bluuebunny/crossref_metadata_2025 huggingface dataset:
Multiple-pathways light modulation in Pleurosigma strigosum bi-raphid diatom
Authors: De Tommasi Edoardo , Rea Ilaria , Ferrara Maria Antonietta , De Stefano Luca , De Stefano Mario , Al-Handal Adil Y. , Stamenković Marija , Wulff Angela
Published: March 2024

Ordered, quasi-ordered, and even disordered nanostructures can be identified as constituent components of several protists, plants and animals, making possible an efficient manipulation of light for intra- and inter- species communication, camouflage, or for the enhancement of primary production. Diatoms are ubiquitous unicellular microalgae inhabiting all the aquatic environments on Earth. They developed, through tens of millions of years of evolution, ultrastructured silica cell walls, the frustules, able to handle optical radiation through multiple diffractive, refractive, and wave-guiding processes, possibly at the basis of their high photosynthetic efficiency. In this study, we employed a range of imaging, spectroscopic and numerical techniques (including transmission imaging, digital holography, photoluminescence spectroscopy, and numerical simulations based on wide-angle beam propagation method) to identify and describe different mechanisms by which Pleurosigma strigosum frustules can modulate optical radiation of different spectral content. Finally, we correlated the optical response of the frustule to the interaction with light in living, individual cells within their aquatic environment following various irradiation treatments. The obtained results demonstrate the favorable transmission of photosynthetic active radiation inside the cell compared to potentially detrimental ultraviolet radiation.
The microcirculation in the first days of ICU admission in critically ill COVID-19 patients is influenced by severity of disease
Authors: Brouwer Fleur , Ince Can , Pols Jiska , Uz Zühre , Hilty Matthias Peter , Arbous Mendi Sesmu
Published: March 2024

The objective of this study was to investigate the relationship between sublingual microcirculatory parameters and the severity of the disease in critically ill coronavirus disease 2019 (COVID-19) patients in the initial period of Intensive Care Unit (ICU) admission in a phase of the COVID-19 pandemic where patients were being treated with anti-inflammatory medication. In total, 35 critically ill COVID-19 patients were included. Twenty-one critically ill COVID-19 patients with a Sequential Organ Failure Assessment (SOFA) score below or equal to 7 were compared to 14 critically ill COVID-19 patients with a SOFA score exceeding 7. All patients received dexamethasone and tocilizumab at ICU admission. Microcirculatory measurements were performed within the first five days of ICU admission, preferably as soon as possible after admission. An increase in diffusive capacity of the microcirculation (total vessel density, functional capillary density, capillary hematocrit) and increased perfusion of the tissues by red blood cells was found in the critically ill COVID-19 patients with a SOFA score of 7–9 compared to the critically ill COVID-19 patients with a SOFA score ≤ 7. No such effects were found in the convective component of the microcirculation. These effects occurred in the presence of administration of anti-inflammatory medication.
Deep learning-based forecasting of electricity consumption
Authors: Qureshi Momina , Arbab Masood Ahmad , Rehman Sadaqat ur
Published: March 2024

Building energy management systems (BEMS) are integrated computerized systems that track and manage the energy use of many pieces of building-related machinery and equipment, including lighting, power systems, and HVAC systems. Modern buildings must have BEMSs in order to reduce energy usage while maintaining comfort. Not only for energy-saving purposes, BEMS is essential in enhancing the quality of the energy supply, which helps to gain a better understanding of how energy is used and the building's energy usage. When the dynamics of a building's energy usage are known, it is possible to determine which changes are most likely to reduce consumption. Numerous connected devices, operating modes, energy usage, and environmental factors can all be monitored and controlled in real-time using BEMS. Changing operating times and setting points to maximize comfort and efficiency is made simple by this. In this paper, we have primarily addressed the two significant issues of model optimization and electricity consumption forecasts. Future forecasting has been done using the LSTM based time series approach. We generated data on the amount of electricity consumed by a hospital facility and tested our suggested methodologies on actual data. The findings gained demonstrated that the strategies were successful with both types of data. On actual data, the trend in electricity consumption can be accurately predicted. Several model optimizers enhanced the suggested methods' performance as well. Our objective function gain accuracy result of 95%.
Association between DCP levels and kidney stone prevalence in US female adults based on NHANES data
Authors: Liu Heqian , Wang Jiawei , Tao Lingsong , Hao Yunwu
Published: March 2024

Our study aimed to evaluate the correlation between levels of 2,4-DCP(2,4-Dichlorophenol) and 2,5-DCP(2,5-Dichlorophenol) and the prevalence of kidney stones in US female adults. Participants were chosen from the National Health and Nutrition Examination Survey database, spanning the years 2007–2016. Dose–response curves were analyzed using logistic regression, subgroup analyses, and other statistical methods to evaluate the relationship between 2,4-DCP and 2,5-DCP levels and the prevalence of kidney stones. The final study included 3220 participants aged over 20 years, with 252 females reporting a history of kidney stones. After accounting for all interfering variables, we found that every 0.1 ug/ml increase in 2.4-DCP correlated with a 1% rise in kidney stone prevalence (OR = 1.01, 95% CI 1.00, 1.01), whereas the same increase in 2.5-DCP was linked to a 27% growth in prevalence (OR = 1.27, 95% CI 1.01, 1.61). Sensitivity analysis was performed by triangulating 2,4-DCP and 2,5-DCP levels. The dose–response curves demonstrated a linear positive relationship between 2,4-DCP and 2,5-DCP levels and the risk of stone development. Our findings indicate a positive correlation between 2,4-DCP and 2,5-DCP levels and the prevalence of kidney stones in US female adults. This association is of clinical significance; however, a direct causal relationship cannot be definitively established.
Using optically pumped magnetometers to replicate task-related responses in next generation magnetoencephalography
Authors: Safar Kristina , Vandewouw Marlee M. , Sato Julie , Devasagayam Jasen , Hill Ryan M. , Rea Molly , Brookes Matthew J. , Taylor Margot J.
Published: March 2024

