bluuebunny/crossref_metadata_2025 huggingface dataset:
Estimating pitting descriptors of 316 L stainless steel by machine learning and statistical analysis
Authors: Coelho Leonardo Bertolucci , Torres Daniel , Vangrunderbeek Vincent , Bernal Miguel , Paldino Gian Marco , Bontempi Gianluca , Ustarroz Jon
Published: October 2023

A hybrid rule-based/ML approach using linear regression and artificial neural networks (ANNs) determined pitting corrosion descriptors from high-throughput data obtained with Scanning Electrochemical Cell Microscopy (SECCM) on 316 L stainless steel. Non-parametric density estimation determined the central tendencies of the Epit/log(jpit) and Epass/log(jpass) distributions. Descriptors estimated using conditional mean or median curves were compared to their central tendency values, with the conditional medians providing more accurate results. Due to their lower sensitivity to high outliers, the conditional medians were more robust representations of the log(j) vs.Edistributions. An observed trend of passive range shortening with increasing testing aggressiveness was attributed to delayed stabilisation of the passive film, rather than early passivity breakdown.
Expanding causal genes for Parkinson’s disease via multi-omics analysis
Authors: Gu Xiao-Jing , Su Wei-Ming , Dou Meng , Jiang Zheng , Duan Qing-Qing , Yin Kang-Fu , Cao Bei , Wang Yi , Li Guo-Bo , Chen Yong-Ping
Published: October 2023

Genome‑wide association studies (GWASs) have revealed numerous loci associated with Parkinson’s disease (PD). However, some potential causal/risk genes were still not revealed and no etiological therapies are available. To find potential causal genes and explore genetically supported drug targets for PD is urgent. By integrating the expression quantitative trait loci (eQTL) and protein quantitative trait loci (pQTL) datasets from multiple tissues (blood, cerebrospinal fluid (CSF) and brain) and PD GWAS summary statistics, a pipeline combing Mendelian randomization (MR), Steiger filtering analysis, Bayesian colocalization, fine mapping, Protein-protein network and enrichment analysis were applied to identify potential causal genes for PD. As a result, GPNMB displayed a robust causal role for PD at the protein level in the blood, CSF and brain, and transcriptional level in the brain, while the protective role of CD38 (in brain pQTL and eQTL) was also identified. We also found inconsistent roles of DGKQ on PD between protein and mRNA levels. Another 9 proteins (CTSB, ARSA, SEC23IP, CD84, ENTPD1, FCGR2B, BAG3, SNCA, FCGR2A) were associated with the risk for PD based on only a single pQTL after multiple corrections. We also identified some proteins’ interactions with known PD causative genes and therapeutic targets. In conclusion, this study suggested GPNMB, CD38, and DGKQ may act in the pathogenesis of PD, but whether the other proteins involved in PD needs more evidence. These findings would help to uncover the genes underlying PD and prioritize targets for future therapeutic interventions.
Spin-orbit coupled spin-polarised hole gas at the CrSe2-terminated surface of AgCrSe2
Authors: Siemann Gesa-R. , Kim Seo-Jin , Morales Edgar Abarca , Murgatroyd Philip A. E. , Zivanovic Andela , Edwards Brendan , Marković Igor , Mazzola Federico , Trzaska Liam , Clark Oliver J. , Bigi Chiara , Zhang Haijing , Achinuq Barat , Hesjedal Thorsten , Watson Matthew D. , Kim Timur K. , Bencok Peter , van der Laan Gerrit , Polley Craig M. , Leandersson Mats , Fedderwitz Hanna , Ali Khadiza , Balasubramanian Thiagarajan , Schmidt Marcus , Baenitz Michael , Rosner Helge , King Phil D. C.
Published: October 2023

In half-metallic systems, electronic conduction is mediated by a single spin species, offering enormous potential for spintronic devices. Here, using microscopic-area angle-resolved photoemission, we show that a spin-polarised two-dimensional hole gas is naturally realised in the polar magnetic semiconductor AgCrSe2 by an intrinsic self-doping at its CrSe2-terminated surface. Through comparison with first-principles calculations, we unveil a striking role of spin-orbit coupling for the surface hole gas, unlocked by both bulk and surface inversion symmetry breaking, suggesting routes for stabilising complex magnetic textures in the surface layer of AgCrSe2.
An ocean front dataset for the Mediterranean sea and southwest Indian ocean
Authors: Sudre Floriane , Hernández-Carrasco Ismael , Mazoyer Camille , Sudre Joel , Dewitte Boris , Garçon Véronique , Rossi Vincent
Published: October 2023

Fronts are ubiquitous discrete features of the global ocean often associated with enhanced vertical velocities, in turn boosting primary production. Fronts thus form dynamical and ephemeral ecosystems where numerous species meet across all trophic levels. Fronts are also targeted by fisheries. Capturing ocean fronts and studying their long-term variability in relation with climate change is thus key for marine resource management and spatial planning. The Mediterranean Sea and the Southwest Indian Ocean are natural laboratories to study front-marine life interactions due to their energetic flow at sub-to-mesoscales, high biodiversity (including endemic and endangered species) and numerous conservation initiatives. Based on remotely-sensed Sea Surface Temperature and Height, we compute thermal fronts (2003–2020) and attracting Lagrangian coherent structures (1994–2020), in both regions over several decades. We advocate for the combined use of both thermal fronts and attracting Lagrangian coherent structures to study front-marine life interactions. The resulting front dataset differs from other alternatives by its high spatio-temporal resolution, long time coverage, and relevant thresholds defined for ecological provinces.
Contact Endoscopy – Narrow Band Imaging (CE-NBI) data set for laryngeal lesion assessment
Authors: Esmaeili Nazila , Davaris Nikolaos , Boese Axel , Illanes Alfredo , Navab Nassir , Friebe Michael , Arens Christoph
Published: October 2023

