bluuebunny/crossref_metadata_2025 huggingface dataset:
Mega Forest Fires Intensify Flood Magnitudes in Southeast Australia
Authors: Xu Zhenwu , Zhang Yongqiang , Blöschl Günter , Piao Shilong
Published: June 2023

Recent forest fires potentially intensify flood hazards. However, forest fire amplification of floods is not well understood at a large scale due to the complex compound impacts of forest fires and climate variability, while available small‐scale cases may not represent regional changes. Here, we show that the 2019–2020 mega forest fires in southeast Australia, with unprecedented burned areas, significantly (p < 0.05) increased the peak discharges of floods during the 2 years after the fires. Spatially, fire impacts on these floods are much stronger in regions with winter‐dominated and uniform rainfall but insignificant in regions with summer‐dominated rainfall. The regional divergence reveals that burned areas can aggravate floods by exacerbating infiltration‐excess runoff processes but may not exert significant effects where saturation‐excess processes dominate. People may be increasingly exposed to such flood hazards, especially in regions where forest fires have become more frequent under climate change.
Changes in Stratosphere‐Troposphere Exchange of Air Mass and Ozone Concentration in CCMI Models From 1960 to 2099
Authors: Wang Mingcheng , Fu Qiang
Published: June 2023

This study investigates changes in stratosphere‐troposphere exchange (STE) of air masses and ozone concentrations from 1960 to 2099 using multiple model simulations from Chemistry Climate Model Initiative (CCMI) under climate change scenario RCP6.0. We employ a lowermost stratosphere mass budget approach with dynamic isentropic surfaces fitted to the tropical tropopause as the upper boundary of lowermost stratosphere. The multi‐model mean (MMM) trends of air mass STEs are all small over all regions, which are within 0.3 (0.1) % decade−1 for 1960–2000 (2000–2099). The MMM trends of ozone STE for 1960–2000 are 0.3%, −2.7%, 3.4%, −0.9%, and −2.7% decade−1 over the Northern hemisphere (NH) extratropics, Southern hemisphere (SH) extratropics, tropics, extratropics, and globe, respectively. The corresponding ozone STE trends for 2000–2099 are 3.0%, 4.3%, 0.8%, 3.5%, and 4.7% decade−1. Changes in ozone STEs are dominated by ozone concentration changes, driven by climate‐induced changes and ozone‐depleting substance (ODS) changes. For 1960–2000, small changes in ozone STEs in the NH extratropics are due to a cancellation between effects of climate‐induced changes and ODS increases, while the ODS effect dominates in the SH extratropics, leading to a large ozone STE magnitude decrease. Increased ozone transport from tropical troposphere to stratosphere for 1960–2000 is due to increased tropospheric ozone. A decreased global ozone STE magnitude for 1960–2000 was largely caused by ODS‐induced ozone loss that is partly compensated by climate‐induced ozone changes. For 2000–2099, about two‐thirds of global ozone STE magnitude increases are caused by ozone increases in the extratropical lower stratosphere due to climate‐induced changes. The remaining one‐third is caused by ozone recovery due to the phaseout of ODS.
The Spatial Distribution of Dissolved Organic Matter and Its Molecular Fingerprints in Seasonal Snow Over Northeastern China
Authors: Mu Zhen , Ma Yuling , Wen Hanxuan , Zhang Chunyu , Qi Yulin , Zhang Daizhou , Zhou Yue , Pu Wei , Wang Xin
Published: June 2023

Dissolved organic matter in seasonal snow (DOMsnow) has a noticeable effect on the carbon cycle, carbon reserve, and ecosystems globally, but its regional characteristics remain unclear owing to a lack of surface measurements. The molecular compositions, potential sources, and degrees of oxidation of DOMsnow were investigated over northeastern China. The results of quantitative analysis for DOMsnow reflect the importance of anthropogenic influence. Fourier transform‐ion cyclotron resonance‐mass spectrometry analyses indicate that most (∼71%) identified molecular formulas are consistent with terrestrial compounds and derive from underlying soil and atmospheric deposition. Microbe‐derived compounds are also important contributors (∼34%) to the DOMsnow pool. The heterogeneous distribution of DOMsnow molecules is a complex process caused by many kinds of factors. Sulfate ions, organic aerosols, longitude, and altitude explain 76.2% of the regional difference in organic components. High levels of oxidation DOMsnow molecules are found, and such high reactive molecules indicate the presence of secondary organic matter and aging processes within the snowpack. The objective of this study is to investigate the characteristics of DOMsnow in high‐latitude regions of China so that we can further understand the impacts of changes in regional processes.
Extracellular matrix-derived mechanical force governs breast cancer cell stemness and quiescence transition through integrin-DDR signaling
Authors: Li Cong , Qiu Shi , Liu Xiaohan , Guo Fengzhu , Zhai Jingtong , Li Zhijun , Deng Linghui , Ge Liming , Qian Haili , Yang Lu , Xu Binghe
Published: June 2023