Optically pumped magnetometers (OPMs) offer a new wearable means to measure magnetoencephalography (MEG) signals, with many advantages compared to conventional systems. However, OPMs are an emerging technology, thus characterizing and replicating MEG recordings is essential. Using OPM-MEG and SQUID-MEG, this study investigated evoked responses, oscillatory power, and functional connectivity during emotion processing in 20 adults, to establish replicability across the two technologies. Five participants with dental fixtures were included to assess the validity of OPM-MEG recordings in those with irremovable metal. Replicable task-related evoked responses were observed in both modalities. Similar patterns of oscillatory power to faces were observed in both systems. Increased connectivity was found in SQUID-versus OPM-MEG in an occipital and parietal anchored network. Notably, high quality OPM-MEG data were retained in participants with metallic fixtures, from whom no useable data were collected using conventional MEG.
Monitoring gamma type-I censored data using an exponentially weighted moving average control chart based on deep learning networks
Authors: Lee Pei-Hsi , Liao Shih-Lung
Published: March 2024

In recent years, deep learning methods have been widely used in combination with control charts to improve the monitoring efficiency of complete data. However, due to time and cost constraints, data obtained from reliability life tests are often type-I right censored. Traditional control charts become inefficient for monitoring this type of data. Thus, researchers have proposed various control charts with conditional expected values (CEV) or conditional median (CM) to improve efficiency for right-censored data under normal and non-normal conditions. This study combines the exponentially weighted moving average (EWMA) CEV and CM chart with deep learning methods to increase efficiency for gamma type-I right-censored data. A statistical simulation and a real-world case are presented to assess the proposed method, which outperforms the traditional EWMA charts with CEV and CM in various skewness coefficient values and censoring rates for gamma type-I right-censored data.
Generating 3D images of material microstructures from a single 2D image: a denoising diffusion approach
Authors: Phan Johan , Sarmad Muhammad , Ruspini Leonardo , Kiss Gabriel , Lindseth Frank
Published: March 2024

Three-dimensional (3D) images provide a comprehensive view of material microstructures, enabling numerical simulations unachievable with two-dimensional (2D) imaging alone. However, obtaining these 3D images can be costly and constrained by resolution limitations. We introduce a novel method capable of generating large-scale 3D images of material microstructures, such as metal or rock, from a single 2D image. Our approach circumvents the need for 3D image data while offering a cost-effective, high-resolution alternative to existing imaging techniques. Our method combines a denoising diffusion probabilistic model with a generative adversarial network framework. To compensate for the lack of 3D training data, we implement chain sampling, a technique that utilizes the 3D intermediate outputs obtained by reversing the diffusion process. During the training phase, these intermediate outputs are guided by a 2D discriminator. This technique facilitates our method’s ability to gradually generate 3D images that accurately capture the geometric properties and statistical characteristics of the original 2D input. This study features a comparative analysis of the 3D images generated by our method, SliceGAN (the current state-of-the-art method), and actual 3D micro-CT images, spanning a diverse set of rock and metal types. The results shown an improvement of up to three times in the Frechet inception distance score, a typical metric for evaluating the performance of image generative models, and enhanced accuracy in derived properties compared to SliceGAN. The potential of our method to produce high-resolution and statistically representative 3D images paves the way for new applications in material characterization and analysis domains.
Global-best brain storm optimization algorithm based on chaotic difference step and opposition-based learning
Authors: Zhao Yanchi , Cheng Jianhua , Cai Jing , Qi Bing
Published: March 2024

Recently, the following global-best strategy and discussion mechanism have been prevailing to solve the slow convergence and the low optimization accuracy in the brain storm optimization (BSO) algorithm. However, the traditional BSO algorithm also suffers from the problem that it is easy to fall into local optimum. Therefore, this work innovatively designed the chaotic difference step strategy. This strategy introduced four commonly used chaotic maps and difference step to expand the population search space to improve the situation. Moreover, opposition-based learning thought was innovatively adopted into the BSO algorithm. The thought aims to generate the opposition-based population, increase the search density, and make the algorithm out of the local optimum as soon as possible. In summary, this work proposed a global-best brain storm optimization algorithm based on the chaotic difference step and opposition-based learning (COGBSO). According to the CEC2013 benchmark test suit, 15 typical benchmark functions were selected, and multiple sets of simulation experiments were conducted on MATLAB. The COGBSO algorithm was also compared to recent competitive algorithms based on the complete CEC2018 benchmark test suit. The results demonstrate that the COGBSO outperforms BSO and other improved algorithms in solving complex optimization problems.
DDFC: deep learning approach for deep feature extraction and classification of brain tumors using magnetic resonance imaging in E-healthcare system
Authors: Saboor Abdus , Li Jian Ping , Ul Haq Amin , Shehzad Umer , Khan Shakir , Aotaibi Reemiah Muneer , Alajlan Saad Abdullah
Published: March 2024