The endoscopic examination of subepithelial vascular patterns within the vocal fold is crucial for clinicians seeking to distinguish between benign lesions and laryngeal cancer. Among innovative techniques, Contact Endoscopy combined with Narrow Band Imaging (CE-NBI) offers real-time visualization of these vascular structures. Despite the advent of CE-NBI, concerns have arisen regarding the subjective interpretation of its images. As a result, several computer-based solutions have been developed to address this issue. This study introduces the CE-NBI data set, the first publicly accessible data set that features enhanced and magnified visualizations of subepithelial blood vessels within the vocal fold. This data set encompasses 11144 images from 210 adult patients with pathological vocal fold conditions, where CE-NBI images are annotated using three distinct label categories. The data set has proven invaluable for numerous clinical assessments geared toward diagnosing laryngeal cancer using Optical Biopsy. Furthermore, given its versatility for various image analysis tasks, we have devised and implemented diverse image classification scenarios using Machine Learning (ML) approaches to address critical clinical challenges in assessing laryngeal lesions.
Zika, chikungunya and co-occurrence in Brazil: space-time clusters and associated environmental–socioeconomic factors
Authors: Gardini Sanches Palasio Raquel , Marques Moralejo Bermudi Patricia , Luiz de Lima Macedo Fernando , Reis Santana Lidia Maria , Chiaravalloti-Neto Francisco
Published: October 2023

Chikungunya and Zika have been neglected as emerging diseases. This study aimed to analyze the space-time patterns of their occurrence and co-occurrence and their associated environmental and socioeconomic factors. Univariate (individually) and multivariate (co-occurrence) scans were analyzed for 608,388 and 162,992 cases of chikungunya and Zika, respectively. These occurred more frequently in the summer and autumn. The clusters with the highest risk were initially located in the northeast, dispersed to the central-west and coastal areas of São Paulo and Rio de Janeiro (2018–2021), and then increased in the northeast (2019–2021). Chikungunya and Zika demonstrated decreasing trends of 13% and 40%, respectively, whereas clusters showed an increasing trend of 85% and 57%, respectively. Clusters with a high co-occurrence risk have been identified in some regions of Brazil. High temperatures are associated with areas at a greater risk of these diseases. Chikungunya was associated with low precipitation levels, more urbanized environments, and places with greater social inequalities, whereas Zika was associated with high precipitation levels and low sewage network coverage. In conclusion, to optimize the surveillance and control of chikungunya and Zika, this study’s results revealed high-risk areas with increasing trends and priority months and the role of socioeconomic and environmental factors.
A single probe for solvent dependent optical recognition of iron(II/III) and arsenite: discrimination between iron redox states with single crystal X-ray structure evidence
Authors: Das Jayanta , Ghosh Milan , Ghosh Biplab , Mandal Prasenjit , Maji Sangita , Das Debasis
Published: October 2023

The detection and discrimination of Fe2+ and Fe3+ ions have been investigated using a simple probe (L), produced by the condensation of ethylenediamine and 3-ethoxysalicyaldehyde. Single crystal X-ray structures demonstrate that L interacts with Fe2+ and Fe3+. In aqueous-DMSO media, the L recognises AsO2− by fluorescence and colorimetry techniques. The AsO2− aided PET inhibition and H-bond assisted chelation enhanced fluorescence (CHEF) boost fluorescence by 91-fold. The L can detect 0.354 ppb Fe2+, 0.22 ppb Fe3+ and 0.235 ppt AsO2−.
Application of ensemble machine learning approach to assess the factors affecting size and polydispersity index of liposomal nanoparticles
Authors: Hoseini Benyamin , Jaafari Mahmoud Reza , Golabpour Amin , Momtazi-Borojeni Amir Abbas , Karimi Maryam , Eslami Saeid
Published: October 2023

Liposome nanoparticles have emerged as promising drug delivery systems due to their unique properties. Assessing particle size and polydispersity index (PDI) is critical for evaluating the quality of these liposomal nanoparticles. However, optimizing these parameters in a laboratory setting is both costly and time-consuming. This study aimed to apply a machine learning technique to assess the impact of specific factors, including sonication time, extrusion temperature, and compositions, on the size and PDI of liposomal nanoparticles. Liposomal solutions were prepared and subjected to sonication with varying values for these parameters. Two compositions: (A) HSPC:DPPG:Chol:DSPE-mPEG2000 at 55:5:35:5 molar ratio and (B) HSPC:Chol:DSPE-mPEG2000 at 55:40:5 molar ratio, were made using remote loading method. Ensemble learning (EL), a machine learning technique, was employed using the Least-squares boosting (LSBoost) algorithm to accurately model the data. The dataset was randomly split into training and testing sets, with 70% allocated for training. The LSBoost algorithm achieved mean absolute errors of 1.652 and 0.0105 for modeling the size and PDI, respectively. Under conditions where the temperature was set at approximately 60 °C, our EL model predicted a minimum particle size of 116.53 nm for composition (A) with a sonication time of approximately 30 min. Similarly, for composition (B), the model predicted a minimum particle size of 129.97 nm with sonication times of approximately 30 or 55 min. In most instances, a PDI of less than 0.2 was achieved. These results highlight the significant impact of optimizing independent factors on the characteristics of liposomal nanoparticles and demonstrate the potential of EL as a decision support system for identifying the best liposomal formulation. We recommend further studies to explore the effects of other independent factors, such as lipid composition and surfactants, on liposomal nanoparticle characteristics.
Shedding light on the environmental impact of the decomposition of perovskite solar cell
Authors: Sabahi Negin , Shahroosvand Hashem
Published: October 2023

