bluuebunny/crossref_metadata_2025 huggingface dataset:
GMPP-NN: a deep learning architecture for graph molecular property prediction
Authors: Abbassi Outhman , Ziti Soumia , Belhiah Meryam , Lagmiri Souad Najoua , Zaoui Seghroucheni Yassine
Published: June 2024

The pharmacy industry is highly focused on drug discovery and development for the identification and optimization of potential drug candidates. One of the key aspects of this process is the prediction of various molecular properties that justify their potential effectiveness in treating specific diseases. Recently, graph neural networks have gained significant attention, primarily due to their strong suitability for predicting complex relationships that exist between atoms and other molecular structures. GNNs require significant depth to capture global features and to allow the network to iteratively aggregate and propagate information across the entire graph structure. In this research study, we present a deep learning architecture known as a graph molecular property prediction neural network. which combines MPNN feature extraction with a multilayer perceptron classifier. The deep learning architecture was evaluated on four benchmark datasets, and its performance was compared to the smiles transformer, fingerprint to vector, deeper graph convolutional networks, geometry-enhanced molecular, and atom-bond transformer-based message-passing neural network. The results showed that the architecture outperformed the other models using the receiver operating characteristic area under the curve metric. These findings offer an exciting opportunity to enhance and improve molecular property prediction in drug discovery and development.
Electronic, magnetic and optical properties of CoNi spinel ferrites doped by rare earth atoms: a density functional theory study
Authors: Caliskan Serkan , Rodriguez Adelina M. , Alexander Stefan , Almessiere Munirah A. , Baykal Abdulhadi , Slimani Yassine
Published: June 2024

Density Functional Theory is employed to investigate how specific rare earth (RE) dopants (Pr, Y, Dy) affect the electronic, magnetic, and optical characteristics of Co0.5Ni0.5Fe2O4 (CN) spinel ferrites. The impact of RE atoms, which replace Fe ions in the supercell, is elucidated by analyzing the spin-resolved density of states, magnetic moment, and optical parameters. The findings demonstrate that both single and collective RE doping play a vital role in manipulating the key properties of these materials. Notably, we reveal that incorporating RE dopants into CN structures leads to a reduction in the energy band gap. Additionally, this work underscores substantial spin-dependent behavior and provides valuable insights into optical properties, suggesting that RE-doped CNs hold significant potential in the fields of spintronics and optoelectronics.
Assessment of the AquaCrop model to simulate the impact of soil fertility management on evapotranspiration, yield, and water productivity of maize (Zea May L.) in the sub-humid agro-ecology of Nigeria
Authors: Adeboye Omotayo B. , Schultz Bart , Adeboye Amaka P. , Chukalla Abebe , Shittu Kabiru A.
Published: June 2024

Field experiments were conducted for two seasons in Ile-Ife, Nigeria to evaluate the performance of the AquaCrop model in simulating the effects of soil fertility management on the canopy cover (CC), soil water storages (SWS), cumulative aboveground biomass (BM), evapotranspiration (ETa), grain yields, and water productivity (WP) of rainfed maize. Six levels of soil fertility management and two cultivars of maize, SUWAN 1-SR and PVA led to a 2 by 6 factorial experimental treatment and arranged in a randomized complete block design. Agronomic and environmental parameters were measured for two consecutive seasons. The AquaCrop model was calibrated using data from the wetter year. The AquaCrop model captured well the variances in the CC, R2 ≥ 0.88, RMSE ≤ 14.2, and d-index ≥ 0.97 under full and stressed soil fertility. Although the AquaCrop model over and underestimated SWS, it is still within acceptable limits. The model simulated SWS well, R2 ≥ 0.71, EF ≥ 0.97, and d-index ≥ 0.97. AquaCrop tends to underestimate ETa under rainfall and NPK variabilities. The AquaCrop model simulated grain yields excellently, R2 = 0.99, b = 1.00. The 150% of the recommended NPK application is suitable for the desired improvement in land and water productivity of the crop. The AquaCrop model predicted and captured the trends in the yields and water productivity of maize adequately under varying NPK applications. Further research is required on other cultivars of the crop and locations in the area in order to generalize the adequacy of the model.
Variability of Dissolved Organic Matter Sources in the Upper Eurasian Arctic Ocean
Authors: Kong Xianyu , Granskog Mats A. , Hoppe Clara J. M. , Fong Allison A. , Stedmon Colin A. , Tippenhauer Sandra , Ulfsbo Adam , Vredenborg Myriel , Koch Boris P.
Published: June 2024