This research explores the use of gated recurrent units (GRUs) for automated brain tumor detection using MRI data. The GRU model captures sequential patterns and considers spatial information within individual MRI images and the temporal evolution of lesion characteristics. The proposed approach improves the accuracy of tumor detection using MRI images. The model’s performance is benchmarked against conventional CNNs and other recurrent architectures. The research addresses interpretability concerns by employing attention mechanisms that highlight salient features contributing to the model’s decisions. The proposed model attention-gated recurrent units (A-GRU) results show promising results, indicating that the proposed model surpasses the state-of-the-art models in terms of accuracy and obtained 99.32% accuracy. Due to the high predictive capability of the proposed model, we recommend it for the effective diagnosis of Brain tumors in the E-healthcare system.
Effective combination of cold physical plasma and chemotherapy against Ewing sarcoma cells in vitro
Authors: Nitsch Andreas , Qarqash Sara , Römer Sarah , Schoon Janosch , Singer Debora , Bekeschus Sander , Ekkernkamp Axel , Wassilew Georgi I. , Tzvetkov Mladen V. , Haralambiev Lyubomir
Published: March 2024

Ewing's sarcoma (ES) is the second most common bone tumor in children and adolescents and is highly malignant. Although the new chemotherapy has significantly improved the survival rate for ES from about 10 to 75%, the survival rate for metastatic tumors remains around 30%. This treatment is often associated with various side effects that contribute to the suffering of the patients. Cold physical plasma (CPP), whether used alone or in combination with current chemotherapy, is considered a promising adjunctive tool in cancer treatment. This study aims to investigate the synergistic effects of CPP in combination with cytostatic chemotherapeutic agents that are not part of current ES therapy. Two different ES cell lines, RD-ES and A673, were treated with the determined IC20 concentrations of the chemotherapeutic agents cisplatin and methotrexate (MTX) in combination with CPP. The effects on population doubling, cell viability, and apoptotic processes within these cell lines were assessed. This combination therapy has led to a reduction of population doubling and cell viability, as well as an increase in apoptotic activity in cells compared to CPP monotherapy. The results of this study provide evidence that combining CPP with non-common chemotherapy drugs such as MTX and CIS in the treatment of ES enhances the anticancer effects of these drugs. These findings open up new possibilities for the effective use of these drugs against ES.
Targeting glucosylceramide synthase induces antiproliferative and proapoptotic effects in osimertinib-resistant NSCLC cell models
Authors: La Monica Silvia , Vacondio Federica , Eltayeb Kamal , Lodola Alessio , Volta Francesco , Viglioli Martina , Ferlenghi Francesca , Galvani Francesca , Galetti Maricla , Bonelli Mara , Fumarola Claudia , Cavazzoni Andrea , Flammini Lisa , Verzè Michela , Minari Roberta , Petronini Pier Giorgio , Tiseo Marcello , Mor Marco , Alfieri Roberta
Published: March 2024

The EGFR tyrosine kinase inhibitor osimertinib has been approved for the first-line treatment of EGFR-mutated Non-Small Cell Lung Cancer (NSCLC) patients. Despite its efficacy, patients develop resistance. Mechanisms of resistance are heterogeneous and not fully understood, and their characterization is essential to find new strategies to overcome resistance. Ceramides are well-known regulators of apoptosis and are converted into glucosylceramides (GlcCer) by glucosylceramide synthase (GCS). A higher content of GlcCers was observed in lung pleural effusions from NSCLC patients and their role in osimertinib-resistance has not been documented. The aim of this study was to determine the therapeutic potential of inhibiting GCS in NSCLC EGFR-mutant models resistant to osimertinib in vitro and in vivo. Lipidomic analysis showed a significant increase in the intracellular levels of glycosylceramides, including GlcCers in osimertinib resistant clones compared to sensitive cells. In resistant cells, the GCS inhibitor PDMP caused cell cycle arrest, inhibition of 2D and 3D cell proliferation, colony formation and migration capability, and apoptosis induction. The intratumoral injection of PDMP completely suppressed the growth of OR xenograft models. This study demonstrated that dysregulation of ceramide metabolism is involved in osimertinib-resistance and targeting GCS may be a promising therapeutic strategy for patients progressed to osimertinib.
Water-richness evaluation method and application of clastic rock aquifer in mining seam roof
Authors: Qiu Mei , Shao Zhendong , Zhang Weiqiang , Zheng Yan , Yin Xinyu , Gai Guichao , Han Zhaodi , Zhao Jianfei
Published: March 2024

Clastic rock aquifer of the coal seam roof often constitutes the direct water-filling aquifer of the coal seam and its water-richness is closely related to the risk of roof water inrush. Therefore, the evaluation of the water-richness of clastic rock aquifer is the basic work of coal seam roof water disaster prevention. This article took the 4th coal seam in Huafeng mine field as an example. It combined the empirical formula method and generalized regression neural network (GRNN) to calculate the development height of water-conducting fracture zone, determined the vertical spatial range of water-richness evaluation. Depth of the sandstone floor, brittle rock ratio, lithological structure index, fault strength index, and fault intersections and endpoints density were selected as the main controlling factors. A combination weighting method based on the analytic hierarchy process (AHP), rough set theory (RS), and minimum deviation method (MD) was proposed to determine the weight of the main controlling factors. Introduced the theory of unascertained measures and confidence recognition criteria to construct an evaluation model for the water-richness of clastic rock aquifers, the study area was divided into three zones: relatively weak water-richness zones, medium water-richness zones, and relatively strong water-richness zones. By comparing with the water inrush points and the water inflow of workfaces, the evaluation model's water yield zoning was consistent with the actual situation, and the prediction effect was good. This provided a new idea for the evaluation of the water-richness of the clastic rock aquifer on the roof of the mining coal seam.
Generation of OAM beams with quasi omnidirectional pattern using simple slotted waveguide array
Authors: Dhanade Yuvraj B. , Patnaik Amalendu
Published: March 2024