The extracellular matrix (ECM) serves as signals that regulate specific cell states in tumor tissues. Increasing evidence suggests that extracellular biomechanical force signals are critical in tumor progression. In this study, we aimed to explore the influence of ECM-derived biomechanical force on breast cancer cell status. Experiments were conducted using 3D collagen, fibrinogen, and Matrigel matrices to investigate the role of mechanical force in tumor development. Integrin-cytoskeleton-AIRE and DDR-STAT signals were examined using RNA sequencing and western blotting. Data from 1358 patients and 86 clinical specimens were used for ECM signature-prognosis analysis. Our findings revealed that ECM-derived mechanical force regulated tumor stemness and cell quiescence in breast cancer cells. A mechanical force of ~45 Pa derived from the extracellular substrate activated integrin β1/3 receptors, stimulating stem cell signaling pathways through the cytoskeleton/AIRE axis and promoting tumorigenic potential and stem-like phenotypes. However, excessive mechanical force (450 Pa) could drive stem-like cancer cells into a quiescent state, with the removal of mechanical forces leading to vigorous proliferation in quiescent cancer stem cells. Mechanical force facilitated cell cycle arrest to induce quiescence, dependent on DDR2/STAT1/P27 signaling. Therefore, ECM-derived mechanical force governs breast cancer cell status and proliferative characteristics through stiffness alterations. We further established an ECM signature based on the fibrinogen/fibronectin/vitronectin/elastin axis, which efficiently predicts patient prognosis in breast cancer. Our findings highlight the vital role of ECM-derived mechanical force in governing breast cancer cell stemness/quiescence transition and suggest the novel use of ECM signature in predicting the clinical prognosis of breast cancer.
Outcomes in patients with chronic lymphocytic leukemia and TP53 aberration who received first-line ibrutinib: a nationwide registry study from the Italian Medicines Agency
Authors: Rigolin Gian Matteo , Olimpieri Pier Paolo , Summa Valentina , Celant Simone , Scarfò Lydia , Tognolo Lucia , Ballardini Maria Pia , Urso Antonio , Sessa Mariarosaria , Gambara Silvia , Cura Francesca , Fortini Monica , Ghia Paolo , Cuneo Antonio , Russo Pierluigi
Published: June 2023

In this analysis we describe the effectiveness of first-line ibrutinib in 747 patients with chronic lymphocytic leukemia (CLL) and TP53 aberrations in a nationwide study with a 100% capture of patients who received the study drug. Median age was 71 years (range 32–95). An estimated treatment persistence rate of 63.4% (95% CI 60.0%-67.0%) and survival rate of 82.6% (95% CI 79.9–85.4%) were recorded at 24 months. Disease progression or death were the reasons for discontinuation in 182/397 patients (45.8%). A higher risk of treatment discontinuation was found to be associated with age, ECOG-PS and pre-existing heart disease, whereas ECOG ≥ 1, age ≥ 70 years and male sex were associated with an increased risk of death. Median post-progression overall survival (OS) was 12.2 months (95% CI 9.2–22.0). Post-discontinuation median OS in patients who discontinued ibrutinib for other reasons was not reached (95% CI 42.3 months – NA). Ibrutinib was an effective first-line treatment for CLL and TP53 aberrations in patients treated at large academic centers and community practice hospitals. Clinical characteristics at baseline may influence the effectiveness of ibrutinib, whereas the experience of prescribing centers and multi-hit or single-hit TP53 aberrations had no impact on outcome in this high-risk population.
UHRF1 inhibition epigenetically reprograms cancer stem cells to suppress the tumorigenic phenotype of hepatocellular carcinoma
Authors: Wang Yanchen , Hu Pengchao , Wang Fenfen , Xi Shaoyan , Wu Shasha , Sun Liangzhan , Du Yuyang , Zheng Jingyi , Yang Hui , Tang Mao , Gao Han , Luo Hao , Lv Yue , Yan Jingsong , Ou Xijun , Li Yan
Published: June 2023

Cancer stem cells (CSCs) contribute to tumor initiation, progression, and recurrence in many types of cancer, including hepatocellular carcinoma (HCC). Epigenetic reprogramming of CSCs has emerged as a promising strategy for inducing the transition from malignancy to benignity. Ubiquitin-like with PHD and ring finger domains 1 (UHRF1) is required for DNA methylation inheritance. Here, we investigated the role and mechanism of UHRF1 in regulating CSC properties and evaluated the impact of UHRF1 targeting on HCC. Hepatocyte-specific Uhrf1 knockout (Uhrf1HKO) strongly suppressed tumor initiation and CSC self-renewal in both diethylnitrosamine (DEN)/CCl4-induced and Myc-transgenic HCC mouse models. Ablation of UHRF1 in human HCC cell lines yielded consistent phenotypes. Integrated RNA-seq and whole genome bisulfite sequencing revealed widespread hypomethylation induced by UHRF1 silencing epigenetically reprogrammed cancer cells toward differentiation and tumor suppression. Mechanistically, UHRF1 deficiency upregulated CEBPA and subsequently inhibited GLI1 and Hedgehog signaling. Administration of hinokitiol, a potential UHRF1 inhibitor, significantly reduced tumor growth and CSC phenotypes in mice with Myc-driven HCC. Of pathophysiological significance, the expression levels of UHRF1, GLI1, and key axis proteins consistently increased in the livers of mice and patients with HCC. These findings highlight the regulatory mechanism of UHRF1 in liver CSCs and have important implications for the development of therapeutic strategies for HCC.
DprE2 is a molecular target of the anti-tubercular nitroimidazole compounds pretomanid and delamanid
Authors: Abrahams Katherine A. , Batt Sarah M. , Gurcha Sudagar S. , Veerapen Natacha , Bashiri Ghader , Besra Gurdyal S.
Published: June 2023