Perovskite materials, as the heart of perovskite solar cells (PSC), attracted great interest in the photovoltaic community since the efficiency of PSC dramatically increased to over 25% in a short period. However, the presence of Pb metal in the perovskite crystalline limits the progress of this new generation of solar cells from environmental aspects. Here, we have systematically investigated the impact of the decomposition of perovskite material on the special plant, named Coleus. The influence of the decomposition of a perovskite solar cell (p-PbI2) has a three-fold lower destruction than commercial PbI2 (s-PbI2) in the same condition. The p-PbI2 made destroying the roots and leafs slower and smoother than s-PbI2, which the amount of water absorption with the plant’s root from p-PbI2 is two-fold lower than s-PbI2. The atomic absorption spectroscopy (AAS) indicated that the amount of Pb in the first week is about 3.2 and 2.1 ppm for s-PbI2, and p-PbI2, respectively, which in following for two next weeks reached to about relatively close together and finally in the last week decreased to 1.8 ppm for s-PbI2 and increased to 2.4 ppm for p-PbI2. This paper opens new avenues and challenges about the actual scenario on the impact of perovskite materials in PSCs on the plant and live metabolisms.
An analysis on history of childhood adversity, anxiety, and chronic pain in adulthood and the influence of inflammatory biomarker C-reactive protein
Authors: Dalechek Danielle E. , Caes Line , McIntosh Gwenne , Whittaker Anna C.
Published: October 2023

Despite a link between adverse childhood experiences (ACEs) and anxiety, the role of anxiety in the pathway to chronic pain is unclear. Potentially, inflammatory biomarkers such as C-reactive protein (CRP) are involved. Objectives were to (1) examine relationships between reported ACEs, anxiety, and chronic pain, and (2) assess associations between ACEs, anxiety, and CRP levels and between CRP and chronic pain. Data from 24,172 adults who participated in the UK Biobank were used to conduct Poisson regressions to assess relationships between ACEs, anxiety, and chronic pain. For participants with CRP data who met the inclusion criteria (n = 2007), similar models were run between ACEs, anxiety, and CRP, and CRP and chronic pain. For objective 1, three statistically significant interactions were found to predict pain: frequency of physical abuse x reported muscular symptoms during anxiety (p = 0.01); frequency in which they felt hated x having discussed anxiety with a professional (p = 0.03), and reported frequency of sexual abuse x difficulties relaxing during anxiety attacks (p = 0.03). For objective 2, frequency of sexual abuse and informing a professional about anxiety significantly interacted to predict elevated CRP. For correlations, the largest was between CRP and the number of times pain was reported over the years (p = 0.01). Finally, ACEs (physical abuse, sexual abuse, and whether taken to a doctor) significantly interacted with CRP to predict pain. This study suggests mechanisms of the impact of ACEs on chronic pain may include inflammation and anxiety, which warrants further study.
Tau accumulation in degradative organelles is associated to lysosomal stress
Authors: Piovesana Ester , Magrin Claudia , Ciccaldo Matteo , Sola Martina , Bellotto Manolo , Molinari Maurizio , Papin Stéphanie , Paganetti Paolo
Published: October 2023

Neurodegenerative disorders are characterized by the brain deposition of insoluble amyloidogenic proteins, such as α-synuclein or Tau, and the concomitant deterioration of cell functions such as the autophagy-lysosomal pathway (ALP). The ALP is involved in the degradation of intracellular macromolecules including protein aggregates. ALP dysfunction due to inherited defects in lysosomal or non-lysosomal proteins causes a group of diseases called lysosomal storage disorders (LSD) because of abnormal accumulation of lysosomal degradation substrates. Supporting the contribution of ALP defects in neurodegenerative diseases, deposition of amyloidogenic proteins occurs in LSD. Moreover, heterozygous mutations of several ALP genes represent risk factors for Parkinson’s disease. The reciprocal contribution of α-synuclein accumulation and lysosomal dysfunction have been extensively studied. However, whether this adverse crosstalk also embraces Tau pathology needs more investigation. Here, we show in human primary fibroblasts that Tau seeds isolated from the brain of Alzheimer’s disease induce Tau accumulation in acidic degradative organelles and lysosomal stress. Furthermore, inhibition of glucocerebrosidase, a lysosomal enzyme mutated in Gaucher’s disease and a main risk for Parkinson’s disease, causes lysosomal dysfunction in primary fibroblasts and contributes to the accumulation of Tau. Considering the presence of Tau lesions in Parkinson’s disease as well as in multiple neurodegenerative disorders including Alzheimer’s disease, our data call for further studies on strategies to alleviate ALP dysfunction as new therapeutic opportunity for neurodegenerative diseases and LSD.
Spatial–temporal coupling coordination and interaction between digitalization and traditional industrial upgrading: a case study of the Yellow River Basin
Authors: Wang Manman , Zhu Xiaoya , Yin Shi
Published: October 2023

