bluuebunny/crossref_metadata_2025 huggingface dataset:
The Materialistic Consumer
Authors: Im Hohjin , Shane Jacob
Published: May 2024

Abstract: Understanding predictors of consumerism, particularly those reflective of how individuals believe society functions, is an emerging, yet understudied, area of research. Recent findings have shown a link between perceived social mobility and materialism. However, it remains unclear how the perceived causes of socioeconomic status (SES) attainment predict consumerism. The current study ( N = 171) showed that believing SES was attained through individual merit was positively associated with consumer acquisitiveness while believing SES was attained through opportunity was positively associated with consumer dissatisfaction. These findings suggest that different causal beliefs about SES attainment have unique implications for consumer perceptions and values.
M‐ENIAC: A Physics‐Informed Machine Learning Recreation of the First Successful Numerical Weather Forecasts
Authors: Brecht Rüdiger , Bihlo Alex
Published: May 2024

In 1950 the first successful numerical weather forecast was obtained by solving the barotropic vorticity equation using the Electronic Numerical Integrator and Computer (ENIAC), which marked the beginning of the age of numerical weather prediction. Here, we ask the question of how these numerical forecasts would have turned out, if machine learning based solvers had been used instead of standard numerical discretizations. Specifically, we recreate these numerical forecasts using physics‐informed neural networks. We show that physics‐informed neural networks provide an easier and more accurate methodology for solving meteorological equations on the sphere, as compared to the ENIAC solver.
Response of Southern Ocean Resource Stress in a Changing Climate
Authors: Anugerahanti Prima , Tagliabue Alessandro
Published: May 2024

Phytoplankton underpin ocean net primary production (NPP) and Southern Ocean phytoplankton display different ecological‐biogeochemical traits, compared to temperate species. Climate models currently forecast consistent across‐model NPP increases due to climate change, yet neglect specific aspects of the Southern Ocean ecological‐biogeochemical system. We conducted experiments to evaluate how key regional traits, including multiple limiting nutrients, unique photophysiology and differential resource acquisition, drive changes in the projected response of resource stress, NPP and export production under a high emissions scenario. Although Southern Ocean iron limitation is widespread, it declines in the future and is replaced by growing manganese limitation, as concentrations cannot support increasing growth rates. Distinct phytoplankton traits either amplify or dampen climate‐driven changes, depending on whether they are those typical of Antarctic or temperate phytoplankton, respectively. Overall, future Southern Ocean NPP trends may be more uncertain than currently assumed and future efforts should focus on accounting for regional ecological‐biogeochemical differences.
Bayesian Structure Learning for Climate Model Evaluation
Authors: O'Kane Terence J. , Harries Dylan , Collier Mark A.
Published: May 2024

A Bayesian structure learning approach is employed to compare and contrast interactions between the major climate teleconnections over the recent past as revealed in reanalyses and climate model simulations from leading Meteorological Centers. In a previous study, the authors demonstrated a general framework using homogeneous Dynamic Bayesian Network models constructed from reanalyzed time series of empirical climate indices to compare probabilistic graphical models. Reversible jump Markov Chain Monte Carlo is used to provide uncertainty quantification for selecting the respective network structures. The incorporation of confidence measures in structural features provided by the Bayesian approach is key to yielding informative measures of the differences between products if network‐based approaches are to be used for model evaluation, particularly as point estimates alone may understate the relevant uncertainties. Here we compare models fitted from the NCEP/NCAR and JRA‐55 reanalyses and Coupled Model Intercomparison Project version 5 (CMIP5) historical simulations in terms of associations for which there is high posterior confidence. Examination of differences in the posterior probabilities assigned to edges of the directed acyclic graph provides a quantitative summary of departures in the CMIP5 models from reanalyses. In general terms the climate model simulations are in better agreement with reanalyses where tropical processes dominate, and autocorrelation time scales are long. Seasonal effects are shown to be important when examining tropical‐extratropical interactions with the greatest discrepancies and largest uncertainties present for the Southern Hemisphere teleconnections.
Eocene Tectonic Uplifts Caused the Early Oligocene Intrusion of the Indian Monsoon Into the Tuotuohe Basin and the Increased Evaporation, Central‐Northern Tibet: Insights From the Oxygen Isotope Record
Authors: Li Leyi , Chang Hong
Published: May 2024

It is not clear how the Asian monsoon evolved after leaving the spatial range of the Intertropical Convergence Zone in the Late Eocene and before the modern‐like Asian monsoon formed at ∼26 Ma. In this study, the results of a well‐dated, robust, and continuous paleoenvironmental carbonate oxygen isotope record from the Tuotuohe section in the Tuotuohe Basin on the central–northern Tibetan Plateau indicate that the carbonate oxygen isotope showed positive bias at 30.5 Ma. Evidence concerning the temperature, precipitation, paleolatitude, paleoelevation, salt mines and global temperature changes at this time suggest that the positive oxygen isotope shift was mainly due to a combination of the intrusion of the Indian monsoon into the basin and increased evaporation, both of which were ultimately induced by the tectonic uplift of the Tuotuohe Basin before 30.5 Ma and the retreat of the Paratethys Sea after the Eocene.
On the Driving Factors of the Future Changes in the Wintertime Northern‐Hemisphere Atmospheric Waviness
Authors: Yamamoto Ayako , Martineau Patrick
Published: May 2024