Mycobacterium tuberculosis is one of the global leading causes of death due to a single infectious agent. Pretomanid and delamanid are new antitubercular agents that have progressed through the drug discovery pipeline. These compounds are bicyclic nitroimidazoles that act as pro-drugs, requiring activation by a mycobacterial enzyme; however, the precise mechanisms of action of the active metabolite(s) are unclear. Here, we identify a molecular target of activated pretomanid and delamanid: the DprE2 subunit of decaprenylphosphoribose-2’-epimerase, an enzyme required for the synthesis of cell wall arabinogalactan. We also provide evidence for an NAD-adduct as the active metabolite of pretomanid. Our results highlight DprE2 as a potential antimycobacterial target and provide a foundation for future exploration into the active metabolites and clinical development of pretomanid and delamanid.
Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red
Authors: Syrjänen Johanna L. , Epstein Max , Gómez Ricardo , Furukawa Hiro
Published: June 2023

Calcium homeostasis modulator 1 (CALHM1) is a voltage-dependent channel involved in neuromodulation and gustatory signaling. Despite recent progress in the structural biology of CALHM1, insights into functional regulation, pore architecture, and channel blockade remain limited. Here we present the cryo-EM structure of human CALHM1, revealing an octameric assembly pattern similar to the non-mammalian CALHM1s and the lipid-binding pocket conserved across species. We demonstrate by MD simulations that this pocket preferentially binds a phospholipid over cholesterol to stabilize its structure and regulate the channel activities. Finally, we show that residues in the amino-terminal helix form the channel pore that ruthenium red binds and blocks.
Climate-driven changes in the predictability of seasonal precipitation
Authors: Le Phong V. V. , Randerson James T. , Willett Rebecca , Wright Stephen , Smyth Padhraic , Guilloteau Clément , Mamalakis Antonios , Foufoula-Georgiou Efi
Published: June 2023

Climate-driven changes in precipitation amounts and their seasonal variability are expected in many continental-scale regions during the remainder of the 21st century. However, much less is known about future changes in the predictability of seasonal precipitation, an important earth system property relevant for climate adaptation. Here, on the basis of CMIP6 models that capture the present-day teleconnections between seasonal precipitation and previous-season sea surface temperature (SST), we show that climate change is expected to alter the SST-precipitation relationships and thus our ability to predict seasonal precipitation by 2100. Specifically, in the tropics, seasonal precipitation predictability from SSTs is projected to increase throughout the year, except the northern Amazonia during boreal winter. Concurrently, in the extra-tropics predictability is likely to increase in central Asia during boreal spring and winter. The altered predictability, together with enhanced interannual variability of seasonal precipitation, poses new opportunities and challenges for regional water management.
Biomolecular condensate drives polymerization and bundling of the bacterial tubulin FtsZ to regulate cell division
Authors: Ramm Beatrice , Schumacher Dominik , Harms Andrea , Heermann Tamara , Klos Philipp , Müller Franziska , Schwille Petra , Søgaard-Andersen Lotte
Published: June 2023

Cell division is spatiotemporally precisely regulated, but the underlying mechanisms are incompletely understood. In the social bacteriumMyxococcus xanthus, the PomX/PomY/PomZ proteins form a single megadalton-sized complex that directly positions and stimulates cytokinetic ring formation by the tubulin homolog FtsZ. Here, we study the structure and mechanism of this complex in vitro and in vivo. We demonstrate that PomY forms liquid-like biomolecular condensates by phase separation, while PomX self-assembles into filaments generating a single large cellular structure. The PomX structure enriches PomY, thereby guaranteeing the formation of precisely one PomY condensate per cell through surface-assisted condensation. In vitro, PomY condensates selectively enrich FtsZ and nucleate GTP-dependent FtsZ polymerization and bundle FtsZ filaments, suggesting a cell division site positioning mechanism in which the single PomY condensate enriches FtsZ to guide FtsZ-ring formation and division. This mechanism shares features with microtubule nucleation by biomolecular condensates in eukaryotes, supporting this mechanism’s ancient origin.
Photocatalytic phosphine-mediated water activation for radical hydrogenation
Authors: Zhang Jingjing , Mück-Lichtenfeld Christian , Studer Armido
Published: June 2023

The chemical activation of water would allow this earth-abundant resource to be transferred into value-added compounds, and is a topic of keen interest in energy research1,2. Here, we demonstrate water activation with a photocatalytic phosphine-mediated radical process under mild conditions. This reaction generates a metal-free PR3–H2O radical cation intermediate, in which both hydrogen atoms are used in the subsequent chemical transformation through sequential heterolytic (H+) and homolytic (H•) cleavage of the two O–H bonds. The PR3–OH radical intermediate provides an ideal platform that mimics the reactivity of a ‘free’ hydrogen atom, and which can be directly transferred to closed-shell π systems, such as activated alkenes, unactivated alkenes, naphthalenes and quinoline derivatives. The resulting H adduct C radicals are eventually reduced by a thiol co-catalyst, leading to overall transfer hydrogenation of the π system, with the two H atoms of water ending up in the product. The thermodynamic driving force is the strong P=O bond formed in the phosphine oxide by-product. Experimental mechanistic studies and density functional theory calculations support the hydrogen atom transfer of the PR3–OH intermediate as a key step in the radical hydrogenation process.
Femtosecond proton transfer in urea solutions probed by X-ray spectroscopy
Authors: Yin Zhong , Chang Yi-Ping , Balčiūnas Tadas , Shakya Yashoj , Djorović Aleksa , Gaulier Geoffrey , Fazio Giuseppe , Santra Robin , Inhester Ludger , Wolf Jean-Pierre , Wörner Hans Jakob
Published: June 2023