The realization of coupling coordination between digitalization and traditional industrial upgrading in the Yellow River Basin holds significant practical value for promoting high-quality industrial development in the region. In order to assess this coupling coordination, we utilized inter-provincial panel data from nine provinces in the Yellow River Basin, covering the period from 2011 to 2020. Through the application of a coupling coordination degree model, we calculated the degree of coupling coordination and relative development between digitalization and traditional industrial upgrading. Additionally, we conducted a spatial–temporal analysis to identify the characteristics and trends of digitalization and traditional industrial upgrading. Furthermore, we constructed a panel VAR model to examine the interactive relationship between these two factors. The findings are as follows: (1) overall, over the study period, the degree of coupling coordination between digitalization and traditional industrial upgrading in the Yellow River Basin transitioned from a disordered state to a run-in stage. The corresponding development type changed from a low steady state to a co-existence of low and medium steady states. Notably, the levels of digitalization, traditional industrial upgrading, and coupling coordination all exhibited a gradual increase, while the relative development degree declined. (2) The coupling coordination degree between digitalization and traditional industrial upgrading in the Yellow River Basin demonstrated significant regional variation. Provinces displaying a “high–high” agglomeration distribution and “low–low” agglomeration distribution were concentrated in the middle and lower reaches, as well as the upper reaches, of the Yellow River. Furthermore, there was a positive spatial autocorrelation between these regions. (3) Both digitalization and traditional industrial upgrading exhibit self-reinforcing mechanisms, and a long-term dynamic correlation exists between them.
Efficacy of various extracting solvents on phytochemical composition, and biological properties of Mentha longifolia L. leaf extracts
Authors: Tourabi Meryem , Metouekel Amira , ghouizi Asmae E. L. , Jeddi Mohamed , Nouioura Ghizlane , Laaroussi Hassan , Hosen Md. Eram , Benbrahim Kawtar Fikri , Bourhia Mohammed , Salamatullah Ahmad Mohammad , Nafidi Hiba-Allah , Wondmie Gezahign Fentahun , Lyoussi Badiaa , Derwich Elhoussine
Published: October 2023

The current work attempts to explore the influence of three extraction solvents on phytochemical composition, content of polyphenols, antioxidant potential, and antibacterial capacity of hydroethanolic, acetonic, and aqueous extracts from Moroccan Mentha longifolia leaves. To achieve this goal, the chemical composition was identified using an HPLC–DAD examination. The contents of polyphenols were assessed, while the total antioxidant capacity (TAC), the DPPH test, and the reducing power test (RP) were utilized to determine antioxidant capacity. To assess the antibacterial activity, the microdilution technique was carried out to calculate the minimum inhibitory (MIC) and minimum bactericidal concentrations (MBC) of extracts against four nosocomial bacteria (Bacillus cereus, Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus). Additionally, the antibacterial and antioxidant activities of all tested extracts were examined in silico against the proteins NADPH oxidase and Bacillus cereus phospholipase C. Study reveals that M. longifolia extracts contain high phenolic and flavonoids. Additionally, the hydroethanolic extract contained the highest amounts of phenolic and flavonoid content, with values of 23.52 ± 0.14 mg Gallic acid equivalent/g dry weight and 17.62 ± 0.36 mg Quercetin Equivalent/g dry weight, respectively compared to the other two extracts. The same extract showed the best antioxidant capacity (IC50 = 39 µg/mL ± 0.00), and the higher RP (EC50 of 0.261 ± 0.00 mg/mL), compared to the acetonic and aqueous extract regarding these tests. Furthermore, the hydroethanolic and acetonic extracts expressed the highest TAC (74.40 ± 1.34, and 52.40 ± 0.20 mg EAA/g DW respectively), compared with the aqueous extract. Regarding antibacterial activity, the MIC value ranges between 1.17 and 12.50 mg/mL. The in-silico results showed that the antibacterial activity of all extracts is principally attributed to kaempferol and ferulic acid, while antioxidant capacity is attributed to ferulic acid.
An improved approach of totally visceral sac separation (TVS) for incisional hernia compared with laparoscopic intraperitoneal onlay mesh plus repair (IPOM plus)
Authors: Zhuang Bo , Zheng Lushan , Yu Shian , Li Gang
Published: October 2023

Endoscopic techniques have been widely used in ventral hernia surgery. Totally visceral sac separation (TVS) is a new concept proposed for hernia repair in recent years. The aim of this study was to contrast the postoperative results of TVS with the widely used method of Laparoscopic intraperitoneal onlay mesh plus repair (IPOM plus) for incisional hernias. The retrospective comparison analysis of 38 IPOM plus and 34 TVS was conducted during the time period between December 2019 and June 2022. For both two groups, baseline characteristics, surgical records, postoperative information, and quality of life outcomes utilizing the Carolina’s Comfort Scale were collected and analyzed. There were no differences between the methods of TVS and IPOM plus among the baseline characteristics. It showed the operative time in TVS group with the mean time of 213.4 min was significantly longer than that in IPOM plus group with the mean time of 182.9 min (P = 0.010). The postoperative length of stay in TVS group was 6.2 days, which was significantly shorter than IPOM plus group with the mean time of 4.8 days (P = 0.011). The medical expenses was significantly smaller in TVS group than that in IPOM plus group (P < 0.001). The quality of life scores of TVS were significant better than IPOM plus at one week, one month and six months. Besides, both TVS and IPOM plus have very few complications. TVS approach for incisional hernias is secure, effective, and valuable. It has shorter postoperative length of stay, higher quality of life, longer operative time, smaller medical expenses, and approximate complications compared with IPOM plus procedure. Our results have a greater contribution to the application and popularization of TVS technique.
Shrimp (Penaeus vannamei) survive white spot syndrome virus infection by behavioral fever
Authors: Rakhshaninejad Mostafa , Zheng Liping , Nauwynck Hans
Published: October 2023

