adaptive PCB‐ADMM algorithm also shows superiority over other ADMM algorithms in effectiveness and rationality.
Investigation of the rotational spectrum of CD3OD and an astronomical search toward IRAS 16293-2422
Authors: Ilyushin V. V. , Müller H. S. P. , Jørgensen J. K. , Bauerecker S. , Maul C. , Porohovoi R. , Alekseev E. A. , Dorovskaya O. , Lewen F. , Schlemmer S. , Lees R. M.
Published: July 2023

Solar-type prestellar cores and protostars frequently display large amounts of deuterated organic molecules and, in particular, high relative abundances of doubly and triply deuterated isotopologs. Recent findings on CHD2OH and CD3OH toward IRAS 16293–2422 suggest that even fully deuterated methanol, CD3OD, may be detectable as well. However, searches for CD3OD are hampered in particular by the lack of intensity information from a spectroscopic model. The objective of the present investigation is to develop a spectroscopic model of CD3OD in low-lying torsional states that is sufficiently accurate to facilitate searches for this isotopolog in space. We carried out a new measurement campaign for CD3OD involving two spectroscopic laboratories that covers the 34 GHz–1.1 THz range. A torsion-rotation Hamiltonian model based on the rho-axis method was employed for our analysis. Our resulting model describes the ground and first excited torsional states of CD3OD well up to quantum numbers J ⩽ 51 and Ka ⩽ 23. We derived a line list for radio-astronomical observations from this model that is accurate up to at least 1.1 THz and should be sufficient for all types of radio-astronomical searches for this methanol isotopolog. This line list was used to search for CD3OD in data from the Protostellar Interferometric Line Survey of IRAS 16293–2422 obtained with the Atacama Large Millimeter/submillimeter Array. While we found several emission features that can be attributed largely to CD3OD, their number is still not sufficiently high enough to establish a clear detection. Nevertheless, the estimate of 2 × 1015 cm−2 derived for the CD3OD column density may be viewed as an upper limit that can be compared to column densities of CD3OH, CH3OD, and CH3OH. The comparison indicates that the CD3OD column density toward IRAS 16293–2422 is in line with the enhanced D/H ratios observed for multiply deuterated complex organic molecules.
Faktoren für die Implementierung von KI-basierten
Entscheidungsunterstützungssystemen zur Antibiotikavorhersage im
Krankenhaus – eine qualitative Analyse aus der Perspektive von
ärztlichem Personal
Authors: Tokgöz Pinar , Hafner Jessica , Dockweiler Christoph
Published: July 2023

Hintergrund Entscheidungsunterstützungssysteme auf Basis
künstlicher Intelligenz können dazu beitragen, den
Antibiotikaeinsatz im Krankenhaus zu optimieren und die Entstehung von
Resistenzen vorzubeugen. Das Ziel der vorliegenden Untersuchung ist es, hemmende
und fördernde Faktoren für eine erfolgreiche Implementierung aus
Perspektive von ärztlichem Personal herauszuarbeiten.

Methode Es wurden 14 problemzentrierte Interviews mit ärztlichem
Personal aus der stationären Versorgung durchgeführt und anhand
der strukturierenden Inhaltsanalyse nach Kuckartz qualitativ ausgewertet.

Ergebnisse Entlang des Human-Organization-Technology-fit-Modells wurden
Haltungen aus der Perspektive des ärztlichen Personals dargestellt.
Technologie- und organisationsbezogene Themen stellen bedeutende Faktoren
für die Implementierung dar. Vor allem die Kompatibilität mit
bestehenden Systemen sowie die Benutzerfreundlichkeit des Systems nehmen einen
hohen Stellenwert bei einer erfolgreichen Implementierung ein.
Zusätzlich wird die Einarbeitung von potenziellen Nutzergruppen und die
technische Ausstattung der Organisation als zentral erachtet. Nicht zuletzt gilt
es die Technikkompetenzen potenzieller Nutzergruppen nachhaltig zu
fördern und Vertrauen für das System zu schaffen.

Schlussfolgerungen Die Ergebnisse bieten eine Basis, um im Folgeschritt
die identifizierten Faktoren quantitativ priorisieren zu können. Es wird
deutlich, dass beim Einsatz von Entscheidungsunterstützungssystemen
neben Systemeigenschaften auch kontextspezifischen und nutzerbezogenen
Gegebenheiten eine zentrale Bedeutung zukommt, um Systemvertrauen und eine
langfristige Implementierung zu gewährleisten.
Aus Fehlern lernen – qualitative Analyse von Gutachten zu
hausärztlichen Behandlungsfehlern
Authors: Förster Christian , Lorenz Gernot , Wilke Marko , Eissler Manfred , Joos Stefanie , Koch Roland
Published: July 2023

Hintergrund Die Gutachterkommissionen der Ärztekammern
ermöglichen eine kostenfreie und außergerichtliche Bewertung von
putativen ärztlichen Behandlungsfehlern. Sie erstellen Gutachten, die
wertvolle Angaben zu Prozessschritten beinhalten, die dem eigentlichen
Behandlungsfehler vorangehen. Ziel der vorliegenden Studie ist es,
Prozessschritte in den Gutachtentexten zu identifizieren und systematisch zu
kategorisieren, um damit die Voraussetzung für eine Auseinandersetzung
mit Fehlern zu ermöglichen.

Methodik In dieser Studie werden zehn zufällig ausgewählte
und anonymisierte Gutachten der Gutachterkommission für Fragen
ärztlicher Haftpflicht der Bezirksärztekammer
Südwürttemberg mit festgestellten hausärztlichen
Behandlungsfehlern nach der Methode der qualitativen Inhaltsanalyse ausgewertet.
In einem iterativen Prozess wurden zentrale Elemente von Gutachten in ein
deduktiv-induktiv erstelltes Kategoriensystem eingeordnet.

Ergebnisse Es wurden sechs Hauptkategorien mit zugehörigen
Unterkategorien identifiziert: 1) Strukturmerkmale des Gutachtens, 2)
Arzt-Patienten-Kommunikation, 3) medizinischer Verlauf, 4) Patientenerleben, 5)
Handlung Praxisteam, 6) Koordinierende Funktion im Gesundheitssystem. Das
Kategoriensystem zeigte bei wiederholter Anwendung eine ausreichende
Reliabilität.

Schlussfolgerungen Fehler bieten die Chance, aus ihnen zu lernen. Die
vorgeschlagene Systematik kann die Komplexität von Gutachten
strukturieren und dadurch in verschiedenen Kontexten als Hilfsmittel dienen.
Insbesondere ermöglicht sie eine differenzierte Betrachtung bei der
Erstellung und vergleichenden Analyse von Gutachten und könnte in der
Versorgungsforschung sowie in der Aus- und Weiterbildung genutzt werden.