Proton transfer is one of the most fundamental events in aqueous-phase chemistry and an emblematic case of coupled ultrafast electronic and structural dynamics1,2. Disentangling electronic and nuclear dynamics on the femtosecond timescales remains a formidable challenge, especially in the liquid phase, the natural environment of biochemical processes. Here we exploit the unique features of table-top water-window X-ray absorption spectroscopy3–6 to reveal femtosecond proton-transfer dynamics in ionized urea dimers in aqueous solution. Harnessing the element specificity and the site selectivity of X-ray absorption spectroscopy with the aid of ab initio quantum-mechanical and molecular-mechanics calculations, we show how, in addition to the proton transfer, the subsequent rearrangement of the urea dimer and the associated change of the electronic structure can be identified with site selectivity. These results establish the considerable potential of flat-jet, table-top X-ray absorption spectroscopy7,8 in elucidating solution-phase ultrafast dynamics in biomolecular systems.
Phase separation of FSP1 promotes ferroptosis
Authors: Nakamura Toshitaka , Hipp Clara , Santos Dias Mourão André , Borggräfe Jan , Aldrovandi Maceler , Henkelmann Bernhard , Wanninger Jonas , Mishima Eikan , Lytton Elena , Emler David , Proneth Bettina , Sattler Michael , Conrad Marcus
Published: June 2023

Ferroptosis is evolving as a highly promising approach to combat difficult-to-treat tumour entities including therapy-refractory and dedifferentiating cancers1–3. Recently, ferroptosis suppressor protein-1 (FSP1), along with extramitochondrial ubiquinone or exogenous vitamin K and NAD(P)H/H+ as an electron donor, has been identified as the second ferroptosis-suppressing system, which efficiently prevents lipid peroxidation independently of the cyst(e)ine–glutathione (GSH)–glutathione peroxidase 4 (GPX4) axis4–6. To develop FSP1 inhibitors as next-generation therapeutic ferroptosis inducers, here we performed a small molecule library screen and identified the compound class of 3-phenylquinazolinones (represented by icFSP1) as potent FSP1 inhibitors. We show that icFSP1, unlike iFSP1, the first described on-target FSP1 inhibitor5, does not competitively inhibit FSP1 enzyme activity, but instead triggers subcellular relocalization of FSP1 from the membrane and FSP1 condensation before ferroptosis induction, in synergism with GPX4 inhibition. icFSP1-induced FSP1 condensates show droplet-like properties consistent with phase separation, an emerging and widespread mechanism to modulate biological activity7. N-terminal myristoylation, distinct amino acid residues and intrinsically disordered, low-complexity regions in FSP1 were identified to be essential for FSP1-dependent phase separation in cells and in vitro. We further demonstrate that icFSP1 impairs tumour growth and induces FSP1 condensates in tumours in vivo. Hence, our results suggest that icFSP1 exhibits a unique mechanism of action and synergizes with ferroptosis-inducing agents to potentiate the ferroptotic cell death response, thus providing a rationale for targeting FSP1-dependent phase separation as an efficient anti-cancer therapy.
Single molecule infrared spectroscopy in the gas phase
Authors: Calvin Aaron , Eierman Scott , Peng Zeyun , Brzeczek Merrell , Satterthwaite Lincoln , Patterson David
Published: June 2023

Spectroscopy is a key analytical tool that provides valuable insight into molecular structure and is widely used to identify chemical samples. Tagging spectroscopy is a form of action spectroscopy in which the absorption of a single photon by a molecular ion is detected via the loss of a weakly attached, inert ‘tag’ particle (for example, He, Ne, N2)1–3. The absorption spectrum is derived from the tag loss rate as a function of incident radiation frequency. So far, all spectroscopy of gas phase polyatomic molecules has been restricted to large molecular ensembles, thus complicating spectral interpretation by the presence of multiple chemical and isomeric species. Here we present a novel tagging spectroscopic scheme to analyse the purest possible sample: a single gas phase molecule. We demonstrate this technique with the measurement of the infrared spectrum of a single gas phase tropylium (C7H7+) molecular ion. The high sensitivity of our method revealed spectral features not previously observed using traditional tagging methods4. Our approach, in principle, enables analysis of multicomponent mixtures by identifying constituent molecules one at a time. Single molecule sensitivity extends action spectroscopy to rare samples, such as those of extraterrestrial origin5,6, or to reactive reaction intermediates formed at number densities that are too low for traditional action methods.
Influence of Ca doping in structural, electronic, optical and mechanical properties of Ba1−xCaxTiO3 perovskite from first-principles investigation
Authors: Hasan Zahid , Rahman M. Atikur , Das Dipta Kumar , Rouf Hasan Khaled
Published: June 2023

