bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adaptive constraints by morphological operations for single-shot digital holography
Authors: Xu Danlin , Huang Zhengzhong , Cao Liangcai 
Published: June 2023

AbstractDigital holography provides access to quantitative measurement of the entire complex field, which is indispensable for the investigation of wave-matter interactions. The emerging iterative phase retrieval approach enables to solve the inverse imaging problem only from the given intensity measurements and physical constraints. However, enforcing imprecise constraints limits the reconstruction accuracy and convergence speed. Here, we propose an advanced iterative phase retrieval framework for single-shot in-line digital holography that incorporates adaptive constraints, which achieves optimized convergence behavior, high-fidelity and twin-image-free reconstruction. In conjunction with morphological operations which can extract the object structure while eliminating the irrelevant part such as artifacts and noise, adaptive constraints allow the support region to be accurately estimated and automatically updated at each iteration. Numerical reconstruction of complex-valued objects and the capability of noise immunity are investigated. The improved reconstruction performance of this approach is experimentally validated. Such flexible and versatile framework has promising applications in biomedicine, X-ray coherent diffractive imaging and wavefront sensing.
AiKPro: deep learning model for kinome-wide bioactivity profiling using structure-based sequence alignments and molecular 3D conformer ensemble descriptors
Authors: Park Hyejin , Hong Sujeong , Lee Myeonghun , Kang Sungil , Brahma Rahul , Cho Kwang-Hwi , Shin Jae-Min 
Published: June 2023

AbstractThe discovery of selective and potent kinase inhibitors is crucial for the treatment of various diseases, but the process is challenging due to the high structural similarity among kinases. Efficient kinome-wide bioactivity profiling is essential for understanding kinase function and identifying selective inhibitors. In this study, we propose AiKPro, a deep learning model that combines structure-validated multiple sequence alignments and molecular 3D conformer ensemble descriptors to predict kinase-ligand binding affinities. Our deep learning model uses an attention-based mechanism to capture complex patterns in the interactions between the kinase and the ligand. To assess the performance of AiKPro, we evaluated the impact of descriptors, the predictability for untrained kinases and compounds, and kinase activity profiling based on odd ratios. Our model, AiKPro, shows good Pearson’s correlation coefficients of 0.88 and 0.87 for the test set and for the untrained sets of compounds, respectively, which also shows the robustness of the model. AiKPro shows good kinase-activity profiles across the kinome, potentially facilitating the discovery of novel interactions and selective inhibitors. Our approach holds potential implications for the discovery of novel, selective kinase inhibitors and guiding rational drug design.
Attitudinal analysis of vaccination effects to lead endemic phases
Authors: Ku Donggyun , Kim Gahyun , Peck Kyong Ran , Park In Kwon , Chang Rakwoo , Kim Donghan , Lee Seungjae 
Published: June 2023

AbstractTo achieve endemic phases, repeated vaccinations are necessary. However, individuals may grapple with whether to get vaccinated due to potential side effects. When an individual is already immune due to previous infections or vaccinations, the perceived risk from vaccination is often less than the risk of infection. Yet, repeated rounds of vaccination can lead to avoidance, impeding the establishment of endemic phases. We explore this phenomenon using an individual-based Monte Carlo simulation, validating our findings with game theory. The Nash equilibrium encapsulates individuals' non-cooperative behavior, while the system's optimal value represents the societal benefits of altruistic cooperation. We define the difference between these as the price of anarchy. Our simulations reveal that the price of anarchy must fall below a threshold of 12.47 for endemic phases to be achieved in a steady state. This suggests that for a basic reproduction number of 10, a consistent vaccination rate greater than 89% is required. These findings offer new insights into vaccination-related decision-making and can inform effective strategies to tackle infectious diseases.
Enyne acetogenins from Porcelia macrocarpa displayed anti-Trypanosoma cruzi activity and cause a reduction in the intracellular calcium level
Authors: Thevenard Fernanda , Brito Ivanildo A. , Costa-Silva Thais A. , Tempone Andre G. , Lago João Henrique G. 
Published: June 2023