Chromophoric dissolved organic matter (CDOM) is a ubiquitous component in marine environments, and substantial changes in its sources and distribution, related to the carbon cycle in the Arctic Ocean, are expected due to Arctic warming. In this study, we present unique CDOM data in the Eurasian Arctic Ocean derived from the year‐round MOSAiC expedition. We used CDOM absorbance spectra and fluorescence excitation‐emission matrices in combination with parallel factor analysis to characterize differences in DOM sources and composition. Our results suggested that terrestrial DOM was less sensitive to seasonal changes but controlled by regionality in hydrography. Elevated dissolved organic carbon (DOC) levels in polar surface water were primarily derived from terrigenous sources as identified by CDOM absorption and fluorescence characteristics. In the Amundsen Basin and western Fram Strait surface waters, to which terrestrial DOM is primarily transported by the Transpolar Drift, we found, on average, a 188% larger meteoric water fraction and a 40% higher DOC concentration compared to the Atlantic water that dominated western Nansen Basin and Yermak Plateau. In the Amundsen Basin, the DOC concentration in summer of surface water was only 13% higher compared to winter season. Additionally, autochthonous DOM and chlorophyll‐a concentrations were relatively low in surface water and exhibited significant differences compared to those observed in summer, while there were significant differences between autochthonous DOM and chlorophyll‐a. We also observed that sea ice melt contributed to autochthonous DOM in summer, while storms in winter affected the vertical distribution of terrestrial and autochthonous DOM in the subsurface.
Navigating the Rapid Rivers of Policy
Authors: Micalizio Caryl-Sue
Published: June 2024

Scientific data and shared commitments help define new approaches to water management and science communication.
NOS2-derived low levels of NO drive psoriasis pathogenesis
Authors: Köhler Ines , Bivik Eding Cecilia , Kasic Nada-Katarina , Verma Deepti , Enerbäck Charlotta
Published: June 2024

Psoriasis is an IL-23/Th17-mediated skin disorder with a strong genetic predisposition. The impact of its susceptibility gene nitric oxide synthase 2 (NOS2) remains unknown. Here, we demonstrate strong NOS2 mRNA expression in psoriatic epidermis, an effect that is IL-17 dependent. However, its complete translation to protein is prevented by the IL-17-induced miR-31 implying marginally upregulated NO levels in psoriatic skin. We demonstrate that lower levels of NO, as opposed to higher levels, increase keratinocyte proliferation and mediate IL-17 downstream effects. We hypothesized that the psoriatic phenotype may be alleviated by either eliminating or increasing cellular NO levels. In fact, using the imiquimod psoriasis mouse model, we found a profound impact on the psoriatic inflammation in both IMQ-treated NOS2 KO mice and wild-type mice treated with IMQ and the NO-releasing berdazimer gel. In conclusion, we demonstrate that IL-17 induces NOS2 and fine-tunes its translation towards a window of proinflammatory and hyperproliferative effects and identify NO donor therapy as a new treatment modality for psoriasis.
Imputation of label-free quantitative mass spectrometry-based proteomics data using self-supervised deep learning
Authors: Webel Henry , Niu Lili , Nielsen Annelaura Bach , Locard-Paulet Marie , Mann Matthias , Jensen Lars Juhl , Rasmussen Simon
Published: June 2024

Imputation techniques provide means to replace missing measurements with a value and are used in almost all downstream analysis of mass spectrometry (MS) based proteomics data using label-free quantification (LFQ). Here we demonstrate how collaborative filtering, denoising autoencoders, and variational autoencoders can impute missing values in the context of LFQ at different levels. We applied our method, proteomics imputation modeling mass spectrometry (PIMMS), to an alcohol-related liver disease (ALD) cohort with blood plasma proteomics data available for 358 individuals. Removing 20 percent of the intensities we were able to recover 15 out of 17 significant abundant protein groups using PIMMS-VAE imputations. When analyzing the full dataset we identified 30 additional proteins (+13.2%) that were significantly differentially abundant across disease stages compared to no imputation and found that some of these were predictive of ALD progression in machine learning models. We, therefore, suggest the use of deep learning approaches for imputing missing values in MS-based proteomics on larger datasets and provide workflows for these.
Restricting datasets to classifiable samples augments discovery of immune disease biomarkers
Authors: Glehr Gunther , Riquelme Paloma , Kronenberg Katharina , Lohmayer Robert , López-Madrona Víctor J. , Kapinsky Michael , Schlitt Hans J. , Geissler Edward K. , Spang Rainer , Haferkamp Sebastian , Hutchinson James A.
Published: June 2024