Nowadays, perovskite materials are well known for electronics and optoelectronics applications. We have investigated a potential candidate for those applications to compare the applicability in optoelectronics, photorefractive and photovoltaic (PV) devices. The systematic comparative study of the structural, electronic, optical, mechanical, and thermodynamic properties of pure BaTiO3and Ca doped BaTiO3(Ba1−xCaxTiO3where x = 0.125, 0.25, 0.375, 0.500, 0.625) perovskite have been carried out using first-principles and density-functional-theory calculations as recently this material was mostly experimented. The measured structural parameters from the geometrically optimized structure of cubic BT ceramic compared with the other theoretical values. A crystal phase transition occurs when doping content x = 0.25. The electronic band structure shows that the nature of the bandgap is changed from indirect bandgap to direct bandgap energy at G-point after doping the Ca atom into BaTiO3(BT) crystal. Doping of Ca into BT has led to bandstructure modification including conduction band (CB) shifting toward the higher energy level. Electronic properties have been reported to examine the contribution of different orbitals to the CB and to the valance band (VB). This study investigated the modification of optical properties such as absorption, reflectivity, refractive index, extinction coefficient, conductivity, dielectric function and loss function at the energy range from 0 to 30 eV. The prominent absorption peak and optical energy were observed at the UV light energy region. Based on the optical behavior of the material this theoretical research suggests that the doped BT solution is a suitable candidate for photorefractive and optoelectronic devices. Different elastic constants reveal mechanical stability and the existence of the covalent bond of those compounds. Debye temperature increases with doping content. Hence modification of BaTiO3crystal by Ca atom significantly develop various properties that led it to multifunctional applications.
An ethogram analysis of cutaneous thermal pain sensitivity and oxycodone reward-related behaviors in rats
Authors: Brice-Tutt Ariana C. , Montgomery Darrice S. , Kramer Cassidy M. , Novotny Peter M. , Malphurs Wendi L. , Sharma Abhisheak , Caudle Robert. M. , Bruijnzeel Adriaan W. , Setlow Barry , Neubert John K. , Murphy Niall P.
Published: June 2023

Inter-relationships between pain sensitivity, drug reward, and drug misuse are of considerable interest given that many analgesics exhibit misuse potential. Here we studied rats as they underwent a series of pain- and reward-related tests: cutaneous thermal reflex pain, induction and extinction of conditioned place preference to oxycodone (0.56 mg/kg), and finally the impact of neuropathic pain on reflex pain and reinstatement of conditioned place preference. Oxycodone induced a significant conditioned place preference that extinguished throughout repeated testing. Correlations identified of particular interest included an association between reflex pain and oxycodone-induced behavioral sensitization, and between rates of behavioral sensitization and extinction of conditioned place preference. Multidimensional scaling analysis followed by k-clustering identified three clusters: (1) reflex pain, rate of behavioral sensitization and rate of extinction of conditioned place preference (2) basal locomotion, locomotor habituation, acute oxycodone-stimulated locomotion and rate of change in reflex pain during repeated testing, and (3) magnitude of conditioned place preference. Nerve constriction injury markedly enhanced reflex pain but did not reinstate conditioned place preference. These results suggest that high rates of behavioral sensitization predicts faster rates of extinction of oxycodone seeking/reward, and suggest that cutaneous thermal reflex pain may be predictive of both.
A moment kernel machine for clinical data mining to inform medical decision making
Authors: Yu Yao-Chi , Zhang Wei , O’Gara David , Li Jr-Shin , Chang Su-Hsin
Published: June 2023

Machine learning-aided medical decision making presents three major challenges: achieving model parsimony, ensuring credible predictions, and providing real-time recommendations with high computational efficiency. In this paper, we formulate medical decision making as a classification problem and develop a moment kernel machine (MKM) to tackle these challenges. The main idea of our approach is to treat the clinical data of each patient as a probability distribution and leverage moment representations of these distributions to build the MKM, which transforms the high-dimensional clinical data to low-dimensional representations while retaining essential information. We then apply this machine to various pre-surgical clinical datasets to predict surgical outcomes and inform medical decision making, which requires significantly less computational power and time for classification while yielding favorable performance compared to existing methods. Moreover, we utilize synthetic datasets to demonstrate that the developed moment-based data mining framework is robust to noise and missing data, and achieves model parsimony giving an efficient way to generate satisfactory predictions to aid personalized medical decision making.
Representational momentum of biological motion in full-body, point-light and single-dot displays
Authors: Zucchini Elena , Borzelli Daniele , Casile Antonino
Published: June 2023

Observing the actions of others triggers, in our brain, an internal and automatic simulation of its unfolding in time. Here, we investigated whether the instantaneous internal representation of an observed action is modulated by the point of view under which an action is observed and the stimulus type. To this end, we motion captured the elliptical arm movement of a human actor and used these trajectories to animate a photorealistic avatar, a point-light stimulus or a single dot rendered either from an egocentric or an allocentric point of view. Crucially, the underlying physical characteristics of the movement were the same in all conditions. In a representational momentum paradigm, we then asked subjects to report the perceived last position of an observed movement at the moment in which the stimulus was randomly stopped. In all conditions, subjects tended to misremember the last configuration of the observed stimulus as being further forward than the veridical last showed position. This misrepresentation was however significantly smaller for full-body stimuli compared to point-light and single dot displays and it was not modulated by the point of view. It was also smaller when first-person full body stimuli were compared with a stimulus consisting of a solid shape moving with the same physical motion. We interpret these findings as evidence that full-body stimuli elicit a simulation process that is closer to the instantaneous veridical configuration of the observed movements while impoverished displays (both point-light and single-dot) elicit a prediction that is further forward in time. This simulation process seems to be independent from the point of view under which the actions are observed.
Strengths of social ties modulate brain computations for third-party punishment
Authors: Tang Zixuan , Qu Chen , Hu Yang , Benistant Julien , Moisan Frédéric , Derrington Edmund , Dreher Jean-Claude
Published: June 2023