Despite the significant socioeconomic implications in the link between atmospheric waviness and extreme weather events, future atmospheric waviness trends remain elusive due to uncertainties arising from diverse definitions and insufficient dynamical formalism in existing metrics. This study employs a local wave activity (LWA) metric, whose prognostic equation links wave activity changes to forcing mechanisms, to assess wintertime Northern Hemisphere waviness in ERA5 and HighResMIP data sets. The models generally exhibit high fidelity in reproducing observed waviness, while biases stem primarily from biases in the LWA source, low‐level meridional heat flux, which tend to improve with higher resolutions. Future projections exhibit reduction in LWA, primarily due to suppressed LWA generation, which is mitigated by higher‐resolution models. We found that both biases and reduction of the LWA source are closely associated with sensible heat fluxes from the ocean to the atmosphere, highlighting the potential impacts of resolving ocean currents.
Red Line Diffuse‐Like Aurora Driven by Time Domain Structures Associated With Braking Magnetotail Flow Bursts
Authors: Shen Yangyang , Liang Jun , Artemyev Anton , Angelopoulos Vassilis , Ma Qianli , Lyons Larry , Liu Jiang , Nishimura Yukitoshi , Zhang Xiao‐Jia , Vasko Ivan , Hampton Donald L.
Published: May 2024

Magnetotail earthward‐propagating fast plasma flows provide important pathways for magnetosphere‐ionosphere coupling. This study reexamines a flow‐related red‐line diffuse‐like aurora event previously reported by Liang et al. (2011, https://doi.org/10.1029/2010ja015867), utilizing THEMIS and ground‐based auroral observations from Poker Flat. We find that time domain structures (TDSs) within the flow bursts efficiently drive electron precipitation below a few keV, aligning with predominantly red‐line auroral intensifications in this non‐substorm event. The diffuse‐like auroras sometimes coexisted with or potentially evolved from discrete forms. We forward model red‐line diffuse auroras due to TDS‐driven precipitation, employing the time‐dependent TREx‐ATM auroral transport code. The good correlation (∼0.77) between our modeled and observed red line emissions underscores that TDSs are a primary driver of the red‐line diffuse‐like auroras, though whistler‐mode wave contributions are needed to fully explain the most intense red‐line emissions.
Incipient Subduction and Slip Partitioning at High Obliquity: The Haida Gwaii Plate Boundary
Authors: Oliva S. J. , Bostock M. G. , Schaeffer A. J. , Nissen E. , Merrill R. , Hughes A. , Roecker S. W. , Nedimovic M. R. , Roland E. , Worthington L. L. , Walton M. A. L. , Gase A.
Published: May 2024

Plate motion obliquity along the dominantly transform Queen Charlotte plate boundary (QCPB) peaks offshore Haida Gwaii. To investigate the effects of obliquity on plate boundary deformation, we analyze continuous seismic waveforms from temporary and permanent stations from 1998 to 2020 to generate a catalog of ∼50,000 earthquakes across Haida Gwaii. We use an automated technique based on auto‐regressive phase detection and onset estimation to obtain the initial seismic catalog, integrate existing catalogs, invert for 3D velocity structure using data from the best constrained period, and relocate the entire catalog using the new 3D velocity model. We investigate the seismically active sections of the transcurrent Queen Charlotte fault (QCF), noting that little seismicity locates directly along its bathymetrically defined trace. Instead, seismicity illuminates a complex system of segmented structures with variable geometries along strike. Other clusters highlight active shallow faults within the highly deformed Queen Charlotte terrace. Few aftershocks appear on the thrust plane of the 2012 Mw 7.8 Haida Gwaii earthquake except near its inferred intersection with the QCF at 15–20 km depths, suggesting elevated residual stress at the juncture of slip‐partitioning. Deep crustal seismicity (up to ∼20 km depths) beneath central Haida Gwaii aligned parallel to the strike of the thrust plane may represent landward underthrusting of the Pacific plate. Our results suggest possible coseismic strike‐slip rupture on the QCF during the 2012 earthquake and add support to the thesis that highly oblique transform boundaries are viable settings for subduction initiation.
Electrochemical protein biosensors for disease marker detection: progress and opportunities
Authors: Guo Lanpeng , Zhao Yunong , Huang Qing , Huang Jing , Tao Yanbing , Chen Jianjun , Li Hua-Yao , Liu Huan
Published: May 2024

The development of artificial intelligence-enabled medical health care has created both opportunities and challenges for next-generation biosensor technology. Proteins are extensively used as biological macromolecular markers in disease diagnosis and the analysis of therapeutic effects. Electrochemical protein biosensors have achieved desirable specificity by using the specific antibody–antigen binding principle in immunology. However, the active centers of protein biomarkers are surrounded by a peptide matrix, which hinders charge transfer and results in insufficient sensor sensitivity. Therefore, electrode-modified materials and transducer devices have been designed to increase the sensitivity and improve the practical application prospects of electrochemical protein sensors. In this review, we summarize recent reports of electrochemical biosensors for protein biomarker detection. We highlight the latest research on electrochemical protein biosensors for the detection of cancer, viral infectious diseases, inflammation, and other diseases. The corresponding sensitive materials, transducer structures, and detection principles associated with such biosensors are also addressed generally. Finally, we present an outlook on the use of electrochemical protein biosensors for disease marker detection for the next few years.
Higher habitual intakes of flavonoids and flavonoid-rich foods are associated with a lower incidence of type 2 diabetes in the UK Biobank cohort
Authors: Thompson Alysha S. , Jennings Amy , Bondonno Nicola P. , Tresserra-Rimbau Anna , Parmenter Benjamin H. , Hill Claire , Perez-Cornago Aurora , Kühn Tilman , Cassidy Aedín
Published: May 2024

Aim

To examine the associations of a diet high in flavonoid-rich foods, as reflected by a “Flavodiet Score” (FDS), the major individual food contributors to flavonoid intake, and flavonoid subclasses with type 2 diabetes (T2D) risk in the UK Biobank cohort.