Immunological diseases are typically heterogeneous in clinical presentation, severity and response to therapy. Biomarkers of immune diseases often reflect this variability, especially compared to their regulated behaviour in health. This leads to a common difficulty that frustrates biomarker discovery and interpretation – namely, unequal dispersion of immune disease biomarker expression between patient classes necessarily limits a biomarker’s informative range. To solve this problem, we introduce dataset restriction, a procedure that splits datasets into classifiable and unclassifiable samples. Applied to synthetic flow cytometry data, restriction identifies biomarkers that are otherwise disregarded. In advanced melanoma, restriction finds biomarkers of immune-related adverse event risk after immunotherapy and enables us to build multivariate models that accurately predict immunotherapy-related hepatitis. Hence, dataset restriction augments discovery of immune disease biomarkers, increases predictive certainty for classifiable samples and improves multivariate models incorporating biomarkers with a limited informative range. This principle can be directly extended to any classification task.
IFNγ causes mitochondrial dysfunction and oxidative stress in myositis
Authors: Abad Catalina , Pinal-Fernandez Iago , Guillou Clement , Bourdenet Gwladys , Drouot Laurent , Cosette Pascal , Giannini Margherita , Debrut Lea , Jean Laetitia , Bernard Sophie , Genty Damien , Zoubairi Rachid , Remy-Jouet Isabelle , Geny Bernard , Boitard Christian , Mammen Andrew , Meyer Alain , Boyer Olivier
Published: June 2024

Idiopathic inflammatory myopathies (IIMs) are severe autoimmune diseases with poorly understood pathogenesis and unmet medical needs. Here, we examine the role of interferon γ (IFNγ) using NOD female mice deficient in the inducible T cell co-stimulator (Icos), which have previously been shown to develop spontaneous IFNγ-driven myositis mimicking human disease. Using muscle proteomic and spatial transcriptomic analyses we reveal profound myofiber metabolic dysregulation in these mice. In addition, we report muscle mitochondrial abnormalities and oxidative stress in diseased mice. Supporting a pathogenic role for oxidative stress, treatment with a reactive oxygen species (ROS) buffer compound alleviated myositis, preserved muscle mitochondrial ultrastructure and respiration, and reduced inflammation. Mitochondrial anomalies and oxidative stress were diminished following anti-IFNγ treatment. Further transcriptomic analysis in IIMs patients and human myoblast in vitro studies supported the link between IFNγ and mitochondrial dysfunction observed in mice. These results suggest that mitochondrial dysfunction, ROS and inflammation are interconnected in a self-maintenance loop, opening perspectives for mitochondria therapy and/or ROS targeting drugs in myositis.
Predicting host range expansion in parasitic mites using a global mammalian-acarine dataset
Authors: Klimov Pavel B. , He Qixin
Published: June 2024

Multi-host parasites pose greater health risks to wildlife, livestock, and humans than single-host parasites, yet our understanding of how ecological and biological factors influence a parasite’s host range remains limited. Here, we assemble the largest and most complete dataset on permanently parasitic mammalian mites and build a predictive model assessing the probability of single-host parasites to become multi-hosts, while accounting for potentially unobserved host-parasite links and class imbalance. This model identifies statistically significant predictors related to parasites, hosts, climate, and habitat disturbance. The most important predictors include the parasite’s contact level with the host immune system and two variables characterizing host phylogenetic similarity and spatial co-distribution. Our model reveals an overrepresentation of mites associated with Rodentia (rodents), Chiroptera (bats), and Carnivora in the multi-host risk group. This highlights both the potential vulnerability of these hosts to parasitic infestations and the risk of serving as reservoirs of parasites for new hosts. In addition, we find independent macroevolutionary evidence that supports our prediction of several single-host species of Notoedres, the bat skin parasites, to be in the multi-host risk group, demonstrating the forecasting potential of our model.
METTL3-mediated chromatin contacts promote stress granule phase separation through metabolic reprogramming during senescence
Authors: Wang Chen , Tanizawa Hideki , Hill Connor , Havas Aaron , Zhang Qiang , Liao Liping , Hao Xue , Lei Xue , Wang Lu , Nie Hao , Qi Yuan , Tian Bin , Gardini Alessandro , Kossenkov Andrew V. , Goldman Aaron , Berger Shelley L. , Noma Ken-ichi , Adams Peter D. , Zhang Rugang
Published: June 2024