Theory and design aspects of the Slotted Waveguide Antenna (SWA) array for the simultaneous generation of Orbital Angular Momentum (OAM) modes are proposed in this paper. The proposed method is a novel approach to OAM generation that uses a simple feeding scheme and has better performance, especially in terms of mode purity. Due to its all-metallic structure, the high-power OAM beams with first-order modes ($$ +1 \, \& \,-1$$

+
1

&

-
1

) can be generated simultaneously along the propagation axis but in opposite directions, which improves the coverage and makes the proposed SWA be used in applications like radar target detection by mounting it on a mechanically rotating platform. The proposed theory is verified by the electromagnetic (EM) simulations, followed by the experimental verification done on the laboratory prototype. The near-field characteristics of the proposed antenna confirm the generation of first-order OAM beams with high mode purity. The far-field characteristics show the high gain and quasi-omnidirectional radiation pattern. Transmission of high-power OAM beams with good far-field characteristics makes the proposed antenna mitigate the issues of long-range OAM communication to a certain extent. However, the proposed antenna can be served well in strategic applications where the mostly high-power microwave is involved.
Enhancing scanning electron microscopy imaging quality of weakly conductive samples through unsupervised learning
Authors: Gao Xin , Huang Tao , Tang Ping , Di Jianglei , Zhong Liyun , Zhang Weina
Published: March 2024

Scanning electron microscopy (SEM) is a crucial tool for analyzing submicron-scale structures. However, the attainment of high-quality SEM images is contingent upon the high conductivity of the material due to constraints imposed by its imaging principles. For weakly conductive materials or structures induced by intrinsic properties or organic doping, the SEM imaging quality is significantly compromised, thereby impeding the accuracy of subsequent structure-related analyses. Moreover, the unavailability of paired high–low quality images in this context renders the supervised-based image processing methods ineffective in addressing this challenge. Here, an unsupervised method based on Cycle-consistent Generative Adversarial Network (CycleGAN) was proposed to enhance the quality of SEM images for weakly conductive samples. The unsupervised model can perform end-to-end learning using unpaired blurred and clear SEM images from weakly and well-conductive samples, respectively. To address the requirements of material structure analysis, an edge loss function was further introduced to recover finer details in the network-generated images. Various quantitative evaluations substantiate the efficacy of the proposed method in SEM image quality improvement with better performance than the traditional methods. Our framework broadens the application of artificial intelligence in materials analysis, holding significant implications in fields such as materials science and image restoration.
Psychological resilience mediates the relationship between diabetes distress and depression among persons with diabetes in a multi-group analysis
Authors: Wojujutari Ajele Kenni , Idemudia Erhabor Sunday , Ugwu Lawrence Ejike
Published: March 2024

The aim to examine the link between diabetes distress and depression in individuals with diabetes, assess the mediating role of psychological resilience in this relationship, and analyses if these relationships differ between Type 1 and Type 2 diabetes. The study utilized a cross-sectional design. A total of 181 (age 33–72 years, mean = 54.76 years, and SD = 9.05 years) individuals diagnosed with diabetes who were receiving treatment from State Specialist Hospitals in Okitipupa were selected for the study using the convenient sampling technique. The data were analysed using Pearson Multiple correlation and multi-group mediation analysis. The analyses were carried out with Smartpls and IBM/SPSS Version 28.0. The results revealed a significant positive correlation between diabetes distress and depression (r = .80, p < .05), suggesting that higher levels of diabetes distress were associated with increased depression scores. Additionally, psychological resilience partially mediated the relationship between diabetes distress and depression (b = − 0.10, p < .05), signifying that resilience played a crucial role in mitigating the impact of diabetes distress on depression. Furthermore, a multi-group analysis was conducted to explore potential differences between Type 1 and Type 2 diabetes subgroups. The relationship between diabetes distress and depression was found to be more pronounced in the Type 1 subgroup (difference = 0.345, p < .05), while the relationship between psychological resilience and depression was negatively stronger in the Type 2 subgroup (difference = − 0.404, p < .05) compared to the Type 1 subgroup. There is an intricate linkage between diabetes distress, resilience, and depression, emphasizing the differential roles of resilience in Type 1 and Type 2 diabetes. The insights gleaned from this study underscore the importance of considering the type of diabetes when designing interventions and support mechanisms for individuals with diabetes who are also suffering from depression. By advancing our understanding of these dynamics, we can strive for more effective and personalized approaches to improve the overall well-being of those living with diabetes.
Geophysical survey based on hybrid gravimetry using relative measurements and an atomic gravimeter as an absolute reference
Authors: Shettell Nathan , Lee Kai Sheng , Oon Fong En , Maksimova Elizaveta , Hufnagel Christoph , Wei Shengji , Dumke Rainer
Published: March 2024

Gravimetry is a versatile metrological approach in geophysics to accurately map subterranean mass and density anomalies. There is a broad diversification regarding the working principle of gravimeters, wherein atomic gravimeters are one of the most technologically progressive class of gravimeters which can monitor gravity at an absolute scale with a high-repetition without exhibiting drift. Despite the apparent utility for geophysical surveys, atomic gravimeters are (currently) laboratory-bound devices due to the vexatious task of transportation. Here, we demonstrated the utility of an atomic gravimeter on-site during a gravity survey, where the issue of immobility was circumvented with a relative spring gravimeter. The atomic gravimeter served as a means to map the relative data from the spring gravimeter to an absolute measurement with an effective precision of 7.7$${\upmu }$$
μ
Gal. Absolute measurements provide a robust and feasible method to define and control gravity data taken at different sites, or a later date, which is critical to analyze underground geological units, in particular when it is combined with other geophysical approaches.
A computational strategy for estimation of mean using optimal imputation in presence of missing observation
Authors: Yadav Subhash Kumar , Vishwakarma Gajendra K. , Sharma Dinesh K.
Published: March 2024