AbstractNatural products are a promising source of new compounds with a wide spectrum of pharmacological properties, including antiprotozoal activities. Chagas disease, caused by the protozoan parasite Trypanosoma cruzi, is one of several neglected tropical diseases with reduced options for treatment, which presents limitations such as toxicity and ineffectiveness in the chronic stage of the disease. Aiming to investigate the Brazilian flora for the discovery of new anti-T. cruzi compounds, the MeOH extract from Porcelia macrocarpa R.E. Fries (Annonaceae) fruit peels displayed potent activity against trypomastigotes and intracellular amastigotes and was subjected to bioactivity-guided fractionation. Using different chromatographic steps, a fraction composed of a mixture of four new chemically related acetogenins was obtained. The compounds were characterized as (2S*,3R*,4R*)-3-hydroxy-4-methyl-2-(n-octadeca-13′,17′-dien-11′-inil)butanolide (1), (2S*,3R*,4R*)-3-hydroxy-4-methyl-2-(n-eicosa-13′,19′-dien-11′-inil)butanolide (2), (2S*,3R*,4R*)-3-hydroxy-4-methyl-2-(n-octadec-13′-en-11′-inil)butanolide (3), and (2S*,3R*,4R*)-3-hydroxy-4-methyl-2-(n-eicosa-13′-en-11′-inil)butanolide (4) by NMR analysis and UHPLC/ESI-HRMS data. The mixture of compounds 1–4, displayed an EC50 of 4.9 and 2.5 µg/mL against trypomastigote and amastigote forms of T. cruzi, respectively, similar to the standard drug benznidazole (EC50 of 4.8 and 1.4 µg/mL). Additionally, the mixture of compounds 1–4 displayed no mammalian toxicity for murine fibroblasts (CC50 > 200 µg/mL), resulting in a SI > 40.8 and > 83.3 against trypomastigotes and amastigotes, respectively. Based on these results, the mechanism of action of this bioactive fraction was investigated. After a short-time incubation with the trypomastigotes, no alterations in the cell membrane permeability were observed. However, it was verified a decrease in the intracellular calcium of the parasites, without significant pH variations of the acidocalcisomes. The intracellular damages were followed by an upregulation of the reactive oxygen species and ATP, but no depolarization effects were observed in the mitochondrial membrane potential. These data suggest that the mixture of compounds 1–4 caused an irreversible oxidative stress in the parasites, leading to death. If adequately studied, these acetogenins can open new insights for the discovery of new routes of death in T. cruzi.
Maternal acrylamide exposure changes intestinal epithelium, immunolocalization of leptin and ghrelin and their receptors, and gut barrier in weaned offspring
Authors: Muszyński Siemowit , Hułas-Stasiak Monika , Dobrowolski Piotr , Arciszewski Marcin B. , Hiżewska Ligia , Donaldson Janine , Mozel Sylwia , Rycerz Karol , Kapica Małgorzata , Puzio Iwona , Tomaszewska Ewa 
Published: June 2023

AbstractAcrylamide (ACR) is an amide formed as a byproduct in many heat-processed starchy-rich foods. In utero ACR exposure has been associated with restricted fetal growth, but its effects of postnatal functional development of small intestine is completely unknown. The current study investigated the time- and segment-dependent effects of prenatal ACR exposure on morphological and functional development of small intestine in weaned rat offspring. Four groups of pregnant female Wistar rats were exposed to ACR (3 mg/kg b.w./day) for 0, 5, 10 and 15 days during pregnancy. Basal intestinal morphology, immunolocalization of gut hormones responsible for food intake and proteins of intestinal barrier, activity of the intestinal brush border disaccharidases, apoptosis and proliferation in intestinal mucosa were analyzed in offspring at weaning (postnatal day 21). The results showed that in utero ACR exposure disturbs offspring gut structural and functional postnatal development in a time- and segment-depended manner and even a short prenatal exposure to ACR resulted in changes in intestinal morphology, immunolocalization of leptin and ghrelin and their receptors, barrier function, activity of gut enzymes and upregulation of apoptosis and proliferation. In conclusion, prenatal ACR exposure disturbed the proper postnatal development of small intestine.
Impact of satellite thickness data assimilation on bias reduction in Arctic sea ice concentration
Authors: Lee Jeong-Gil , Ham Yoo-Geun 
Published: June 2023