METTL3 is the catalytic subunit of the methyltransferase complex, which mediates m6A modification to regulate gene expression. In addition, METTL3 regulates transcription in an enzymatic activity-independent manner by driving changes in high-order chromatin structure. However, how these functions of the methyltransferase complex are coordinated remains unknown. Here we show that the methyltransferase complex coordinates its enzymatic activity-dependent and independent functions to regulate cellular senescence, a state of stable cell growth arrest. Specifically, METTL3-mediated chromatin loops induce Hexokinase 2 expression through the three-dimensional chromatin organization during senescence. Elevated Hexokinase 2 expression subsequently promotes liquid-liquid phase separation, manifesting as stress granule phase separation, by driving metabolic reprogramming. This correlates with an impairment of translation of cell-cycle related mRNAs harboring polymethylated m6A sites. In summary, our results report a coordination of m6A-dependent and -independent function of the methyltransferase complex in regulating senescence through phase separation driven by metabolic reprogramming.
Fructooligosaccharides benefits on glucose homeostasis upon high-fat diet feeding require type 2 conventional dendritic cells
Authors: Gélineau Adélaïde , Marcelin Geneviève , Ouhachi Melissa , Dussaud Sébastien , Voland Lise , Manuel Raoul , Baba Ines , Rouault Christine , Yvan-Charvet Laurent , Clément Karine , Tussiwand Roxane , Huby Thierry , Gautier Emmanuel L.
Published: June 2024

Diet composition impacts metabolic health and is now recognized to shape the immune system, especially in the intestinal tract. Nutritional imbalance and increased caloric intake are induced by high-fat diet (HFD) in which lipids are enriched at the expense of dietary fibers. Such nutritional challenge alters glucose homeostasis as well as intestinal immunity. Here, we observed that short-term HFD induced dysbiosis, glucose intolerance and decreased intestinal RORγt+ CD4 T cells, including peripherally-induced Tregs and IL17-producing (Th17) T cells. However, supplementation of HFD-fed male mice with the fermentable dietary fiber fructooligosaccharides (FOS) was sufficient to maintain RORγt+ CD4 T cell subsets and microbial species known to induce them, alongside having a beneficial impact on glucose tolerance. FOS-mediated normalization of Th17 cells and amelioration of glucose handling required the cDC2 dendritic cell subset in HFD-fed animals, while IL-17 neutralization limited FOS impact on glucose tolerance. Overall, we uncover a pivotal role of cDC2 in the control of the immune and metabolic effects of FOS in the context of HFD feeding.
Level of heavy metals and environmental pollution index in Ahvaz, Southwest Iran
Authors: Mansouri Moghadam Sara , Payandeh Khoshnaz , Koushafar Azita , Goosheh Mohioddin , Mohammadi Rouzbahani Maryam
Published: June 2024

This study was designed to evaluate the concentration of heavy metals (HMs) in the north of Ahvaz, southwest Iran. The soil samples were collected from the agricultural farm and riverside in Karun, for the investigation of the environmental impacts of the selected HMs in the soil of the Weiss and Arab Assad regions. For soil sampling in a period, nine farms were selected from each region, and 10 samples were taken from each agricultural farm. Zoning was done using GIS. The highest of Contamination Factor, Enrichment factor and geo-accumulation index of HMs for Cd (7.84, 73.92 and 2.38), and the lowest value of this index for Cr (0.21, 1.98 and − 2.82), respectively. Furthermore of the farm soil showed that the most toxic effect is related to Cd. The HMs contamination indices of the soil samples showed that the studied HMs had contaminated the agricultural fields. Moreover, the zoning maps of the Co, Cu, Pb and Cr showed that they had not contaminated the soil of wheat fields, but Cd and Zn revealed high contamination levels. The zoning of Ni concentration distribution showed that this metal contamination came from both anthropogenic aspects and geological activities in the region. According to our findings, the EF illustrated high levels of pollution for Cd, Cu, Cr, Pb, Ni, Fe, Mn, Co, and Zn, which seems to be in accordance with the accumulation of agricultural fertilizers (phosphate and nitrate), industrial and human activities in the region.
Nuclear rupture induced by capillary constriction forces promotes differential effects on metastatic and normal breast cells
Authors: Perea Paizal Julia , Au Sam H. , Bakal Chris
Published: June 2024