In this study, we suggest an optimal imputation strategy for the elevated estimation of the population mean of the primary variable utilizing the known auxiliary parameters for the missing observations. Under this strategy, we suggest a new modified Searls type estimator, and we study its sampling properties, mainly bias and mean squared error (MSE), for an approximation of order one. The introduced estimator is compared theoretically with the estimators of population mean in competition under the imputation method. The efficiency conditions for the introduced estimator to be more efficient than the estimators in the competition are derived. To be sure about the efficiencies, these efficiency conditions are verified through the three natural populations. We have also conducted a simulation study and generated an artificial population with the same parameters as a natural population. The estimator with minimum MSE and the highest Percentage Relative Efficiency (PRE) is recommended for practical use in different areas of applications.
Multi-omics pan-cancer analyses identify MCM4 as a promising prognostic and diagnostic biomarker
Authors: Li Yanxing , Gao Wentao , Yang Zhen , Hu Zhenwei , Li Jianjun
Published: March 2024

Minichromosome Maintenance Complex Component 4 (MCM4) is a vital component of the mini-chromosome maintenance complex family, crucial for initiating the replication of eukaryotic genomes. Recently, there has been a growing interest in investigating the significance of MCM4 in different types of cancer. Despite the existing research on this topic, a comprehensive analysis of MCM4 across various cancer types has been lacking. This study aims to bridge this knowledge gap by presenting a thorough pan-cancer analysis of MCM4, shedding light on its functional implications and potential clinical applications. The study utilized multi-omics samples from various databases. Bioinformatic tools were employed to explore the expression profiles, genetic alterations, phosphorylation states, immune cell infiltration patterns, immune subtypes, functional enrichment, disease prognosis, as well as the diagnostic potential of MCM4 and its responsiveness to drugs in a range of cancers. Our research demonstrates that MCM4 is closely associated with the oncogenesis, prognosis and diagnosis of various tumors and proposes that MCM4 may function as a potential biomarker in pan-cancer, providing a deeper understanding of its potential role in cancer development and treatment.
TOR regulates variability of protein synthesis rates
Authors: Basier Clovis , Nurse Paul
Published: March 2024

Cellular processes are subject to inherent variability, but the extent to which cells can regulate this variability has received little investigation. Here, we explore the characteristics of the rate of cellular protein synthesis in single cells of the eukaryote fission yeast. Strikingly, this rate is highly variable despite protein synthesis being dependent on hundreds of reactions which might be expected to average out at the overall cellular level. The rate is variable over short time scales, and exhibits homoeostatic behaviour at the population level. Cells can regulate the level of variability through processes involving the TOR pathway, suggesting there is an optimal level of variability conferring a selective advantage. While this could be an example of bet-hedging, but we propose an alternative explanation: regulated ‘loose’ control of complex processes of overall cellular metabolism such as protein synthesis, may lead to this variability. This could ensure cells are fluid in control and agile in response to changing conditions, and may constitute a novel organisational principle of complex metabolic cellular systems.
Mutational biases favor complexity increases in protein interaction networks after gene duplication
Authors: Cisneros Angel F , Nielly-Thibault Lou , Mallik Saurav , Levy Emmanuel D , Landry Christian R
Published: March 2024

Biological systems can gain complexity over time. While some of these transitions are likely driven by natural selection, the extent to which they occur without providing an adaptive benefit is unknown. At the molecular level, one example is heteromeric complexes replacing homomeric ones following gene duplication. Here, we build a biophysical model and simulate the evolution of homodimers and heterodimers following gene duplication using distributions of mutational effects inferred from available protein structures. We keep the specific activity of each dimer identical, so their concentrations drift neutrally without new functions. We show that for more than 60% of tested dimer structures, the relative concentration of the heteromer increases over time due to mutational biases that favor the heterodimer. However, allowing mutational effects on synthesis rates and differences in the specific activity of homo- and heterodimers can limit or reverse the observed bias toward heterodimers. Our results show that the accumulation of more complex protein quaternary structures is likely under neutral evolution, and that natural selection would be needed to reverse this tendency.
Thermodynamic analysis of gate-opening carbon dioxide adsorption behavior of metal–organic frameworks
Authors: Kannaka Shino , Ohmiya Ayumi , Ozaki Chiho , Ohtani Masataka
Published: March 2024

Thermodynamic analysis of gate-opening carbon dioxide (CO2) adsorption behavior of metal–organic frameworks (MOFs) was investigated using differential scanning calorimetry (DSC).
Insights on adsorption of pyocyanin in montmorillonite using molecular dynamics simulation
Authors: Fashina Bidemi , Deng Youjun , Cagin Tahir , Cygan Randall
Published: March 2024

This experiment-guided molecular simulation study provided insight on the interaction mechanisms between montmorillonite and different species (neutral and protonated) of pyocyanin at different moisture conditions.
Methane dimer rovibrational states and Raman transition moments
Authors: Martín Santa Daría Alberto , Avila Gustavo , Mátyus Edit
Published: March 2024

Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface reported.
Electrocatalytic C–N coupling for urea synthesis: a critical review
Authors: Yang Chuanju , Li Zhe , Xu Junpeng , Jiang Yujing , Zhu Wenlei
Published: March 2024