Materials and methods

Flavonoid intakes were estimated from ≥2 dietary assessments among 113,097 study participants [age at enrolment: 56 ± 8 years; 57% female] using the U.S Department of Agriculture (USDA) databases. Multivariable Cox proportional hazards models were used to investigate associations between dietary exposures and T2D.

Results

During 12 years of follow-up, 2628 incident cases of T2D were identified. A higher FDS (compared to lower [Q4 vs. Q1]), characterised by an average of 6 servings of flavonoid-rich foods per day, was associated with a 26% lower T2D risk [HR: 0.74 (95% CI: 0.66–0.84), ptrend = <0.001]. Mediation analyses showed that lower body fatness and basal inflammation, as well as better kidney and liver function partially explain this association. In food-based analyses, higher intakes of black or green tea, berries, and apples were significantly associated with 21%, 15%, and 12% lower T2D risk. Among individual flavonoid subclasses, 19–28% lower risks of T2D were observed among those with the highest, compared to lowest intakes.

Conclusions

A higher consumption of flavonoid-rich foods was associated with lower T2D risk, potentially mediated by benefits to obesity/sugar metabolism, inflammation, kidney and liver function. Achievable increases in intakes of specific flavonoid-rich foods have the potential to reduce T2D risk.
The β-arrestin1/endothelin axis bolsters ovarian fibroblast-dependent invadosome activity and cancer cell metastatic potential
Authors: Del Rio Danila , Masi Ilenia , Caprara Valentina , Ottavi Flavia , Albertini Petroni Gabriele , Salvati Erica , Trisciuoglio Daniela , Giannitelli Sara Maria , Bagnato Anna , Mauri Emanuele , Spadaro Francesca , Rosanò Laura
Published: May 2024

Recruitment of fibroblasts to tumors and their activation into cancer-associated fibroblasts (CAFs) is a strategy used by tumor cells to direct extracellular matrix (ECM) remodeling, invasion, and metastasis, highlighting the need to investigate the molecular mechanisms driving CAF function. Endothelin-1 (ET-1) regulates the communication between cancer and stroma and facilitates the progression of serous ovarian cancer (SOC). By binding to Endothelin A (ETA) and B (ETB) receptors, ET-1 enables the recruitment of β-arrestin1 (β-arr1) and the formation of signaling complexes that coordinate tumor progression. However, how ET-1 receptors might “educate” human ovarian fibroblasts (HOFs) to produce altered ECM and promote metastasis remains to be elucidated. This study identifies ET-1 as a pivotal factor in the activation of CAFs capable of proteolytic ECM remodeling and the generation of heterotypic spheroids containing cancer cells with a propensity to metastasize. An autocrine/paracrine ET-1/ETA/BR/β-arr1 loop enhances HOF proliferation, upregulates CAF marker expression, secretes pro-inflammatory cytokines, and increases collagen contractility, and cell motility. Furthermore, ET-1 facilitates ECM remodeling by promoting the lytic activity of invadosome and activation of integrin β1. In addition, ET-1 signaling supports the formation of heterotypic HOF/SOC spheroids with enhanced ability to migrate through the mesothelial monolayer, and invade, representing metastatic units. The blockade of ETA/BR or β-arr1 silencing prevents CAF activation, invadosome function, mesothelial clearance, and the invasive ability of heterotypic spheroids. In vivo, therapeutic inhibition of ETA/BR using bosentan (BOS) significantly reduces the metastatic potential of combined HOFs/SOC cells, associated with enhanced apoptotic effects on tumor cells and stromal components. These findings support a model in which ET-1/β-arr1 reinforces tumor/stroma interaction through CAF activation and fosters the survival and metastatic properties of SOC cells, which could be counteracted by ETA/BR antagonists.
Need for standardization of Influenza A virus-induced cell death in vivo to improve consistency of inter-laboratory research findings
Authors: Oltean Teodora , Maelfait Jonathan , Saelens Xavier , Vandenabeele Peter
Published: May 2024

The involvement of necroptosis in the control of influenza A virus (IAV) infection has been reported in multiple studies. Downstream of the nucleic acid sensor ZBP1, RIPK3 kinase activity is critically involved in the induction of necroptotic cell death by phosphorylating MLKL, while RIPK3 as a scaffold can induce apoptosis. Paradoxically, RIPK3-deficiency of mice may result in increased or decreased susceptibility to IAV infection. Here, we critically review the published reports on the involvement of RIPK3 in IAV infection susceptibility and try to identify differences in experimental settings that could explain seemingly conflicting outcomes. Analysis of the experimental reports revealed differences in the IAV challenge dose, the IAV inoculum preparation, IAV titer assessment, as well as the route of inoculation between studies. Furthermore, differences were noticed in the inclusion of littermate controls, which show high variance in viral sensitivity. Our evaluation argues for a standardized setup for IAV infection experiments including the preparation of the IAV virus, the use of different IAV infectious doses description and the proper experimental genetic controls of the mouse strains to increase inter-laboratory consistency in this field.
The role of plasmacytoid dendritic cells (pDCs) in immunity during viral infections and beyond
Authors: Ngo Clémence , Garrec Clémence , Tomasello Elena , Dalod Marc
Published: May 2024