Both endotherms and ectotherms may raise their body temperature to limit pathogen infection. Endotherms do this by increasing their basal metabolism; this is called ‘fever’. Ectotherms do this by migrating to warmer places; this is called ‘behavioral fever’. White spot syndrome virus (WSSV) is the most lethal pathogen of cultured shrimp. This study examined the existence of behavioral fever in WSSV-infected Penaeus vannamei shrimp. Shrimp weighing 15 ± 0.5 g were inoculated intramuscularly with WSSV and kept in a four-compartment system (4-CS) with all the chambers at 27 °C or with a thermal gradient (27–29–31–33 °C). During the first 4 days post-inoculation, 94% of the WSSV-inoculated shrimp died in the 4-CS with a fixed temperature (27 °C), while only 28% died in the 4-CS with a temperature gradient. The inoculated animals clearly demonstrated a movement towards the warmer compartments, whereas this was not the case with the mock- and non-inoculated animals. With primary lymphoid organ cell cultures, it was demonstrated that the increase of temperature from 27–29 °C to 31–33 °C inhibits virus replication. It is concluded that behavioral fever is used by shrimp to elevate their temperature when infected with WSSV. Behavioral fever prevents WSSV infection and mortality.
Assessment of expression of calcium signaling related lncRNAs in epilepsy
Authors: Taheri Mohammad , Pourtavakoli Ashkan , Eslami Solat , Ghafouri-Fard Soudeh , Sayad Arezou
Published: October 2023

Calcium signaling is a metabolic pathway that is essential in neurons development and can be involved in the pathobiology of epilepsy. We assessed expression of three mRNA coding gene (SLC1A1,SLC25A12, andATP2B2) and three related long non-coding RNAs (LINC01231:1,lnc-SLC25A12-8:1and lnc-MTR-1:1) from this pathway in 39 patients with refractory epilepsy and 71 healthy controls. Expression of all genes except for lnc-SLC25A12 was higher in total epileptic cases compared with controls (P values = 0.0002, < 0.0001, < 0.0001, 0.049 and 0.0005 for SLC1A1, SLC25A12, LINC01231, ATP2B2 and lnc-MTR-1, respectively. When we separately compared expression of genes among males and females, SLC1A1, SLC25A12, LINC01231 and lnc-MTR-1 showed up-regulation in male cases compared with male controls. Moreover, expressions of SLC1A1 and SLC25A12 were higher in female cases compared with female controls. Remarkably, SLC25A12 was found to have the highest sensitivity value (= 1) for differentiation of epileptic cases from controls. Moreover, lnc-MTR-1 and lnc-SLC25A12 were sensitive markers for such purpose (sensitivity values = 0.89 and 0.87, respectively). The highest value belonged to LINC01231 with the value of 0.76. Taken together, this study demonstrates dysregulation of calcium-signaling related genes in epileptic patients and suggests these genes as potential biomarkers for epilepsy.
Simulation and optimization of the impacts of metal-organic frameworks on the hydrogen adsorption using computational fluid dynamics and artificial neural networks
Authors: Pourrahmani Hossein , Mohammadi Mohammad Hadi , Pourhasani Bahar , Gharehghani Ayat , Moghimi Mahdi , Van herle Jan
Published: October 2023

One of the barriers to further commercialization of the proton exchange membrane fuel cell (PEMFC) is hydrogen storage. Conventional methods are based on pressurizing the hydrogen up to 700 bar. The focus of this study is to characterize the hydrogen storage capacity of hydrogen tanks filled with MOF-5 at low pressures. Thus, Computational Fluid Dynamic (CFD) was used in a transient condition to analyze the hydrogen storage. Benefiting from the CFD model, three input parameters of the MOF-5, namely, density, specific heat, and conductivity, were utilized to develop an artificial neural network (ANN) model to find the highest mass of adsorption at the lowest required pressure. The optimum possible MOF among 729220 different possibilities, which enables the adsorption of 0.0099 kg at 139 bar, was found using a newly defined parameter called Pressure Adsorption Parameter (PAP).
Psychological status of patients with functional anorectal pain and treatment efficacy of paroxetine in alleviating the symptoms: a retrospective study
Authors: Fan Mingfeng , Li Laian , Xu Xiangjun , Zhou Cong , Wang Peng , Yin Wanbin , Pei Wenju , Wang Shuai
Published: October 2023