During metastatic dissemination, circulating tumour cells (CTCs) enter capillary beds, where they experience mechanical constriction forces. The transient and persistent effects of these forces on CTCs behaviour remain poorly understood. Here, we developed a high-throughput microfluidic platform mimicking human capillaries to investigate the impact of mechanical constriction forces on malignant and normal breast cell lines. We observed that capillary constrictions induced nuclear envelope rupture in both cancer and normal cells, leading to transient changes in nuclear and cytoplasmic area. Constriction forces transiently activated cGAS/STING and pathways involved in inflammation (NF-κB, STAT and IRF3), especially in the non-malignant cell line. Furthermore, the non-malignant cell line experienced transcriptional changes, particularly downregulation of epithelial markers, while the metastatic cell lines showed minimal alterations. These findings suggest that mechanical constriction forces within capillaries may promote differential effects in malignant and normal cell lines.
Integration of molecular docking and molecular dynamics simulations with subtractive proteomics approach to identify the novel drug targets and their inhibitors in Streptococcus gallolyticus
Authors: Chao Peng , Zhang Xueqin , Zhang Lei , Yang Aiping , Wang Yong , Chen Xiaoyang
Published: June 2024

Streptococcus gallolyticus (Sg) is a non-motile, gram-positive bacterium that causes infective endocarditis (inflammation of the heart lining). Because Sg has gained resistance to existing antibiotics and there is currently no drug available, developing effective anti-Sg drugs is critical. This study combined core proteomics with a subtractive proteomics technique to identify potential therapeutic targets for Sg. Several bioinformatics approaches were used to eliminate non-essential and human-specific homologous sequences from the bacterial proteome. Then, virulence, druggability, subcellular localization, and functional analyses were carried out to specify the participation of significant bacterial proteins in various cellular processes. The pathogen’s genome contained three druggable proteins, glucosamine-1phosphate N-acetyltransferase (GlmU), RNA polymerase sigma factor (RpoD), and pantetheine-phosphate adenylyltransferase (PPAT) which could serve as effective targets for developing novel drugs. 3D structures of target protein were modeled through Swiss Model. A natural product library containing 10,000 molecules from the LOTUS database was docked against therapeutic target proteins. Following an evaluation of the docking results using the glide gscore, the top 10 compounds docked against each protein receptor were chosen. LTS001632, LTS0243441, and LTS0236112 were the compounds that exhibited the highest binding affinities against GlmU, PPAT, and RpoD, respectively, among the compounds that were chosen. To augment the docking data, molecular dynamics simulations and MM-GBSA binding free energy were also utilized. More in-vitro research is necessary to transform these possible inhibitors into therapeutic drugs, though computer validations were employed in this study. This combination of computational techniques paves the way for targeted antibiotic development, which addresses the critical need for new therapeutic strategies against S. gallolyticus infections.
Study on the path of high-quality development of the construction industry and its applicability
Authors: Wang Dong , Cheng Xiaoduo
Published: June 2024

Exploring the influencing factors and enhancement paths of high-quality development of the construction industry is crucial for promoting sustainable development of the construction industry. Based on the concepts of “five development”, this paper takes the construction industry data of 29 provinces (autonomous regions and municipalities) in China as a sample, utilizes comprehensively the combination method of NCA and fsQCA to build a high-quality development driving model of the construction industry, and explores the coupling effect of factors, like the level of scientific and technological innovation, structural degree, precast building model, external market vitality, resources, and environment, on the development of the industry, revealing the path of high-quality development of the construction industry and analyze its applicability. These findings demonstrate that: (1) The level of scientific and technological innovation, the degree of structure, and the vitality of the external market are the core conditions, and a single factor does not constitute the necessary conditions for the high-quality development of the construction industry; (2) There are three paths for the high-quality development of the construction industry, among which the number of representative cases of linkage development led by openness innovation coordination is the largest, and has strong applicability; (3) There are two non-high-quality development paths in the construction industry, and there is a non-simple opposition relationship with the three high-quality development paths in the construction industry.
In vitro effect of visfatin on endocrine functions of the porcine corpus luteum
Authors: Mlyczyńska Ewa , Rytelewska Edyta , Zaobidna Ewa , Respekta-Długosz Natalia , Kopij Grzegorz , Dobrzyń Kamil , Kieżun Marta , Smolińska Nina , Kamiński Tadeusz , Rak Agnieszka
Published: June 2024