AbstractThe impact of assimilating satellite-retrieved Arctic sea ice thickness (SIT) on simulating sea ice concentration (SIC) climatology in CICE5 is examined using a data assimilation (DA) system based on the ensemble optimal interpolation. The DA of the SIT satellite data of CryoSat-2 and SMOS during 2011–2019 significantly reduces the climatological bias of SIC and SIT in both sea ice melting and growing seasons. Moreover, the response of SIC to SIT change is strongly dependent on the seasons and latitudinal locations. The SIT in the inner ice zone thickens due to the SIT DA during the boreal winter wherein the SIT observation is available; the ice melting throughout the subsequent seasons is attenuated to increase SIC during the boreal summer to reduce the simultaneous SIC bias. In marginal ice zones, the positive SIT bias depicted in the control simulation is significantly reduced by SIT DA, which reduces the positive SIC bias. The idealized experiments of reducing the SIT show that the enhanced ice bottom melting process plays a crucial role in reducing the SIC; the prescribed SIT thinning increases the ice bulk salinity due to the weak gravity drainage of brine and increases the ice bulk temperature due to the decrease of the sea ice albedo. The augmentation of the ice salinity and temperature contributes to the shrinkage of the ice enthalpy, boosting the bottom melting process, which leads to SIC decrease.
Structural and dynamical investigation of histone H2B in well-hydrated nucleosome core particles by solid-state NMR
Authors: Shi Xiangyan , Kannaian Bhuvaneswari , Prasanna Chinmayi , Soman Aghil , Nordenskiöld Lars 
Published: June 2023

AbstractH2A-H2B dimer is a key component of nucleosomes and an important player in chromatin biology. Here, we characterized the structure and dynamics of H2B in precipitated nucleosome core particles (NCPs) with a physiologically relevant concentration using solid-state NMR. Our recent investigation of H3-H4 tetramer determined its unique dynamic properties and the present work provides a deeper understanding of the previously observed dynamic networks in NCP that is potentially functionally significant. Nearly complete 13C, 15N assignments were obtained for H2B R30-A121, which permit extracting unprecedented detailed structural and amino-acid site-specific dynamics. The derived structure of H2B in the well-hydrated NCP sample agrees well with that of X-ray crystals. Dynamics at different timescales were determined semi-quantitatively for H2B in a site-specific manner. Particularly, higher millisecond-microsecond dynamics are observed for H2B core regions including partial α1, L1, partial α2, and partial L3. The analysis of these regions in the context of the tertiary structure reveals the clustering of dynamical residues. Overall, this work fills a gap to a complete resonance assignment of all four histones in nucleosomes and delineates that the dynamic networks in NCP extend to H2B, which suggests a potential mechanism to couple histone core with distant DNA to modulate the DNA activities.
Thermochemical oxidation of methane by manganese oxides in hydrothermal sediments
Authors: Huang Qin , Jiang Shao-Yong , Pi Dao-Hui , Konhauser Kurt O. , Wen Xing-Ping , Lu Liu-Yi , Yan Hao 
Published: June 2023

AbstractMicrobial anaerobic oxidation of methane coupled to the reduction of Mn(IV)-oxides, typically MnO2, derived from continental weathering and riverine transport has been proposed as a globally important sink of methane. However, the potential role of hydrothermal Mn(IV) oxide-rich sediments as a methane sink, and the mechanisms of underpinning methane oxidation at high-temperature hydrothermal fields remain poorly understood. Here, we report the occurrence of almost pure rhodochrosite with extremely negative δ13CPDB values (as low as –76.4‰) in direct association with hausmannite formed through hydrothermal activity in the Late Triassic Heqing Mn deposit in Southern China. Based on detailed petrography and geochemistry, this rhodochrosite is interpreted as the result of the thermochemical oxidation of methane by hausmannite during early diagenesis. Given high hydrothermal Mn2+ and CH4 release coupled to low sulfate concentration observed in the Archean oceans, we propose that hydrothermal Mn(IV) oxides may have been effective methane sinks in Earth’s ancient oceans.
Interkingdom interaction: the soil isopod Porcellio scaber stimulates the methane-driven bacterial and fungal interaction
Authors: Heffner Tanja , Brami Semi A , Mendes Lucas W , Kaupper Thomas , Hannula Emilia S , Poehlein Anja , Horn Marcus A , Ho Adrian 
Published: June 2023