Costly punishment of social norm transgressors by third-parties has been considered as a decisive stage in the evolution of human cooperation. An important facet of social relationship knowledge concerns the strength of the social ties between individuals, as measured by social distance. Yet, it is unclear how the enforcement of social norms is influenced by the social distance between a third-party and a norm violator at the behavioral and the brain system levels. Here, we investigated how social distance between punishers and norm-violators influences third-party punishment. Participants as third-party punished norm violators more severely as social distance between them increased. Using model-based fMRI, we disentangled key computations contributing to third-party punishment: inequity aversion, social distance between participant and norm violator and integration of the cost to punish with these signals. Inequity aversion increased activity in the anterior cingulate cortex and bilateral insula, and processing social distance engaged a bilateral fronto-parietal cortex brain network. These two brain signals and the cost to punish were integrated in a subjective value signal of sanctions that modulated activity in the ventromedial prefrontal cortex. Together, our results reveal the neurocomputational underpinnings of third-party punishment and how social distance modulates enforcement of social norms in humans.
Glutamine synthetase (GS) knockout (KO) using CRISPR/Cpf1 diversely enhances selection efficiency of CHO cells expressing therapeutic antibodies
Authors: Srila Witsanu , Baumann Martina , Riedl Markus , Rangnoi Kuntalee , Borth Nicole , Yamabhai Montarop
Published: June 2023

The glutamine synthetase (GS)-based Chinese hamster ovary (CHO) selection system is an attractive approach to efficiently identify suitable clones in the cell line generation process for biologics manufacture, for which GS-knockout (GS-KO) CHO cell lines are commonly used. Since genome analysis indicated that there are two GS genes in CHO cells, deleting only 1 GS gene could potentially result in the activation of other GS genes, consequently reducing the selection efficiency. Therefore, in this study, both GS genes identified on chromosome 5 (GS5) and 1 (GS1) of CHO-S and CHO-K1, were deleted using CRISPR/Cpf1. Both single and double GS-KO CHO-S and K1 showed robust glutamine-dependent growth. Next, the engineered CHO cells were tested for their efficiency of selection of stable producers of two therapeutic antibodies. Analysis of pool cultures and subclones after a single round of 25 µM methionine sulfoxinime (MSX) selection indicated that for CHO-K1 the double GS5,1-KO was more efficient as in the case of a single GS5-KO the GS1 gene was upregulated. In CHO-S, on the other hand, with an autologously lower level of expression of both variants of GS, a single GS5-KO was more robust and already enabled selection of high producers. In conclusion, CRISPR/Cpf1 can be efficiently used to knock out GS genes from CHO cells. The study also indicates that for the generation of host cell lines for efficient selection, the initial characterisation of expression levels of the target gene as well as the identification of potential escape mechanisms is important.
Leveraging deep survival models to predict quality of care risk in diverse hospital readmissions
Authors: Tran Nhat Quang , Goel Gautam , Pudota Nirmala , Suesserman Michael , Helms John , Lasaga Daniel , Olson Dan , Bowen Edward , Bhattacharya Sanmitra
Published: June 2023

Hospital readmissions rate is reportedly high and has caused huge financial burden on health care systems in many countries. It is viewed as an important indicator of health care providers’ quality of care. We examine the use of machine learning-based survival analysis to assess quality of care risk in hospital readmissions. This study applies various survival models to explore the risk of hospital readmissions given patient demographics and their respective hospital discharges extracted from a health care claims dataset. We explore advanced feature representation techniques such as BioBERT and Node2Vec to encode high-dimensional diagnosis code features. To our knowledge, this study is the first to apply deep-learning based survival-analysis models for predicting hospital readmission risk agnostic of specific medical conditions and a fixed window for readmission. We found that modeling the time from discharge date to readmission date as a Weibull distribution as in the SparseDeepWeiSurv model yields the best discriminative power and calibration. In addition, embedding representations of the diagnosis codes do not contribute to improvement in model performance. We find dependency of each model’s performance on the time point at which it is evaluated. This time dependency of the models’ performance on the health care claims data may necessitate a different choice of model in quality of care issue detection at different points in time. We show the effectiveness of deep-learning based survival-analysis models in estimating the quality of care risk in hospital readmissions.
Long-term fungal inoculation of Ficus sycomorus and Tectona grandis woods with Aspergillus flavus and Penicillium chrysogenum
Authors: Mansour Maisa M. A. , Mohamed Wafaa A. , El-Settawy Ahmed A. A. , Böhm Martin , Salem Mohamed Z. M. , Farahat Marwa G. S.
Published: June 2023

In the current study, two molds, Aspergillus flavus (ACC# LC325160) and Penicillium chrysogenum (ACC# LC325162) were inoculated into two types of wood to be examined using scanning electron microscopy-energy dispersive X-ray (SEM–EDX) and computerized tomography (CT) scanning. Ficus sycomorus, a non-durable wood, and Tectona grandis, a durable wood, were the two wood blocks chosen, and they were inoculated with the two molds and incubated for 36 months at an ambient temperature of 27 ± 2 °C and 70 ± 5% relative humidity (RH). The surface and a 5-mm depth of inoculated wood blocks were histologically evaluated using SEM and CT images. The results showed that A. flavus and P. chrysogenum grew enormously on and inside of F. sycomorus wood blocks, but T. grandis wood displayed resistance to mold growth. The atomic percentages of C declined from 61.69% (control) to 59.33% in F. sycomorus wood samples inoculated with A. flavus while O increased from 37.81 to 39.59%. P. chrysogenum caused the C and O atomic percentages in F. sycomorus wood to drop to 58.43%, and 26.34%, respectively. C with atomic percentages in Teak wood’s C content fell from 70.85 to 54.16%, and 40.89%, after being inoculated with A. flavus and P. chrysogenum. The O atomic percentage rose from 28.78 to 45.19% and 52.43%, when inoculated with A. flavus and P. chrysogenum, respectively. Depending on how durable each wood was, The examined fungi were able to attack the two distinct types of wood in various deterioration patterns. T. grandis wood overtaken by the two molds under study appears to be a useful material for a variety of uses.
Influence of droplet size on the antibacterial efficacy of citral and citronella oil nanoemulsions in polysaccharide coated fresh-cut apples
Authors: Touayar Mounir , Zayani Rania , Messaoud Chokri , Salman Hesham
Published: June 2023