Strategies for building efficient electrocatalytic urea synthesis systems.
A simple and reliable calibration method for direct analysis of ground-roasted coffee by portable XRF: an accurate analytical tool for total diet studies
Authors: Santos Nayza Ferreira , Guimarães Guilherme Luiz Roberto , Carbone Carneiro Marco Aurélio , Bueno Guerra Marcelo Braga
Published: March 2024

We proposed an accurate pXRF matrix-matched calibration method for the elemental analysis of ground-roasted coffee as well as the corresponding spent coffee grounds (SCG).
Assessment of laser-synthesized Si nanoparticle effects on myoblast motility, proliferation and differentiation: towards potential tissue engineering applications
Authors: Murru Clarissa , Duvert Lucas , Magdinier Frederique , Casanova Adrien , Alloncle Anne-Patricia , Testa Stefano , Al-Kattan Ahmed
Published: March 2024

In this work, the potential of laser-synthesized ultrapure silicon nanoparticles (Si-NPs) on modulating the behavior of muscle cells is studied, revealing a positive effect on cell proliferation, motility and differentiation.
A biocompatible Mn-decorated metal–organic cage with sustainable CO release
Authors: Ning Xiaomei , Yin Peilin , Zhang Lixia , Gao Feng , Wang Youfu , Yang Jinghui
Published: March 2024

Well-defined CO-releasing nanomaterial based on atomically precise nanocarrier with light-triggered CO release and good biocompatibility is constructed.
Controlled synthesis of polyester-based polyphenols via living ring-opening polymerization of novel O-benzyl-l-dopa carboxyanhydrides
Authors: Xiao Jingsong , Hu Jieni , Sun Chuanhao , Zhang Yan
Published: March 2024

We first synthesized well-defined biodegradable polylactic acid-based polyphenols from novel polyphenol-bearing monomers. And then the core cross-linked micelles with improved stability and adjustable antioxidant property were rapidly prepared.
Phenothiazine appended thiophene derivative: a trilateral approach to copper ion detection in living cells and aqueous samples
Authors: Ilakiyalakshmi Mohan , Napoleon Ayyakannu Arumugam
Published: March 2024

A novel phenothiazine-thiophene acetonitrile compound was synthesised through a Knoevenagel condensation reaction. The compound demonstrated selectivity towards Cu2+ and proved to have low cytotoxicity.
Highly specific colorimetric detection based on aggregation of l-cysteine functionalized gold nanoparticles for cypermethrin in water samples
Authors: Rujiralai Thitima , Leelaharat Nitchakarn , Cheewasedtham Wilairat
Published: March 2024

A fast, simple, and selective sensor using AuNPs@Cyst was proposed for quantifying cypermethrin in the form of hydrolyzed cypermethrin (HCy).
Inducing molecular orientation in solution-processed thin films of fluorene-bithiophene-based copolymer: thermal annealing vs. solvent additive
Authors: Coutinho Pereira Cassia Ferreira , Borges Bruno G. A. L. , Sousa Karlison R. A. , Holakoei Soheila , Roman Lucimara S. , Araujo C. Moyses , Cremona Marco , Koehler Marlus , Marchiori Cleber F. N. , Rocco Maria Luiza M.
Published: March 2024

NEXAFS and RAS studies showed enhancement in the charge transfer process and film ordering for F8T2 films processed with DIO and post-processed via thermal annealing. The experimental findings were compared with MD simulations of film evaporation.
Ultrasensitive colorimetric detection of creatinine via its dual binding affinity for silver nanoparticles and silver ions
Authors: Huang Jingle , Sokolikova Maria , Ruiz-Gonzalez Antonio , Kong Yingqi , Wang Yuxuan , Liu Yingjia , Xu Lizhou , Wang Mingqing , Mattevi Cecilia , Davenport Andrew , Lee Tung-Chun , Li Bing
Published: March 2024

Creatinine detection via dual binding affinity for silver nanoparticles and silver ions.
Exploring Cassia mimosoïdes as a promising natural source of steroids with potent anti-cancer, urease inhibition, and antimicrobial properties
Authors: Kepdieu Tchebou Robert Viani , Farooq Umar , Teponno Rémy Bertrand , Wani Tanveer A. , Tapondjou Léon Azefack , Rasool Azhar , Sarwar Rizwana , Khushal Aneela , Bukhari Syed Majid , Zargar Seema , Xu Hong-Guang , Khan Sara
Published: March 2024

The current research discusses the spectroscopic elucidation of the structure and enzymatic activity in silico and in vitro of fifteen known compounds, as well as a new unidentified avenasterol derivative called 21-methylene-24-ethylidene lophenol, from the genus Cassia.
Hydrodynamically induced aggregation of two dimensional oriented active particles
Authors: Bashan Roee , Oppenheimer Naomi
Published: March 2024

We show that in many cases aligned active particles in a two-dimensional fluid attract and form fractal-like clusters.
Non-classical electrostriction in calcium-doped cerium oxide ceramics
Authors: Kabir Ahsanul , Tinti Victor Buratto , Santucci Simone , Varenik Maxim , Griffiths Samuel , Molin Sebastian , Lubomirsky Igor , Esposito Vincenzo
Published: March 2024

Oxygen-defective metal oxides, e.g., acceptor-doped CeO2, demonstrate exceptionally large electrostrictive responses compared to state-of-the-art electromechanically active ceramic materials.
Thermomechanical properties of metal–organic framework HKUST-1 crystals
Authors: Wang Bing , Ke Jin , Zhang Jin
Published: March 2024