The aim of this study was to investigate the clinical characteristics, psychological status, sleep quality, and quality of life of patients with functional anorectal pain (FAP). The study also assessed the treatment efficacy of paroxetine in alleviating FAP symptoms. A retrospective comparative study of forty-three patients with FAP who were first treated with an anal plug compound glycolate suppository versus paroxetine combined with anal plug compound glycolate suppository between November 2021 and August 2022. Pain, quality of life, depression, anxiety and sleep quality were assessed before and after treatment by the Chinese version of the Short-Form McGill Pain Questionnaire-2 (SF-MPQ-2), Health-related quality of life scale (The 12-Item Short-Form Health Survey, SF-12), 17-item Hamilton Depression Rating Scale (HDRS), 14-item Hamilton Anxiety Scale (HAMA), and Pittsburgh Sleep Quality Index (PSQI). A total of 46.5% of patients with FAP were found to have anxiety symptoms (HAMA ≥ 7), 37.2% of patients with FAP were found to have depressive symptoms (HDRS ≥ 8). A total of 32.6% of patients with FAP had sleep disorders (PSQI > 10). Within 1 week after drug withdrawal, the short-term efficacy rate of oral paroxetine was 95.5%. After treatment, the symptom pain score (VAS) and sleep score were lower than those before treatment (P < 0.01). In the areas of vitality (VT), Social Functioning (SF), and Mental Health (MH), the difference between the pre-treatment and 8 weeks posttreatment scores of the study group and the control group was statistically significant (P < 0.05). FAP patients have obvious symptoms of anxiety and depression, and the incidence of sleep disturbance is prevalent. Paroxetine, a typical serotonin reuptake inhibitor (SSRI), was able to alleviate depression, anxiety, and pain symptoms in FAP, which might have clinical application prospects.
The response of zooplankton network indicators to winter water warming using shallow artificial reservoirs as model case study
Authors: Goździejewska Anna Maria , Kruk Marek
Published: October 2023

To predict the most likely scenarios, the consequences of the rise in water surface temperature have been studied using various methods. We tested the hypothesis that winter water warming significantly alters the importance and nature of the relationships in zooplankton communities in shallow reservoirs. These relationships were investigated using network graph analysis for three thermal variants: warm winters (WW), moderate winters (MW) and cold winters (CW). The CW network was the most cohesive and was controlled by eutrophic Rotifera and Copepoda, with a corresponding number of positive and negative interspecific relationships. An increase in water temperature in winter led to a decrease in the centrality of MW and WW networks, and an increase in the importance of species that communicated with the highest number of species in the subnetworks. The WW network was the least cohesive, controlled by psammophilous and phytophilous rotifers, and littoral cladocerans. Adult copepods were not identified in the network and the importance of antagonistic relationships decreased, indicating that the WW network structure was weak and unstable. This study can serve as a model for generalisations of zooplankton community response to the disappearance of long winter periods of low temperatures, as predicted in global climate change projections.
Adversarial and variational autoencoders improve metagenomic binning
Authors: Líndez Pau Piera , Johansen Joachim , Kutuzova Svetlana , Sigurdsson Arnor Ingi , Nissen Jakob Nybo , Rasmussen Simon
Published: October 2023

Assembly of reads from metagenomic samples is a hard problem, often resulting in highly fragmented genome assemblies. Metagenomic binning allows us to reconstruct genomes by re-grouping the sequences by their organism of origin, thus representing a crucial processing step when exploring the biological diversity of metagenomic samples. Here we present Adversarial Autoencoders for Metagenomics Binning (AAMB), an ensemble deep learning approach that integrates sequence co-abundances and tetranucleotide frequencies into a common denoised space that enables precise clustering of sequences into microbial genomes. When benchmarked, AAMB presented similar or better results compared with the state-of-the-art reference-free binner VAMB, reconstructing ~7% more near-complete (NC) genomes across simulated and real data. In addition, genomes reconstructed using AAMB had higher completeness and greater taxonomic diversity compared with VAMB. Finally, we implemented a pipeline Integrating VAMB and AAMB that enabled improved binning, recovering 20% and 29% more simulated and real NC genomes, respectively, compared to VAMB, with moderate additional runtime.
Data-driven detection of critical points of phase transitions in complex systems
Authors: Tao Peng , Du Chenghang , Xiao Yi , Zeng Chen
Published: October 2023

Detecting the critical points of phase transitions and their driver factors in complex systems from data is a very challenging task. In these regards, the dynamic network biomarker/marker (DNB) method derived from the bifurcation theory is currently very popular, but a unified criterion to pick the most appropriate DNBs is lacking. Here, we propose a giant-component-based DNB (GDNB) method inspired by the percolation theory, that directly selects the largest DNB as the transition core to reflect the progress of the transition. We test the effectiveness of this scheme to detect transitions on three distinct systems, differing in terms of interactions and transitions: Monte Carlo simulations of the 2D Ising model, molecular dynamics simulations of protein folding, and measured gene expression time course in mouse muscle regeneration. These results suggest that the GDNB method inherits all the advantages of the DNB method, while it improves the interpretability at a reduced computational complexity.
DNA sequencing, microbial indicators, and the discovery of buried kimberlites
Authors: Simister Rachel L. , Iulianella Phillips Bianca P. , Wickham Andrew P. , Cayer Erika M. , Hart Craig J. R. , Winterburn Peter A. , Crowe Sean A.
Published: October 2023

Population growth and technological advancements are placing growing demand on mineral resources. New and innovative exploration technologies that improve detection of deeply buried mineralization and host rocks are required to meet these demands. Here we used diamondiferous kimberlite ore bodies as a test case and show that DNA amplicon sequencing of soil microbial communities resolves anomalies in microbial community composition and structure that reflect the surface expression of kimberlites buried under 10 s of meters of overburden. Indicator species derived from laboratory amendment experiments were employed in an exploration survey in which the species distributions effectively delineated the surface expression of buried kimberlites. Additional indicator species derived directly from field observations improved the blind discovery of kimberlites buried beneath similar overburden types. Application of DNA sequence-based analyses of soil microbial communities to mineral deposit exploration provides a powerful illustration of how genomics technologies can be leveraged in the discovery of critical new resources.
Atlantic inflow and low sea-ice cover in the Nordic Seas promoted Fennoscandian Ice Sheet growth during the Last Glacial Maximum
Authors: Simon Margit H. , Rutledal Sunniva , Menviel Laurie , Zolles Tobias , Haflidason Haflidi , Born Andreas , Berben Sarah M. P. , Dokken Trond M.
Published: October 2023