Type I and III interferons (IFNs) are essential for antiviral immunity and act through two different but complimentary pathways. First, IFNs activate intracellular antimicrobial programs by triggering the upregulation of a broad repertoire of viral restriction factors. Second, IFNs activate innate and adaptive immunity. Dysregulation of IFN production can lead to severe immune system dysfunction. It is thus crucial to identify and characterize the cellular sources of IFNs, their effects, and their regulation to promote their beneficial effects and limit their detrimental effects, which can depend on the nature of the infected or diseased tissues, as we will discuss. Plasmacytoid dendritic cells (pDCs) can produce large amounts of all IFN subtypes during viral infection. pDCs are resistant to infection by many different viruses, thus inhibiting the immune evasion mechanisms of viruses that target IFN production or their downstream responses. Therefore, pDCs are considered essential for the control of viral infections and the establishment of protective immunity. A thorough bibliographical survey showed that, in most viral infections, despite being major IFN producers, pDCs are actually dispensable for host resistance, which is achieved by multiple IFN sources depending on the tissue. Moreover, primary innate and adaptive antiviral immune responses are only transiently affected in the absence of pDCs. More surprisingly, pDCs and their IFNs can be detrimental in some viral infections or autoimmune diseases. This makes the conservation of pDCs during vertebrate evolution an enigma and thus raises outstanding questions about their role not only in viral infections but also in other diseases and under physiological conditions.
Post-COVID conditions following COVID-19 vaccination: a retrospective matched cohort study of patients with SARS-CoV-2 infection
Authors: Malden Debbie E. , Liu In-Lu Amy , Qian Lei , Sy Lina S. , Lewin Bruno J. , Asamura Dawn T. , Ryan Denison S. , Bezi Cassandra , Williams Joshua T. B. , Kaiser Robyn , Daley Matthew F. , Nelson Jennifer C. , McClure David L. , Zerbo Ousseny , Henninger Michelle L. , Fuller Candace C. , Weintraub Eric S. , Saydah Sharon , Tartof Sara Y.
Published: May 2024

COVID-19 vaccinations protect against severe illness and death, but associations with post-COVID conditions (PCC) are less clear. We aimed to evaluate the association between prior COVID-19 vaccination and new-onset PCC among individuals with SARS-CoV-2 infection across eight large healthcare systems in the United States. This retrospective matched cohort study used electronic health records (EHR) from patients with SARS-CoV-2 positive tests during March 2021-February 2022. Vaccinated and unvaccinated COVID-19 cases were matched on location, test date, severity of acute infection, age, and sex. Vaccination status was ascertained using EHR and integrated data on externally administered vaccines. Adjusted relative risks (RRs) were obtained from Poisson regression. PCC was defined as a new diagnosis in one of 13 PCC categories 30 days to 6 months following a positive SARS-CoV-2 test. The study included 161,531 vaccinated COVID-19 cases and 161,531 matched unvaccinated cases. Compared to unvaccinated cases, vaccinated cases had a similar or lower risk of all PCC categories except mental health disorders (RR: 1.06, 95% CI: 1.02–1.10). Vaccination was associated with ≥10% lower risk of sensory (RR: 0.90, 0.86–0.95), circulatory (RR: 0.88, 0.83–0.94), blood and hematologic (RR: 0.79, 0.71–0.89), skin and subcutaneous (RR: 0.69, 0.66–0.72), and non-specific COVID-19 related disorders (RR: 0.53, 0.51–0.56). In general, associations were stronger at younger ages but mostly persisted regardless of SARS-CoV-2 variant period, receipt of ≥3 vs. 1–2 vaccine doses, or time since vaccination. Pre-infection vaccination was associated with reduced risk of several PCC outcomes and hence may decrease the long-term consequences of COVID-19.
A modular framework for multi-scale tissue imaging and neuronal segmentation
Authors: Cauzzo Simone , Bruno Ester , Boulet David , Nazac Paul , Basile Miriam , Callara Alejandro Luis , Tozzi Federico , Ahluwalia Arti , Magliaro Chiara , Danglot Lydia , Vanello Nicola
Published: May 2024

The development of robust tools for segmenting cellular and sub-cellular neuronal structures lags behind the massive production of high-resolution 3D images of neurons in brain tissue. The challenges are principally related to high neuronal density and low signal-to-noise characteristics in thick samples, as well as the heterogeneity of data acquired with different imaging methods. To address this issue, we design a framework which includes sample preparation for high resolution imaging and image analysis. Specifically, we set up a method for labeling thick samples and develop SENPAI, a scalable algorithm for segmenting neurons at cellular and sub-cellular scales in conventional and super-resolution STimulated Emission Depletion (STED) microscopy images of brain tissues. Further, we propose a validation paradigm for testing segmentation performance when a manual ground-truth may not exhaustively describe neuronal arborization. We show that SENPAI provides accurate multi-scale segmentation, from entire neurons down to spines, outperforming state-of-the-art tools. The framework will empower image processing of complex neuronal circuitries.
Hippocampal sharp-wave ripples correlate with periods of naturally occurring self-generated thoughts in humans
Authors: Iwata Takamitsu , Yanagisawa Takufumi , Ikegaya Yuji , Smallwood Jonathan , Fukuma Ryohei , Oshino Satoru , Tani Naoki , Khoo Hui Ming , Kishima Haruhiko
Published: May 2024