Based on the in situ compression tests at elevated temperatures, very different mechanical behaviours are observed in HKUST-1 crystals at different temperatures.
An NIR light-driven AgBiS2@ZIF-8 hybrid photocatalyst for rapid bacteria-killing
Authors: Liu Ting , Huang Kangkang , Yang Yuxia , Wen Shengwu , Zhang Jingxian , Deng Suiping , Tan Shaozao , Huang Langhuan
Published: March 2024

When AgBiS2@ZIF-8 hybrid photocatalyst were irradiated by 808 nm NIR, the synergistic effects could kill bacteria efficiently and reduce the side effects by decreasing the required ROS amounts for PDT and the needed temperature for PTT.
Efficient narrowband bluish-green emitters derived from a double-carbazole-fused organoboron multiple resonance skeleton with internal-structure modification
Authors: Zhang Tong-Yuan , Cheng Ying-Chun , Wang Hui , Huang Feng , Xiong Xin , Fan Xiao-Chun , Yu Jia , Wang Kai , Zhang Xiao-Hong
Published: March 2024

Two green multiple resonance (MR) emitters were developed via internal-structure modification of CzBN, which not only extends the π-conjugated backbone towards red-shifted emission, but also improves the MR characteristics for narrowband features.
A disposable paper-based electrochemical biosensor decorated by electrospun cellulose acetate nanofibers for highly sensitive bio-detection
Authors: Zhang Zhiwei , Du Manman , Cheng Xiao , Dou Xuechen , Zhou Junting , Wu Jianguo , Xie Xinwu , Zhu Mengfu
Published: March 2024

Electrospun CA NF-decorated PBSP electrochemical sensors can quickly and sensitively detect organic substances, proteins, and bacteria.
Correction: Inkjet-printed O2 gas sensors in intelligent packaging
Authors: Fernández-Ramos M. D. , Pageo-Cabrera M. , Capitán-Vallvey L. F. , Pérez de Vargas-Sansalvador I. M.
Published: March 2024

Correction for ‘Inkjet-printed O2 gas sensors in intelligent packaging’ by M. D. Fernández-Ramos et al., Analyst, 2021, 146, 3177–3184, https://doi.org/10.1039/D1AN00295C.
Asymmetric copper-catalyzed alkynylallylic monofluoroalkylations with fluorinated malonates
Authors: Lu Han-Yu , Li Zi-Han , Lin Guo-Qiang , He Zhi-Tao
Published: March 2024

1,4-Enyne bearing a monofluoroalkyl unit is achieved in a high yield and stereoselectivity via Cu-catalyzed asymmetric alkynylallylic monofluoroalkylation.
Carbene-mediated stereoselective olefination of vinyl sulfoxonium ylides with diazo compounds and acetals
Authors: Gopalakrishnan Dinesh Kumar , Bhardwaj Srashti , Kumar Sandeep , Karmakar Tarak , Vaitla Janakiram
Published: March 2024

The coupling of ylide-derived carbene with diazo-derived carbene generated dienoates via cascade catalysis. Similarly, the reaction of ylide-derived carbene with the oxocarbenium ion afforded alkylidenebutenolide via synergistic catalysis.
Reactivity of quasi-free electrons toward N3− and its impact on H2 formation mechanism in water radiolysis
Authors: Dobrovolskii Denis , Denisov Sergey A. , Sims Howard E. , Mostafavi Mehran
Published: March 2024

Picosecond pulse radiolysis measurements were employed to assess the effectiveness of N3− in scavenging quasi-free electrons in aqueous solutions.
First principles predictions of structural, electronic and topological properties of two-dimensional Janus Ti2N2XI (X = Br, Cl) structures
Authors: Karmakar Shiladitya , Datta Soumendu , Saha-Dasgupta Tanusri
Published: March 2024

Large Rashba effect and nontrivial topological properties of the Janus mono layers, resulting from inversion symmetry breaking, band-inversion and band anticrossing effects.
Molecular field analysis in half-titanocene complexes: computational study towards data-driven in silico optimization of single-site olefin polymerization catalysts
Authors: Yamaguchi Shigeru , Kikuchi Takahiro , Tanaka Kenichi , Takamiya Ikuko
Published: March 2024

The control of multiple reaction outcomes in olefin polymerization has been demonstrated through data-driven catalyst optimization based on molecular field analysis, using data collected from DFT-based transition-state calculations.
Facile synthesis of a three-dimensional Ln-MOF@FCNT composite for the fabrication of a symmetric supercapacitor device with ultra-high energy density: overcoming the energy storage barrier
Authors: Khan Mohammad Yasir , Husain Ahmad , Mahajan Dhiraj K. , Muaz Mohammad , Shahid M. , Zeeshan Mohd , Sama Farasha , Ahmad Sharique
Published: March 2024

A novel lanthanide MOF-FCNT composite is fabricated and employed as a symmetric supercapacitor (SSC) device with the highest energy density reported so far.
Real-time assessment of the impacts of polystyrene and silver nanoparticles on the hatching process and early-stage development of Artemia using a microfluidic platform
Authors: Dey Preyojon , Bradley Terence M. , Boymelgreen Alicia
Published: March 2024

Development of real-time in situ monitoring techniques is crucial for a mechanistic understanding of the impacts of pollution on the marine environment.
Interference free ultratrace beryllium determination in alkaline effluents of beryllium processing plants by graphite furnace atomic absorption spectrometry after a novel graphene oxide-assisted dispersive micro solid phase extraction without using a chelating agent
Authors: Devulapally Saikrishna , Meeravali N. N. , Sahayam A. C.
Published: March 2024