The Atlantic water inflow into the Nordic Seas has proven difficult to reconstruct for the Last Glacial Maximum. At that time, the Fennoscandian Ice Sheet grew potentially to its maximum extent. Sea-ice free conditions in the eastern Nordic Seas have been proposed as an essential moisture source contributing to this build-up. It has been hypothesized that the inflow of warm and saline Atlantic surface waters was important for maintaining these seasonally sea-ice free conditions in the Nordic Seas at that time. However, the difference between a perennially frozen ocean and a seasonally open ocean on ice sheet build-up remains unquantified. Here we use, tephra-constrained surface ventilation ages from a network of marine sediment cores and model experiments, to show that Atlantic inflow to the southern Nordic Seas likely occurred predominately via the Iceland-Faroe Atlantic inflow pathway helping to maintain seasonal open waters at the onset of the Last Glacial Maximum. Using a numerical snow model, we further demonstrate that such open-ocean conditions may have been a factor contributing to the Fennoscandian Ice Sheet growth with up to ~150% increase in surface mass balance over Norwegian coastal areas, compared to sea-ice covered conditions.
Nutrient use efficiency has decreased in southwest China since 2009 with increasing risk of nutrient excess
Authors: Liao Guitang , Wang Yongdong , Yu Haiying , He Peng , Lin Zhengyu , Dai Tianfei , Xu Chenghua , Li Tinxuan
Published: October 2023

The optimal application of nutrients, such as nitrogen and phosphorus, to the soil is crucial for achieving high crop yields with minimal environmental impact. However, the effect of spatio-temporal changes in soil nutrient supply on crop yield is poorly understood in China. Here, we present a framework that combines environmental data, fertilizer field experiments, and machine learning to estimate the rice yield responses to different nutrient conditions and overall farmland nutrient sustainability in southwest China from 2009 to 2019. The results show that the fertilizer input has contributed to the long-term increase in rice yield over the past ten years. The fertilizer use has increased rice yield by 2.3–2.4 tons per hectare per year. However, the nutrient use efficiency decreased, with the fertilizer contribution ratio declining from 29.3% in 2009 to 27.5% in 2019. Further, 19% of the rice-growing farmlands are at risk of nutrient excess, and 36% are at risk of nutrient degradation. Controlling nitrogen and phosphorus input is key to nutrient regulation, and our approach may guide the sustainable use of nutrient resources on farmlands.
The importance of accounting for equity in disaster risk models
Authors: Soden Robert , Lallemant David , Kalirai Manveer , Liu Celine , Wagenaar Dennis , Jit Sophia
Published: October 2023

Societal efforts to understand and mitigate threats posed by hazards are often informed by complex disaster risk models. Despite research demonstrating the disproportionate effects of disasters on vulnerable groups, current risk modeling approaches lack robust methods to account for such equity concerns. Consequently, efforts to develop evidence-based disaster risk management interventions may lack awareness of differential risks in the settings where they are applied. Here, we draw on the relevant literature to develop a typology for characterizing current approaches to incorporating equity into risk modeling. Using this typology, we then evaluated 69 risk assessments conducted by major international development organizations. We found that only ~ 28% of risk models attempt a quantitative evaluation of the differential impacts of disasters and climate change. We then used an equity-sensitive approach to reconstruct a recent risk assessment and show that important elements are missed when equity is excluded in disaster risk modeling.
Linking differences in microbial network structure with changes in coral larval settlement
Authors: Turnlund Abigail C , Vanwonterghem Inka , Botté Emmanuelle S , Randall Carly J , Giuliano Christine , Kam Lisa , Bell Sara , O’Brien Paul , Negri Andrew P , Webster Nicole S , Lurgi Miguel
Published: October 2023

Coral cover and recruitment have decreased on reefs worldwide due to climate change-related disturbances. Achieving reliable coral larval settlement under aquaculture conditions is critical for reef restoration programmes; however, this can be challenging due to the lack of reliable and universal larval settlement cues. To investigate the role of microorganisms in coral larval settlement, we undertook a settlement choice experiment with larvae of the coral Acropora tenuis and microbial biofilms grown for different periods on the reef and in aquaria. Biofilm community composition across conditioning types and time was profiled using 16S and 18S rRNA gene sequencing. Co-occurrence networks revealed that strong larval settlement correlated with diverse biofilm communities, with specific nodes in the network facilitating connections between modules comprised of low- vs high-settlement communities. Taxa associated with high-settlement communities were identified as Myxoccales sp., Granulosicoccus sp., Alcanivoraceae sp., unassigned JTB23 sp. (Gammaproteobacteria), and Pseudovibrio denitrificans. Meanwhile, taxa closely related to Reichenbachiella agariperforans, Pleurocapsa sp., Alcanivorax sp., Sneathiella limmimaris, as well as several diatom and brown algae were associated with low settlement. Our results characterise high-settlement biofilm communities and identify transitionary taxa that may develop settlement-inducing biofilms to improve coral larval settlement in aquaculture.
Effect of thermal gradients on inhomogeneous degradation in lithium-ion batteries
Authors: Li Shen , Zhang Cheng , Zhao Yan , Offer Gregory J. , Marinescu Monica
Published: October 2023