Previously, we demonstrated the expression of visfatin in porcine reproductive tissues and its effect on pituitary endocrinology. The objective of this study was to examine the visfatin effect on the secretion of steroid (P4, E2) and prostaglandin (PGE2, PGF2α), the mRNA and protein abundance of steroidogenic markers (STAR, CYP11A1, HSD3B, CYP19A1), prostaglandin receptors (PTGER2, PTGFR), insulin receptor (INSR), and activity of kinases (MAPK/ERK1/2, AKT, AMPK) in the porcine corpus luteum. We noted that the visfatin effect strongly depends on the phase of the estrous cycle: on days 2–3 and 14–16 it reduced P4, while on days 10–12 it stimulated P4. Visfatin increased secretion of E2 on days 2–3, PGE2 on days 2–3 and 10–12, reduced PGF2α release on days 14–16, as well as stimulated the expression of steroidogenic markers on days 10–12 of the estrous cycle. Moreover, visfatin elevated PTGER mRNA expression and decreased its protein level, while we noted the opposite changes for PTGFR. Additionally, visfatin activated ERK1/2, AKT, and AMPK, while reduced INSR phosphorylation. Interestingly, after inhibition of INSR and signalling pathways visfatin action was abolished. These findings suggest a regulatory role of visfatin in the porcine corpus luteum.
Differences between subjective and disability health expectancies across ages in older adults
Authors: Gbessemehlan Antoine , Cambois Emmanuelle , Brouard Nicolas , Letenneur Luc , Amieva Hélène , Pérès Karine
Published: June 2024

Health expectancies (HEs) have become a key indicator for monitoring healthy aging. So far, they have mainly been calculated based on functional rather than subjective health measures. Yet, by integrating several dimensions (medical, social, and cultural), subjective health is also an important measure of an older person’s health status. In this study, we first estimated HEs using self-rated health (SRH), by age and sex. Second, we compared these results to those obtained when using a disability measure. We used pooled data from three prospective population-based cohorts including adults aged 65 years and over, living in Southwestern France (N = 4468). SRH was assessed using a single question and disability was measured using the Lawton scale. Healthy/Unhealthy Life Expectancies (HLE/UHLE) and Disability/Disability-Free Life Expectancies (DLE/DFLE) were estimated using the Interpolated Markov Chain program (IMaCh), separately in men and women. Women lived longer than men, with similar HLE but longer UHLE at all ages. The proportion of HLE in total LE decreased with age for both sexes and for women, it became smaller than the proportion of UHLE from age 73 onward. In both sexes, while the DLE was shorter than the UHLE in the youngest, a reversal was observed with advancing age. This change occurred earlier in women. Our study supports that SRH and disability showed different aging patterns, with sex and age differences. From a public health perspective, SRH and disability indicators appeared not interchangeable as they uncovered complementary but different information on the needs of aging people.
Radiological and functional outcomes of Reverdin Isham osteotomy in moderate Hallux Valgus: a systematic review and meta-analysis
Authors: Sanchís-Soria Victoria , Nieto-González Elena , Nieto-García Eduardo , Fernández-Ehrling Nadia , Ferrer-Torregrosa Javier , Lorca-Gutiérrez Rubén
Published: June 2024