Core features of human cognition highlight the importance of the capacity to focus on information distinct from events in the here and now, such as mind wandering. However, the brain mechanisms that underpin these self-generated states remain unclear. An emerging hypothesis is that self-generated states depend on the process of memory replay, which is linked to sharp-wave ripples (SWRs), which are transient high-frequency oscillations originating in the hippocampus. Local field potentials were recorded from the hippocampus of 10 patients with epilepsy for up to 15 days, and experience sampling was used to describe their association with ongoing thought patterns. The SWR rates were higher during extended periods of time when participants’ ongoing thoughts were more vivid, less desirable, had more imaginable properties, and exhibited fewer correlations with an external task. These data suggest a role for SWR in the patterns of ongoing thoughts that humans experience in daily life.
Abrupt onset of intensive human occupation 44,000 years ago on the threshold of Sahul
Authors: Shipton Ceri , Morley Mike W. , Kealy Shimona , Norman Kasih , Boulanger Clara , Hawkins Stuart , Litster Mirani , Withnell Caitlin , O’Connor Sue
Published: May 2024

Archaeological evidence attests multiple early dispersals of Homo sapiens out of Africa, but genetic evidence points to the primacy of a single dispersal 70-40 ka. Laili in Timor-Leste is on the southern dispersal route between Eurasia and Australasia and has the earliest record of human occupation in the eastern Wallacean archipelago. New evidence from the site shows that, unusually in the region, sediment accumulated in the shelter without human occupation, in the window 59–54 ka. This was followed by an abrupt onset of intensive human habitation beginning ~44 ka. The initial occupation is distinctive from overlying layers in the aquatic focus of faunal exploitation, while it has similarities in material culture to other early Homo sapiens sites in Wallacea. We suggest that the intensive early occupation at Laili represents a colonisation phase, which may have overwhelmed previous human dispersals in this part of the world.
Cystine-knot peptide inhibitors of HTRA1 bind to a cryptic pocket within the active site region
Authors: Li Yanjie , Wei Yuehua , Ultsch Mark , Li Wei , Tang Wanjian , Tombling Benjamin , Gao Xinxin , Dimitrova Yoana , Gampe Christian , Fuhrmann Jakob , Zhang Yingnan , Hannoush Rami N. , Kirchhofer Daniel
Published: May 2024

Cystine-knot peptides (CKPs) are naturally occurring peptides that exhibit exceptional chemical and proteolytic stability. We leveraged the CKP carboxypeptidase A1 inhibitor as a scaffold to construct phage-displayed CKP libraries and subsequently screened these collections against HTRA1, a trimeric serine protease implicated in age-related macular degeneration and osteoarthritis. The initial hits were optimized by using affinity maturation strategies to yield highly selective and potent picomolar inhibitors of HTRA1. Crystal structures, coupled with biochemical studies, reveal that the CKPs do not interact in a substrate-like manner but bind to a cryptic pocket at the S1’ site region of HTRA1 and abolish catalysis by stabilizing a non-competent active site conformation. The opening and closing of this cryptic pocket is controlled by the gatekeeper residue V221, and its movement is facilitated by the absence of a constraining disulfide bond that is typically present in trypsin fold serine proteases, thereby explaining the remarkable selectivity of the CKPs. Our findings reveal an intriguing mechanism for modulating the activity of HTRA1, and highlight the utility of CKP-based phage display platforms in uncovering potent and selective inhibitors against challenging therapeutic targets.
Organocatalytic skeletal reorganization for enantioselective synthesis of S-stereogenic sulfinamides
Authors: Liu Zanjiao , Fang Siqiang , Li Haoze , Xiao Chunxiu , Xiao Kai , Su Zhishan , Wang Tianli
Published: May 2024

The enantioselective synthesis of S-stereogenic sulfinamides has garnered considerable attention due to their structural and physicochemical properties. However, catalytic asymmetric synthesis of sulfinamides still remains daunting challenges, impeding their broad application in drug discovery and development. Here, we present an approach for the synthesis of S-stereogenic sulfinamides through peptide-mimic phosphonium salt-catalyzed asymmetric skeletal reorganization of simple prochiral and/or racemic sulfoximines. This methodology allows for the facile access to a diverse array of substituted sulfinamides with excellent enantioselectivities, accommodating various substituent patterns through desymmetrization or parallel kinetic resolution process. Mechanistic experiments, coupled with density functional theory calculations, clarify a stepwise pathway involving ring-opening and ring-closing processes, with the ring-opening step identified as crucial for achieving stereoselective control. Given the prevalence of S-stereogenic centers in pharmaceuticals, we anticipate that this protocol will enhance the efficient and precise synthesis of relevant chiral molecules and their analogs, thereby contributing to advancements in drug discovery.
Intermolecular interactions probed by rotational dynamics in gas-phase clusters
Authors: Lu Chenxu , Xu Long , Zhou Lianrong , Shi Menghang , Lu Peifen , Li Wenxue , Dörner Reinhard , Lin Kang , Wu Jian
Published: May 2024