Understanding lithium-ion battery degradation is critical to unlocking their full potential. Poor understanding leads to reduced energy and power density due to over-engineering, or conversely to increased safety risks and failure rates. Thermal management is necessary for all large battery packs, yet experimental studies have shown that the effect of thermal management on degradation is not understood sufficiently. Here we investigated the effect of thermal gradients on inhomogeneous degradation using a validated three-dimensional electro-thermal-degradation model. We have reproduced the effect of thermal gradients on degradation by running a distributed model over hundreds of cycles within hours and reproduced the positive feedback mechanism responsible for the accelerated rate of degradation. Thermal gradients of just 3 °C within the active region of a cell produced sufficient positive feedback to accelerate battery degradation by 300%. Here we show that the effects of inhomogeneous temperature and currents on degradation cannot and should not be ignored. Most attempts to reproduce realistic cell level degradation based upon a lumped model (i.e. no thermal gradients) have suffered from significant overfitting, leading to incorrect conclusions on the rate of degradation.
Structures, principles, and properties of metamaterial perfect absorbers
Authors: Zhao Chenxu , Wang Huan , Bu Yanyan , Zou Hui , Wang Xiangfu
Published: October 2023

We reviewed the design of MPAs from microwave to optical bands. Firstly, we introduced the absorption mechanism of MPA. Then, the design methods of the four aspects are expanded. Finally, we discussed the issues and challenges of existing MPAs.
Kinetic pathways of fast lithium transport in solid electrolyte interphases with discrete inorganic components
Authors: Yu Yikang , Koh Hyeongjun , Zhang Zisheng , Yang Zhenzhen , Alexandrova Anastassia N. , Agarwal Mangilal , Stach Eric A. , Xie Jian
Published: October 2023

One step pore diffusion mechanism of lithium ion transport in the solid electrolyte interphase (SEI) layer with discrete inorganic components enables the fast lithium conduction without slow solid state diffusion process.
A simple copper(ii) dppy-based receptor for sensing of l-cysteine and l-histidine in aqueous acetonitrile medium
Authors: Das Dipankar , Roy Aritra , Sutradhar Sourav , Fantuzzi Felipe , Ghosh Biswa Nath
Published: October 2023

A novel copper(ii)-dppy receptor enables rapid and sensitive detection of l-cysteine and l-histidine, exhibiting exceptional selectivity and early-stage identification potential.
Safety of lithium battery materials chemistry
Authors: Feng Xuning , Ren Dongsheng , Ouyang Minggao
Published: October 2023

This perspective discusses battery safety. A reaction zone model linking thermal runaway and fire is proposed for liquid electrolytes. On solid electrolytes, five issues require further study. Safety modelling that accelerates R&D is also mentioned.
Investigation of active voltage support control approach of DC distribution networks based on virtual inertia coordination
Authors: Chen Lei , Jiang Yuqi , Zhao Zekai , Zheng Shencong , Li Yifei , Chen Hongkun
Published: October 2023

DC distribution networks (DCDNs) possess the advantages of high power efficiency, low operation loss, and favourable control flexibility, and are regarded as an essential form of future power distribution systems. In order to increase the voltage transient performance of DCDNs against disturbances, this paper proposes a methodology for realising the active voltage support control of DCDNs based on virtual inertia coordination. Firstly, the impact of the inertia of DCDNs towards the transient voltage change is analysed, and the active voltage support mechanism considering the variable droop inertia control and virtual DC motor inertia (VDCMI) control is explored. Then, a time sequence coordination strategy based on the voltage grading of DCDNs is developed, and an adaptive inertia coefficient is designed to achieve the inertia adjustment in terms of the voltage sag and recovery processes. Using MATLAB/Simulink, a detailed model of the double‐terminal DCDNs is created to check the efficacy of the proposed approach. Different voltage disturbance scenarios are imitated, and the comparative simulations demonstrate that the proposed approach can fully utilise the inertia potential of the DCDNs to suppress the voltage sag and smooth the voltage recovery procedure. The proposed method's validity and feasibility can be well validated.

The cover image is based on the Original Article Investigation of active voltage support control approach of DC distribution networks based on virtual inertia coordination by Lei Chen et al., https://doi.org/10.1049/esi2.12123.
A high step‐up coupled‐inductor‐based dc‐dc converter with a wide duty cycle range and improved gain‐to‐element ratio
Authors: Karimi Hajiabadi Mostafa , Lahooti Eshkevari Alireza , Abdoli Iman , Mosallanejad Ali , Salemnia Ahmad
Published: October 2023

Most high‐gain step‐up dc‐dc structures operate with a limited duty cycle and suffer from a high component count, limiting their application. This paper addresses these problems by proposing a new step‐up dc‐dc converter that provides a high conversion ratio with few elements. Two coupled inductors are used instead of conventional voltage multiplier cells to improve the gain without excessive components. The topology includes one switch whose duty cycle is not limited and can vary between zero and one according to the output voltage condition. It has been placed on the low‐voltage side of the converter that encounters low‐voltage stress. It is selected from low‐voltage rating switches with small on‐resistance, which reduces the conduction loss of the switch and improves the efficiency. High boost factor, high efficiency, reasonable component counts, improved gain‐to‐element ratio, and low voltage stress on the switch distinguishe the converter from their counterparts. The topology also benefits from the common‐ground feature. However, its input current waveform is pulsating. This article describes the theory and operation principle of the topology in detail. Experimental results are represented to evaluate the converter's performance and operation. In this case, a 240 W prototype has been designed and fabricated. Results confirm the above claims.