This systematic review and meta-analysis addresses the effects of minimally invasive surgical techniques, specifically the Reverdin Isham osteotomy, on functional and radiological outcomes in patients with moderate Hallux Valgus, a common foot deformity. The review included randomized and non-randomized controlled trials, as well as case reports, assessing the osteotomy in adults with moderate to severe Hallux Valgus. Searches were conducted in electronic databases such as MEDLINE and Web of Science up until July 2023, and the Joanna Briggs Institute’s critical appraisal tool was used to assess the risk of bias. Meta-analytical analyses employed a random-effects model with small-sample correction, presenting results as standardized mean differences and mean differences with 95% confidence intervals. Seven studies involving 554 patients and 643 operated feet were included, showing significant improvements in AOFAS scores (an average improvement of 36 points from 28.61 to 45.16) and reductions in radiological angles such as the distal metatarsal angle and hallux valgus angle post-surgery (IMA improved by − 3.07° from − 4.68 to − 1.46, DMAA by − 6.12° from − 9.52 to − 2.71, and HVangle by − 15.27° from − 17.98 to − 12.57). Despite these positive outcomes, most studies exhibited risks of bias and other methodological limitations, impacting the generalizability of the results. Overall, the findings highlight the efficacy of the Reverdin Isham osteotomy in improving both functional and radiological parameters in patients with moderate Hallux Valgus, although further research is warranted to solidify these results. No specific funding was received for this study, and the protocol was registered on PROSPERO with the number CRD-42023445886.
Synthesis of 3,4-dihydropyrimidines and octahydroquinazolinones by SBA-15 supported schiff-base iron (III) complex as durable and reusable catalyst under ultrasound irradiation
Authors: Balali Zeynab , Safaei-Ghomi Javad , Mashhadi Elahe
Published: June 2024

Biginelli-type heterocyclic compounds are particularly important due to their several chemical reactivities and various range of pharmacological activity. Therefore Biginelli reaction has witnessed several modification and numerous investigations are continuing in this field to develop more effective and efficient methodologies. In this research, Iron (III) schiff base immobilized SBA-15 has been prepared as a valuable, efficient, and recoverable catalyst for the Biginelli reaction. The morphology of the prepared catalyst was identified by spectroscopic characterization techniques and structural microscopic analysis including Fourier transform infrared (FT-IR) patterns, X-ray diffraction (XRD) by powder crystal method, Energy-dispersive X-ray spectroscopy (EDS) study, Thermogravimetric-Differential thermal analysis (TGA-DTA), Transmission electron microscopy (TEM) and Field emission scanning electron microscopy (FE-SEM) images. Biginelli compounds containing 3,4-dihydropyrimidines and octahydroquinazolinones were conveniently synthesized by this catalyzed protocol from the cycloaddition of aromatic aldehydes with the 1,3-dicarbonyl substrates and urea via ultrasonic waves. The several advantages of the presented approach are high yields and easy isolation of products, shorter reaction times, and milder conditions, structural stability and reusable catalyst. The combination of heterogeneous catalyst and ultrasonic radiation can make catalytic reactions more efficient than traditional ways attractive for academic researchers and application scholars in the industry.
Physical and thermomechanical characterization of unidirectional Helicteres isora fiber-reinforced polylactic acid bio-composites
Authors: Acharya Prashantha , Pai Dayananda , Padmaraj N. H. , Mahesha G. T.
Published: June 2024

Identifying novel cellulose fiber bio-composites has become a vital initiative in the exploration of sustainable materials due to increased global concern for the environment. This growing focus on eco-friendly materials has gathered significant attention in recent years. The current investigation deals with one such material, Helicteres isora reinforced Polylactic acid composites. Surface chemical treatment of fiber is one of the most effective methods to modify the hydrophilic fiber to increase its compatibility with the polymer matrix. Sodium hydroxide was used as a pre-treatment chemical to remove any impurities from the fiber surface. Pre-treated fibers were treated with Methacryl silane and Potassium permanganate solution to chemically modify the fiber surface. Density, void content and water absorption behavior of the composites were analyzed as per the standard procedure. Tensile and flexural tests were conducted to evaluate the mechanical strength, modulus, and flexibility of the unidirectional composites. Thermogravimetric and differential thermal analyses were performed to investigate the thermal stability, melting behavior and degradation profiles of prepared composites. A study of failure mechanisms and morphology of the fractured surface through photographs and SEM images revealed fiber splitting and delamination as the dominant reasons behind the failure of composites under tensile loading. Silane-treated Helicteres isora fiber-reinforced Polylactic acid composite exhibited lower water absorption and higher tensile strength than its counterparts. Untreated fiber composite showed maximum flexural strength among the tested composites. By collectively evaluating the results of the tests and properties of the composites, silane-treated fiber-reinforced Polylactic acid composites stands out as the most favorable choice.
Enhanced coalbed methane well production prediction framework utilizing the CNN-BL-MHA approach
Authors: Li Xianxian , Li Xijian , Xie Honggao , Feng Cong , Cai Junjie , He Yuhuan
Published: June 2024