The rotational dynamics of a molecule is sensitive to neighboring atoms or molecules, which can be used to probe the intermolecular interactions in the gas phase. Here, we real-time track the laser-driven rotational dynamics of a single N2 molecule affected by neighboring Ar atoms using coincident Coulomb explosion imaging. We find that the alignment trace of N-N axis decays fast and only persists for a few picoseconds when an Ar atom is nearby. We show that the decay rate depends on the rotational geometry of whether the Ar atom stays in or out of the rotational plane of the N2 molecule. Additionally, the vibration of the van der Waals bond is found to be excited through coupling with the rotational N-N axis. The observations are well reproduced by solving the time-dependent Schrödinger equation after taking the interaction potential between the N2 and Ar into consideration. Our results demonstrate that environmental effects on a molecular level can be probed by directly visualizing the rotational dynamics.
Large-scale spatially explicit analysis of carbon capture at cellulosic biorefineries
Authors: O’Neill Eric G. , Geissler Caleb H. , Maravelias Christos T.
Published: May 2024

The large-scale production of cellulosic biofuels would involve spatially distributed systems including biomass fields, logistics networks and biorefineries. Better understanding of the interactions between landscape-related decisions and the design of biorefineries with carbon capture and storage (CCS) in a supply chain context is needed to enable efficient systems. Here we analyse the cost and greenhouse gas mitigation potential for cellulosic biofuel supply chains in the US Midwest using realistic spatially explicit land availability and crop productivity data and consider fuel conversion technologies with detailed CCS design for their associated CO2 streams. Optimization methods identify trade-offs and design strategies leading to systems with attractive environmental and economic performance. Strategic and operational decisions depend on underlying spatial features and are sensitive to biofuel demand and CCS incentives. US CCS incentives neglect to motivate greenhouse gas mitigation from all supply chain emission sources, which leverage spatial interactions between CCS, electricity prices and the biomass landscape.
De novo transcriptome assembly of a lipoxygenase knock-down strain in the diatom Pseudo-nitzschia arenysensis
Authors: Marotta Pina , Sabatino Valeria , Ambrosino Luca , Miralto Marco , Ferrante Maria Immacolata
Published: May 2024

Diatoms are microalgae that live in marine and freshwater environments and are responsible for about 20% of the world’s carbon fixation. Population dynamics of these cells is finely regulated by intricate signal transduction systems, in which oxylipins are thought to play a relevant role. These are oxygenated fatty acids whose biosynthesis is initiated by a lipoxygenase enzyme (LOX) and are widely distributed in all phyla, including diatoms. Here, we present a de novo transcriptome obtained from the RNA-seq performed in the diatom species Pseudo-nitzschia arenysensis, using both a wild-type and a LOX-silenced strain, which will represent a reliable reference for comparative analyses within the Pseudo-nitzschia genus and at a broader taxonomic scale. Moreover, the RNA-seq data can be interrogated to go deeper into the oxylipins metabolic pathways.
A high-quality chromosome-level genome assembly of Ficus hirta
Authors: Huang Weicheng , Ding Yamei , Fan Songle , Liu Wanzhen , Chen Hongfeng , Segar Simon , Compton Stephen G. , Yu Hui
Published: May 2024

Ficus species (Moraceae) play pivotal roles in tropical and subtropical ecosystems. Thriving across diverse habitats, from rainforests to deserts, they harbor a multitude of mutualistic and antagonistic interactions with insects, nematodes, and pathogens. Despite their ecological significance, knowledge about the genomic background of Ficus remains limited. In this study, we report a chromosome-level reference genome of F. hirta, with a total size of 297.27 Mb, containing 28,625 protein-coding genes and 44.67% repeat sequences. These findings illuminate the genetic basis of Ficus responses to environmental challenges, offering valuable genomic resources for understanding genome size, adaptive evolution, and co-evolution with natural enemies and mutualists within the genus.
Welding-induced corrosion and protective measures for clad rebars in neutral chloride environments
Authors: Zhuang Zecheng , Lu Weiping , Zeng Lei , Tan Jianping , Qian Xuehai , Li Zhen , Jiang Wei , Xiang Yong
Published: May 2024

Corrosion-resistant steel plays a vital role in marine steel structures. This study developed an SS304/HRB400 stainless-steel-clad rebar for application in a cross-sea bridge in Zhejiang Province. CO2 gas shielded welding was employed in the prefabricated steel structure, with SS304 steel as the welding wire. This study investigated the welding on the corrosion resistance of clad rebars and explored corrosion protection measures for welded joints.The results indicated that refined grains appeared in both stainless steel and carbon steel due to distinct dynamic recrystallization (DRX) during welding. The corrosion resistance, as determined by potentiodynamic polarization curve analysis of the material’s interaction with the solution ranked as follows: clad rebar (polished) > clad rebar welding (CRW) > painting the clad rebar after welding (PCRW) > clad rebar (unpolished) > carbon-steel welding (CSW) > carbon-steel bar > cold spraying zinc after clad rebar welding (ZCRW). However, an accelerated corrosion test with four samples for 600 s with a corrosion current of 0.8 A revealed minimal corrosion damage on zinc-coated surfaces. Hence, welding joints for clad steel structures are considered feasible and must be subject to cold zinc spraying after polishing to enhance their corrosion resistance.
A comprehensive study on changes in coastal hydrodynamics associated with cyclonic activity
Authors: Salama Nada M. , Tonbol Kareem M. , ElKut Ahmed , ElBessa Mohamed , Kotroni Vassiliki
Published: May 2024