Ultratrace level determination of beryllium is carried out using graphene oxide as a dispersive micro solid phase extractant in alkaline beryllium processing plant effluents.
Stability of CsPbI3 with divalent cations incorporated via mechanochemical alloying
Authors: Shekarnoush Mahsa , Aguirre-Tostado Francisco S. , López Manuel Quevedo
Published: March 2024

Cubic CsPbI3 is a promising perovskite material for optoelectronic applications.
Rapid and efficient degradation of organic contaminants using a microplasma electrochemistry method
Authors: Zheng Liyuan , Song Yakun , Li Kerong , Zhang Lingyu , Lu Yuexiang , Liu Shuang , Wang Zhe , Wang Xiangke
Published: March 2024

A microplasma electrochemistry method can degrade various organic contaminants in a few minutes, making it a promising method for wastewater treatment.
Selective oxidation of alkenes catalyzed by palladium-based bimetallic heterogeneous catalysts under atmospheric pressure
Authors: Zhang Rongfan , Li Shuaihui , Hou Yuelei , Chang Chengke , Li Jun
Published: March 2024

Wacker oxidation using palladium–copper bimetallic catalysts under atmospheric air.
Ultrathin 2D–2D NiFe LDH/MOF heterojunction nanosheets: an efficient oxygen evolution reaction catalyst for water oxidation
Authors: Yin Haoran , Su Shibiao , Yao Di , Wang Lixia , Liu Xinqiang , Isimjan Tayirjan Taylor , Yang Xiulin , Cai Dandan
Published: March 2024

An ultrathin NiFe LDH/MOF catalyst is grown on carbon paper by an in situ self-dissociation–assembly strategy. Studies reveal that the strong electronic interaction between Fe and Ni species with rich active sites results in good OER and OWS performance.
Adhesion, stability, structural and electronic properties of perovskite/BaWO4 heterostructures: first-principles and experimental characterizations
Authors: Guo Yao , Zhang Shiding , Zhang Zhaoyu , Xue Yuanbin , Li Jianxin , Song Haixiang , Wang Yuhua , Shen Qing
Published: March 2024

The interfacial behavior and mechanism of the CsPbBr3/BaWO4 and MAPbBr3/BaWO4 heterostructures have been extensively investigated by a combined first-principles and experimental analysis.
Perovskite photoinitiated RAFT-mediated polymerization-induced self-assembly for organic–inorganic hybrid nanomaterials
Authors: Shi Bingfeng , Hu Wanchao , Li Shiyi , Xia Zhinan , Lü Changli
Published: March 2024

An efficient strategy is proposed to construct PQD/polymer organic–inorganic nanohybrids by PET-RAFT polymerization-mediated PISA and the nanohybrid assemblies can maintain excellent luminescence originating from PQDs with enhanced stability.
Concise synthesis of pyrrolo[3,4-c]quinolines via a P(NMe2)3-catalyzed [4 + 2] annulation followed by a Zn/AcOH-mediated reduction–hydroamination–isomerization
Authors: Chen Zhengyang , Xiong Dan , Wang Nengzhong , Zhang Yufei , Yao Hui , Zhang Jinkun , Huang Nianyu , Zou Kun
Published: March 2024

A P(NMe2)3-catalyzed [4 + 2] annulation of 2-amino-β-nitrostyrenes and β′-acetoxy allenoates followed by a Zn/AcOH-mediated reduction–hydroamination–isomerization has been developed.
Oxidative cyclization and enzyme-free deiodination of thyroid hormones
Authors: Spils Julian , Caspers Lucien D. , Puylaert Pim , Nachtsheim Boris J.
Published: March 2024

This study, unveils a novel pathway for thyroid hormone interconversion, synthesizing an iodonium T4 species, followed by selective deiodination to an oxidized T3. This breakthrough could revolutionize our view and treatment of the thyroid metabolism.
Solvent dependent hierarchical dual helicity in a fused [4]carbohelicene/quinoline oligoamide foldamer
Authors: Borges-Anastácio Rita , Moreno Kevin , Merlet Eric , Buffeteau Thierry , Kauffmann Brice , McClenaghan Nathan , Ferrand Yann , Olivier Céline
Published: March 2024

Two classes of helical motif, namely a [4]carbohelicene and an aromatic oligoamide foldamer, were fused to form a hybrid molecular construct in which their helical axes are parallel.
Developing a novel magnetic organic polymer for selective extraction and determination of 16 macrolides in water and honey samples
Authors: Liang Mengnan , Li Na , Zhang Hao , Ma Ling , Wang Ke
Published: March 2024

A novel magnetic organic polymer Fe3O4@SiO2@Tb–PDAN was designed and synthesized, which was used as an adsorbent for magnetic solid-phase extraction (MSPE) for the determination of 16 MALs.
Nanofiber applications in microbial fuel cells for enhanced energy generation: a mini review
Authors: Yalcinkaya Fatma , Torres-Mendieta Rafael , Hruza Jakub , Vávrová Andrea , Svobodová Lucie , Pietrelli Andrea , Ieropoulos Ioannis
Published: March 2024

Microbial fuel cells (MFCs) represent simple devices that harness the metabolic activities of microorganisms to produce electrical energy from diverse sources such as organic waste and sustainable biomass.
First-principles study of oxygen vacancies in LiNbO3-type ferroelectrics
Authors: Li Jing , Liu Xiaohui
Published: March 2024

LiNbO3-type ferroelectric oxides, as an important class of non-centrosymmetric compounds, have received great attention due to their important and rich properties.