Fresh-cut fruits are highly perishable and susceptible to bacterial contamination. Polysaccharides edible coating loaded with essential oils nanoemulsions have the potential to extend shelf life and improve quality of fruits. The effectiveness of this approach is dependent on the properties of the nanoemulsions, such as droplet size (DS) and stability. This study aimed to optimize the production of citral (CT) and citronella oil (CTO) nanoemulsions (CT-CTO-NEs) incorporated in edible coating film to be used as natural antimicrobial agent in fresh-cut apples. After testing different combinations of surfactant (tween 80) and cosurfactant (propylene glycol) to obtain stable oil-in-water (o/w) nanoemulsions, the results demonstrated that optimized CT-CTO-NEs with DS less than 500 nm have been successfully achieved with high stability for 3 weeks at 4 °C. In addition, CT-CTO-NEs were obtained by In situ formation under magnetic stirring without applying complex high shear homogenization processes. Desired stability of CT-CTO-NEs also has been achieved within semi-solid matrix (sodium alginate cross-linked film). The relationship between DS and antibacterial activity was observed, with the smallest DS (< 100 nm) showing the highest antibacterial efficacy against Listeria monocytogenes and Escherichia coli. These results emphasize the importance of DS in the effectiveness of CT-CTO-NEs as an antibacterial coating for fresh-cut fruits.
Evaluation of salt intake estimated from 24-h urinary sodium excretion in medical professionals in Darkhan-Uul Province, Mongolia: a cross-sectional study
Authors: Hikita Naoko , Batsaikhan Enkhtungalag , Sasaki Satoshi , Haruna Megumi , Yura Ariunaa , Oidovsuren Otgontogoo
Published: June 2023

This cross-sectional study aimed to estimate the daily salt intake of medical professionals working in public health facilities in Darkhan-Uul Province, Mongolia. We conducted a multiple logistic regression analysis to identify factors associated with their consumption of salt exceeding the recommended daily salt intake (≥ 5 g/day). A self-administered questionnaire and 24-h urine samples were used to obtain data on the participants’ salt intake. Of 338 participants, 159 completed the 24-h urine collection. The mean sodium excretion into urine was 122.3 mmol/day, which was equivalent to a mean salt intake of 7.7 g/day when the urinary excretion rate was considered as 93%. Body mass index was positively correlated with excess salt intake (adjusted odds ratio [AOR]: 1.27; 95% confidence interval [CI] 1.10–1.46), while age was negatively correlated with excess salt intake (AOR: 0.95; 95% CI 0.91–1.00). Participants who consumed ≥ 2 cups of salted suutei tsai (Mongolian milk tea) daily had a higher risk of consuming ≥ 5 g/day of salt than those who consumed ≤ 1 cup/day. The average estimated salt intake of the participants was higher than the recommended value. Medical professionals should be aware of factors associated with excessive salt consumption and make appropriate adjustments to minimize it.
Hydro-morphological behavior around T-shaped spur dikes with downward seepage
Authors: Patel Harish Kumar , Kumar Bimlesh
Published: June 2023

The present work experimentally analyses the flow behaviour near the T-shaped spur dike field with no seepage, 5%, and 10% downward seepage. Experiments were aimed at analysing the channel morphology with different discharges. According to the results, downward seepage movement causes significant modification in the channels bed elevation and the development of scour depth. The maximum scour depth is observed at the edge of the first spur dike facing the flow. The rate of scouring also increases with the effect of seepage. Due to downward seepage, the flow distribution is shifted near the channel bed. However, near the channel boundary attained some velocity, significantly enhancing the sediment transport rate. The wake zone between the spur dikes saw very low-velocity magnitudes of positive and negative values. This reveals secondary current generation inside the loop and cross-stream circulation. With an increment of seepage percentage, the velocity, Reynold shear stress, and turbulent kinetic energy magnitude also rise close to the channel’s boundary.
Quantitative characterization of the failure behavior of dangerous rocks based on the Frozen-Thawing Test
Authors: Zhang Ke , Xu Yi , Zhang Kai , Bao Rui , Fan Wenchen
Published: June 2023

A deep knowledge of the failure mechanisms and early warning of dangerous rocks is an important issue in geological disaster prevention and reduction. This study focuses on the failure analysis of dangerous rocks from a laboratory scale, whose models are prepared by 3D printing (3DP) technology. The frozen–thawing test (FTT) is performed to reproduce the failure processes of toppling and falling types dangerous rocks. In addition, the digital image correlation (DIC) technique is applied to detect the deformation characteristics of dangerous rock models during the tests. The relative displacements along the structural plane and the displacement vectors on the dangerous rock surface are further extracted to quantitatively reveal the failure mechanism from a fine-view perspective. It is found that the toppling type dangerous rock is dominated by the rotational failure, while the falling type dangerous rock is dominated by tensile‒shear failure. Furthermore, a DIC-based early warning method is proposed for identifying the precursors of dangerous rock instability from a laboratory perspective. The results provide an important application and reference value for the study of dangerous rock prevention and reduction.
Not brushing teeth at night may increase the risk of cardiovascular disease
Authors: Isomura Emiko Tanaka , Suna Shinichiro , Kurakami Hiroyuki , Hikoso Shungo , Uchihashi Toshihiro , Yokota Yusuke , Sakata Yasushi , Tanaka Susumu
Published: June 2023