A Mediterranean cyclone is a weather phenomenon capable of producing extremely severe conditions, including heavy rainfall and strong winds. Between March 24 and 26, 2023, a cyclone passed along the western Egyptian Mediterranean coast, spanning three days. This paper aims to investigate the cyclone's impact on wave characteristics, focusing particularly on simulating changes in the energy transported from wind to waves during its passage, which constitutes the core objective of this study. The research methodology involved collecting meteorological and hydrodynamic data over five days from March 23 to 27, 2023, utilizing databases of the Bologna Limited Area Model (BOLAM) and the General Bathymetric Chart of the Oceans (GEBCO). This data, combined with field data for model calibration and validation, was analyzed using the Simulating the WAves Nearshore (SWAN) model packaged within the Delft 3D hydrodynamical model, integrated with other data manipulation tools. (SWAN) demonstrated the ability to simulate energy transport during extreme weather events along the coastal area with high resolution, up to 500 m. The results indicate a significant increase in significant wave height, reaching up to 2.5 m, and disturbances in wind direction, with velocities exceeding 10 m per second. These conditions pose risks to the infrastructure in some cities along the study area and have severe impacts on coastal communities. A notable finding from the simulations is the excess energy transport, which reached up to 12,000 watts per meter over the sea surface during the cyclone. Furthermore, calibration and validation results affirm the (SWAN) model's capability to accurately study wave characteristics.
The use of image analysis to study the effect of moisture content on the physical properties of grains
Authors: Gierz Łukasz , Al-Sammarraie Mustafa Ahmed Jalal , Özbek Osman , Markowski Piotr
Published: May 2024

Designing machines and equipment for post-harvest operations of agricultural products requires information about their physical properties. The aim of the work was to evaluate the possibility of introducing a new approach to predict the moisture content in bean and corn seeds based on measuring their dimensions using image analysis using artificial neural networks (ANN). Experimental tests were carried out at three levels of wet basis moisture content of seeds: 9, 13 and 17%. The analysis of the results showed a direct relationship between the wet basis moisture content and the main dimensions of the seeds. Based on the statistical analysis of the seed material, it was shown that the characteristics examined have a normal or close to normal distribution, and the seed material used in the investigation is representative. Furthermore, the use of artificial neural networks to predict the wet basis moisture content of seeds based on changes in their dimensions has an efficiency of 82%. The results obtained from the method used in this work are very promising for predicting the moisture content.
Quantifying combined effects of colistin and ciprofloxacin against Escherichia coli in an in silico pharmacokinetic-pharmacodynamic model
Authors: Zhao Chenyan , Kristoffersson Anders N. , Khan David D. , Lagerbäck Pernilla , Lustig Ulrika , Cao Sha , Annerstedt Charlotte , Cars Otto , Andersson Dan I. , Hughes Diarmaid , Nielsen Elisabet I. , Friberg Lena E.
Published: May 2024

Co-administering a low dose of colistin (CST) with ciprofloxacin (CIP) may improve the antibacterial effect against resistant Escherichia coli, offering an acceptable benefit-risk balance. This study aimed to quantify the interaction between ciprofloxacin and colistin in an in silico pharmacokinetic-pharmacodynamic model from in vitro static time-kill experiments (using strains with minimum inhibitory concentrations, MICCIP 0.023–1 mg/L and MICCST 0.5–0.75 mg/L). It was also sought to demonstrate an approach of simulating concentrations at the site of infection with population pharmacokinetic and whole-body physiologically based pharmacokinetic models to explore the clinical value of the combination when facing more resistant strains (using extrapolated strains with lower susceptibility). The combined effect in the final model was described as the sum of individual drug effects with a change in drug potency: for ciprofloxacin, concentration at half maximum killing rate (EC50) in combination was 160% of the EC50 in monodrug experiments, while for colistin, the change in EC50 was strain-dependent from 54.1% to 119%. The benefit of co-administrating a lower-than-commonly-administrated colistin dose with ciprofloxacin in terms of drug effect in comparison to either monotherapy was predicted in simulated bloodstream infections and pyelonephritis. The study illustrates the value of pharmacokinetic-pharmacodynamic modelling and simulation in streamlining rational development of antibiotic combinations.
Relationship among muscle strength, muscle endurance, and skeletal muscle oxygenation dynamics during ramp incremental cycle exercise
Authors: Nemoto Shinji , Nakabo Tohru , Tashiro Naonori , Kishino Asami , Yoshikawa Akira , Nakamura Daisuke , Geshi Eiichi
Published: May 2024