Abstract
Porcellio scaber (woodlice) are (sub-)surface-dwelling isopods, widely recognized as “soil bioengineers”, modifying the edaphic properties of their habitat, and affecting carbon and nitrogen mineralization that leads to greenhouse gas emissions. Yet, the impact of soil isopods on methane-cycling processes remains unknown. Using P. scaber as a model macroinvertebrate in a microcosm study, we determined how the isopod influences methane uptake and the associated interaction network in an agricultural soil. Stable isotope probing (SIP) with 13C-methane was combined to a co-occurrence network analysis to directly link activity to the methane-oxidizing community (bacteria and fungus) involved in the trophic interaction. Compared to microcosms without the isopod, P. scaber significantly induced methane uptake, associated to a more complex bacteria-bacteria and bacteria-fungi interaction, and modified the soil nutritional status. Interestingly, 13C was transferred via the methanotrophs into the fungi, concomitant to significantly higher fungal abundance in the P. scaber-impacted soil, indicating that the fungal community utilized methane-derived substrates in the food web along with bacteria. Taken together, results showed the relevance of P. scaber in modulating methanotrophic activity with implications for bacteria-fungus interaction.
Electrochemical reduction of carbon dioxide to multicarbon (C2+) products: challenges and perspectives
Authors: Chang Bin , Pang Hong , Raziq Fazal , Wang Sibo , Huang Kuo-Wei , Ye Jinhua , Zhang Huabin 
Published: June 2023

This review analyzes advanced catalysts and C2+ synthesis mechanisms based on theoretical explorations and in situ/operando characterizations. Triphasic interface optimization is discussed for the potential of industry-compatible stability.
Dispersion characteristics of switching transients from large‐scale experiments in a 1100 kV gas insulated switchgear circuit
Authors: Teng Zihan , Chen Weijiang , Zhang Jiangong , Wan Baoquan , Zhao Jun , Li Kejie , Liao Zhenghai , Gan Zheyuan 
Published: June 2023

AbstractThe switching operation of gas insulated switchgear (GIS) disconnector will produce multiple random spark discharges between the gas gaps of the disconnector. Each spark discharge can be affected by various random factors, such as trapped charge on the load side, the initial operating phase, gap distance and operating speed of the disconnector, leading to dispersion characteristics. At present, some studies have mentioned this dispersion, but its impact is still unclear due to the lack of experimental data, resulting in a deviation between the simulation results and the measured results. In this study, thousands of switching operations were carried out based on the 1100 kV full‐scale GIS circuit in Wuhan ultra‐high voltage alternating current Test Base. The maximal information coefficient analysis, linear regression fitting and other statistical methods were used to discuss the dispersion characteristics of very fast transient overvoltage (VFTO) and transient enclosure voltage (TEV) from large‐scale experimental data. The results show that the dispersion of VFTO and TEV in amplitude aspects both increase gradually as the breakdown voltage increases, with the maximum difference of five times of TEV amplitude at normalised breakdown voltage. In terms of frequency characteristics, the dispersion of different frequency components in TEV is always greater than that of VFTO, especially for the high‐frequency components. Moreover, by comparing the frequency characteristics of TEV at different positions, we notice that the dispersion is almost independent of the spatial position but only determined by the randomness of spark discharges. These discoveries reveal the importance of the dispersion in switching transients and make up for the lack of theoretical understanding of the correlation among them.
Artificial Intelligence in Facial Plastic Surgery: A Review of Current Applications, Future Applications, and Ethical Considerations
Authors: Choi Elizabeth , Leonard Kyle W. , Jassal Japnam S. , Levin Albert M. , Ramachandra Vikas , Jones Lamont R. 
Published: June 2023

AbstractFrom virtual chat assistants to self-driving cars, artificial intelligence (AI) is often heralded as the technology that has and will continue to transform this generation. Among widely adopted applications in other industries, its potential use in medicine is being increasingly explored, where the vast amounts of data present in electronic health records and need for continuous improvements in patient care and workflow efficiency present many opportunities for AI implementation. Indeed, AI has already demonstrated capabilities for assisting in tasks such as documentation, image classification, and surgical outcome prediction. More specifically, this technology can be harnessed in facial plastic surgery, where the unique characteristics of the field lends itself well to specific applications. AI is not without its limitations, however, and the further adoption of AI in medicine and facial plastic surgery must necessarily be accompanied by discussion on the ethical implications and proper usage of AI in healthcare. In this article, we review current and potential uses of AI in facial plastic surgery, as well as its ethical ramifications.
Fibrin Clot Properties in Cancer: Impact on Cancer-Associated Thrombosis
Authors: Ząbczyk Michał , Undas Anetta 
Published: June 2023