In this study, we investigated whether toothbrushing timing affects cardiovascular disease risk. We enrolled 1675 patients aged ≥ 20 years who were hospitalized for surgery, examination, or medical treatment. The participants were categorized as follows based on toothbrushing: Group MN (brushing teeth after waking up and at night, n = 409), Group Night (brushing teeth at night but not upon waking up, n = 751), Group M (brushing teeth after waking up but not at night, n = 164), and Group None (not brushing teeth at all, n = 259). The participants’ age, sex, smoking history, and follow-up results were evaluated. Group M had four times as many men as women. Multivariate analysis of cardiovascular events showed significantly higher survival estimates in Group MN (P = 0.021) and Group Night (P = 0.004) than in Group None. Kaplan–Meier analysis of subgroups based on smoking status revealed that smokers in Group None had significantly worse prognosis for cardiovascular onset events than smokers in other groups; non-smokers in Groups None and M showed significantly worse prognosis on hospitalization. Our findings are limited to cardiovascular diseases and cannot be generalized to healthy populations. However, we suggest that brushing teeth at night is important for lowering cardiovascular disease risk.
Flow cytometry for on-line microbial regrowth monitoring in a membrane filtration plant: pilot-scale case study for wastewater reuse
Authors: Pluym Thomas , García-Timermans Cristina , Vervloet Sander , Cornelissen Riet , Boon Nico , De Gusseme Bart
Published: June 2023

With the use of on-line flow cytometric fingerprinting, we confirmed that cell densities in a RO permeate were caused by bacterial regrowth in the piping, and that there was no problem with the integrity of the membrane and resulting water quality.
Quantitative determination of the full switching cycle of photochromic fluorescent proteins
Authors: Bourges Anaïs C. , Moeyaert Benjamien , Bui Thi Yen Hang , Bierbuesse Franziska , Vandenberg Wim , Dedecker Peter
Published: June 2023

The observation of incomplete on/off switching of rsGreen1 at different pH as well as a different initial first cycle can be quantitatively described by our simple 4-state model presented in this work.
Divergent reactivity of sulfoxonium ylide with allyl carbonate and allyl carbamate
Authors: Hanchate Vinayak , Reddy Sudharshan Nagabhushana , Kumar Anil , Prabhu Kandikere Ramaiah
Published: June 2023

A divergent reactivity of sulfoxonium ylide with allyl carbonates and allyl carbamates is demonstrated.
Mesoscale clusters in multicomponent systems: the effect of solution preparation and pre-treatment on primary nucleation of a carbamazepine-saccharin cocrystal
Authors: Crutzen Jordan , Zeng Lai , Svärd Michael
Published: June 2023

Nucleation of a cocrystal from solution shows a dependence on pre-treatment conditions, and on whether solutions are prepared by dissolving the cocrystal solids or the two separate coformers.
Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands
Authors: Guo Runzhong , Liu Yuchen , Wang Zhibin , Wang Haiying , Liu Huiyan
Published: June 2023

Based on a layered Zn-MOF (1⊃NO3−), anion-dependent dynamic structure and tunable luminescence were demonstrated by SC–SC transformation with free NO3− exchanged with ClO4− or BF4−, and with coordinated NO3− exchanged with Cl− to give a 3D structure.
Biaxial negative thermal expansion in carbon nets – graphyne and derivatives
Authors: Mondal Soumya , Datta Ayan
Published: June 2023

Graphynes show excellent negative thermal expansion (NTE) due to a variety of bond-connectivities causing large anharmonicity.
AuNRs attached TiO2NPs modified by cobalt-imidazolate frameworks as exceptional materials to improve the energy conversion efficiency of dye-sensitized solar cells
Authors: Bagheri Nafiseh , Hassanzadeh Javad , Al-Ruqeishi Zainab B. , Manan Ninie Suhana Abdul , Al Lawati Haider A. J. , Abou-Zied Osama K.
Published: June 2023

The incorporation of gold nanorod-modified TiO2nanoparticles (TiO2/AuNRs) along with cobalt-imidazolate frameworks (ZIF-67) into the photoanode of dye-sensitized solar cells resulted in a notable enhancement in energy conversion efficiency.
Teaching old presumptive tests new digital tricks with computer vision for forensic applications
Authors: Bugeja Nathalie , Oliver Cameron , McGrath Nicole , McGuire Jake , Yan Chunhui , Carlysle-Davies Felicity , Reid Marc
Published: June 2023

By-eye forensic spot tests can be more quantifiably monitored and compared using non-contact computer vision methods.
Radical metallacyclopropene: synthesis, structure and aromaticity
Authors: Bai Wei , Li Lei , Fu Yukang , Tang Junping , Zhao Yue , Wang Yilun , Li Yang
Published: June 2023

Radical rhenabenzofurans with a fused metallacyclopropene unit are reported. The three-membered rhenacyclopropene ring is σ-aromatic, while the rhenafuran ring is nonaromatic.
K2LiScF6:Cr3+/Mn4+fluoride phosphor with enhanced broadband emission for NIR pc-LEDs
Authors: Wang Yunfeng , Feng Jiajun , Chen Pengyun , Huo Jiansheng , Zhang Qiuhong , Liu Shuanglai , Tang Mengyuan , Li Junhao , Zhou Jianbang
Published: June 2023

The NIR emission of Cr3+can be enhanced by the energy transfer from Mn4+to Cr3+, which may provide an alternative way for improving the PL intensity of Cr3+-activated broadband NIR phosphors.