Peak oxygen uptake (VO2), evaluated as exercise tolerance, is a strong predictor of life prognosis regardless of health condition. Several previous studies have reported that peak VO2 is higher in those with a greater decrease in muscle oxygen saturation (SmO2) in the active muscles during incremental exercise. However, the skeletal muscle characteristics of individuals exhibiting a greater decrease in SmO2 during active muscle engagement in incremental exercise remain unclear. This study aimed to clarify the relationship among muscle strength, muscle endurance, and skeletal muscle oxygenation dynamics in active leg muscles during incremental exercise. Twenty-four healthy young men were included and categorized into the non-moderate-to-high muscular strength and endurance group (those with low leg muscle strength, endurance, or both; n = 11) and the moderate-to-high muscular strength and endurance group (those with both moderate-to-high leg muscle strength and endurance; n = 13). All participants underwent cardiopulmonary exercise testing combined with near-infrared spectroscopy to assess whole-body peak VO2 and the change in SmO2 at the lateral vastus lateralis from rest to each exercise stage as skeletal muscle oxygenation dynamics. A linear mixed-effects model, with the change in SmO2 from rest to each stage as the dependent variable, individual participants as random effects, and group and exercise load as fixed effects, revealed significant main effects for both group (P = 0.001) and exercise load (P < 0.001) as well as a significant interaction between the two factors (P < 0.001). Furthermore, multiple-comparison test results showed that the change in SmO2 from rest to 40%–100% peak VO2 was significantly higher in the moderate-to-high muscular strength and endurance group than in the non-moderate-to-high muscular strength and endurance group. Maintaining both muscle strength and endurance at moderate or higher levels contributes to high skeletal muscle oxygenation dynamics (i.e., greater decrease in SmO2) during moderate- or high-intensity exercise.
Towards a spatially resolved, single-ended TDLAS system for characterizing the distribution of gaseous species
Authors: Hansemann C. , Bonarens M. , Emmert J. , Daun K. J. , Wagner S.
Published: May 2024

Many applications require diagnostics that can quantify the distribution of chemical gas species and gas temperature along a single line-of-sight, which is challenging in process environments with limited optical access. To this end, we present an approach that combines time-of-flight Light Detection and Ranging (LiDAR) with Tunable Diode Laser Absorption Spectroscopy (TDLAS) to scan individual gas molecular transition lines. This method is applicable in situations where scattering objects are distributed along the beam path, such as solid fuel combustion, or when dealing with multiple gas volumes separated by weakly reflecting windows. The approach is demonstrated through simulation studies and an initial experimental proof of concept for separated gas volumes.
Green synthesis of silver nanoparticle prepared with Ocimum species and assessment of anticancer potential
Authors: Alex Asha Monica , Subburaman Senthilkumar , Chauhan Shikha , Ahuja Vishal , Abdi Gholamreza , Tarighat Maryam Abbasi
Published: May 2024

Silver nanoparticles (AgNPs) have gained much attention due to their unique physical, and chemical properties. Integration of phytochemicals in nanoformulation might have higher applicability in healthcare. Current work demonstrates the synthesis of green AgNPs withO. gratissimum(gr-AgNPs)O. tenuiflorum(te-AgNPs) andO. americanum(am-AgNPs) followed by an evaluation of their antimicrobial and anticancer properties. SEM analysis revealed spherical-shaped particles with average particle sizes of 69.0 ± 5 nm for te-AgNPs, 46.9 ± 9 nm for gr-AgNPs, and 58.5 ± 18.7 nm for am-AgNPs with a polydispersity index below 0.4. The synthesized am-AgNPs effectively inhibitedKlebsiella pneumonia,Escherichia coli,Staphylococcus aureus, Aspergillus niger,andCandida albicanswith 23 ± 1.58 mm, 20 ± 1.68 mm, 22 ± 1.80 mm, 26 ± 1.85 mm, and 22 ± 1.40 nm of zone of inhibition respectively.Synthesized AgNPs also induced apoptotic cell death in MCF-7 in concentration-dependent manner. IC50values for am-AgNPs, te-AgNPs, and gr-AgNPs were 14.78 ± 0.89 µg, 18.04 ± 0.63 and 15.41 ± 0.37 µg respectively which suggested that am-AgNPs were the most effective against cancer. At higher dose size (20 µg) AgNPs were equally effective to commercial standard Doxorubicin (DOX). In comparison to te-AgNPs and gr-AgNPs, am-AgNPs have higher in vitro anticancer and antimicrobial effects. The work reportedOcimum americanumfor its anticancer properties with chemical profile (GCMS) and compared it with earlier reported species. The activity against microbial pathogens and selected cancer cells clearly depicted that these species have distinct variations in activity. The results have also emphasized on higher potential of biogenic silver nanoparticles in healthcare but before formulation of commercial products, detailed analysis is required with human and animal models.
The impact of elevated sulfur and nitrogen levels on cadmium tolerance in Euglena species
Authors: Kennedy Victoria , Kaszecki Emma , Donaldson Michael E. , Saville Barry J.
Published: May 2024

Heavy metal (HM) pollution threatens human and ecosystem health. Current methods for remediating water contaminated with HMs are expensive and have limited effect. Therefore, bioremediation is being investigated as an environmentally and economically viable alternative. Freshwater protists Euglena gracilis and Euglena mutabilis were investigated for their tolerance to cadmium (Cd). A greater increase in cell numbers under Cd stress was noted for E. mutabilis but only E. gracilis showed an increase in Cd tolerance following pre-treatment with elevated concentrations of S or N. To gain insight regarding the nature of the increased tolerance RNA-sequencing was carried out on E. gracilis. This revealed transcript level changes among pretreated cells, and additional differences among cells exposed to CdCl2. Gene ontology (GO) enrichment analysis reflected changes in S and N metabolism, transmembrane transport, stress response, and physiological processes related to metal binding. Identifying these changes enhances our understanding of how these organisms adapt to HM polluted environments and allows us to target development of future pre-treatments to enhance the use of E. gracilis in bioremediation relating to heavy metals.