AbstractCancer is associated with a high risk of venous thromboembolism (VTE) and its recurrence. There is evidence that the prothrombotic fibrin clot phenotype, involving the formation of denser and stiffer clots relatively resistant to lysis, occurs in cancer patients, which is in part related to enhanced inflammation, oxidative stress, and coagulation activation, along with the release of neutrophil extracellular traps, indicating that fibrin-related mechanisms might contribute to cancer-associated thrombosis (CAT). Multiple myeloma and its therapy have been most widely explored in terms of altered fibrin characteristics, but prothrombotic fibrin clot features have also been reported in patients with active solid cancer, including lung cancer and gastrointestinal cancer. Patient-related factors such as advanced age, smoking, and comorbidities might also affect fibrin clot characteristics and the risk of CAT. Prothrombotic fibrin clot features have been shown to predict the detection of cancer in patients following VTE during follow-up. Cancer-specific therapies and anticoagulation can favorably modify the phenotype of a fibrin clot, which may alter the course of CAT. It is unclear whether the fibrin clot phenotype might help identify patients with CAT who are more likely to experience recurrent events. This narrative review summarizes the current knowledge on the role of fibrin clot structure and function in cancer patients in the context of CAT.
Bilateral comparison of 10 pF and 100 pF standards (ongoing BIPM key comparisons BIPM.EM-K14.a and 14.b) between the NMIM (Malaysia) and the BIPM
Authors: Moreno J A , Gournay P , Dewi M K 
Published: June 2023

Main text
This report presents the results of a bilateral comparison between the NMIM, Malaysia, and the BIPM, which was carried out using two 10 pF and two 100 pF travelling standards belonging to the BIPM, following an "A-B-A" pattern. The comparison at 10 pF forms part of the ongoing BIPM key comparison BIPM.EM-K14.a and that at 100 pF of the ongoing BIPM key comparison BIPM.EM-K14.b, where BIPM is the pilot laboratory for both comparisons.
The standards were measured during a total time of 19 weeks, from February 2022 to June 2022. The measurand of this comparison was the two terminal-pair capacitance of the travelling capacitors at frequencies of 1000 Hz and 1592 Hz, and a measuring voltage of 15 V (rms) for the 10 pF standards and 10 V for the 100 pF standards.
The results from the NMIM and the BIPM agree within a difference smaller than the relative expanded uncertainty of the comparison, which is dominated by the NMIM extrapolation of the BIPM calibrations, and to the use of a digital capacitance bridge to support the surveillance of the standards through periodical intermediate checks.
To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.
The final report has been peer-reviewed and approved for publication by the CCEM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Experimental determination of dispersion diagrams over large frequency ranges for guided ultrasonic waves in fiber metal laminates
Authors: Barth Tilmann , Wiedemann Johannes , Roloff Thomas , Behrens Tim , Rauter Natalie , Hühne Christian , Sinapius Michael , Lammering Rolf 
Published: June 2023

Abstract
Fiber metal laminates (FMLs) are of high interest for lightweight structures as they combine the advantageous material properties of metals and fiber-reinforced polymers (FRPs). However, low-velocity impacts can lead to complex internal damage. Therefore, structural health monitoring with guided ultrasonic waves (GUWs) is a methodology to identify such damage. Numerical simulations form the basis for corresponding investigations, but experimental validation of dispersion diagrams over a wide frequency range is hardly found in the literature. In this work the dispersive relation of GUWs is experimentally determined for an FML made of carbon FRP and steel. For this purpose, multi-frequency excitation signals are used to generate GUWs and the resulting wave field is measured via laser scanning vibrometry. The data are processed by means of a non-uniform discrete 2d Fourier transform and analyzed in the frequency-wavenumber domain. The experimental data are in excellent agreement with data from a numerical solution of the analytical framework. In conclusion, this work presents a highly automatable method to experimentally determine dispersion diagrams of GUWs in FML over large frequency ranges with high accuracy.