As the mechanization of the CBM extraction process advances and geological conditions continuously evolve, the production data from CBM wells is deviating increasingly from linearity, thereby presenting a significant challenge in accurately predicting future gas production from these wells. When it comes to predicting the production of CBM, a single deep-learning model can face several drawbacks such as overfitting, gradient explosion, and gradient disappearance. These issues can ultimately result in insufficient prediction accuracy, making it important to carefully consider the limitations of any given model. It’s impressive to see how advanced technology can enhance the prediction accuracy of CBM. In this paper, the use of a CNN model to extract features from CBM well data and combine it with Bi-LSTM and a Multi-Head Attention mechanism to construct a production prediction model for CBM wells—the CNN-BL-MHA model—is fascinating. It is even more exciting that predictions of gas production for experimental wells can be conducted using production data from Wells W1 and W2 as the model’s database. We compared and analyzed the prediction results obtained from the CNN-BL-MHA model we constructed with those from single models like ARIMA, LSTM, MLP, and GRU. The results show that the CNN-BL-MHA model proposed in the study has shown promising results in improving the accuracy of gas production prediction for CBM wells. It’s also impressive that this model demonstrated super stability, which is essential for reliable predictions. Compared to the single deep learning model used in this study, its prediction accuracy can be improved up to 35%, and the prediction results match the actual yield data with lower error.
MOI is a comprehensive database collecting processed multi-omics data associated with viral infection
Authors: Guo Xuefei , Zhao Yang , You Fuping
Published: June 2024

Viral infections pose significant public health challenges, exemplified by the global impact of COVID-19 caused by SARS-CoV-2. Understanding the intricate molecular mechanisms governing virus-host interactions is pivotal for effective intervention strategies. Despite the burgeoning multi-omics data on viral infections, a centralized database elucidating host responses to viruses remains lacking. In response, we have developed a comprehensive database named ‘MOI’ (available at http://www.fynn-guo.cn/), specifically designed to aggregate processed Multi-Omics data related to viral Infections. This meticulously curated database serves as a valuable resource for conducting detailed investigations into virus-host interactions. Leveraging high-throughput sequencing data and metadata from PubMed and Gene Expression Omnibus (GEO), MOI comprises over 3200 viral-infected samples, encompassing human and murine infections. Standardized processing pipelines ensure data integrity, including bulk RNA sequencing (RNA-seq), single-cell RNA-seq (scRNA-seq), Chromatin Immunoprecipitation sequencing (ChIP-seq), and Assay for Transposase-Accessible Chromatin using sequencing (ATAC-seq). MOI offers user-friendly interfaces presenting comprehensive cell marker tables, gene expression data, and epigenetic landscape charts. Analytical tools for DNA sequence conversion, FPKM calculation, differential gene expression, and Gene Ontology (GO)/ Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment enhance data interpretation. Additionally, MOI provides 16 visualization plots for intuitive data exploration. In summary, MOI serves as a valuable repository for researchers investigating virus-host interactions. By centralizing and facilitating access to multi-omics data, MOI aims to advance our understanding of viral pathogenesis and expedite the development of therapeutic interventions.
Reconfigurable spintronic logic gate utilizing precessional magnetization switching
Authors: Liu Ting , Li Xiaoguang , An Hongyu , Chen Shi , Zhao Yuelei , Yang Sheng , Xu Xiaohong , Zhou Cangtao , Zhang Hua , Zhou Yan
Published: June 2024

In traditional von Neumann computing architecture, the efficiency of the system is often hindered by the data transmission bottleneck between the processor and memory. A prevalent approach to mitigate this limitation is the use of non-volatile memory for in-memory computing, with spin–orbit torque (SOT) magnetic random-access memory (MRAM) being a leading area of research. In this study, we numerically demonstrate that a precise combination of damping-like and field-like spin–orbit torques can facilitate precessional magnetization switching. This mechanism enables the binary memristivity of magnetic tunnel junctions (MTJs) through the modulation of the amplitude and width of input current pulses. Building on this foundation, we have developed a scheme for a reconfigurable spintronic logic gate capable of directly implementing Boolean functions such as AND, OR, and XOR. This work is anticipated to leverage the sub-nanosecond dynamics of SOT-MRAM cells, potentially catalyzing further experimental developments in spintronic devices for in-memory computing.
Sonogashira cross-coupling strategies towards nucleosides and analogues
Authors: Maria C. , Silva R. F. N. , Silva S. , Rollin P. , Rauter A. P.
Published: June 2024

Nucleosides have been extensively studied since the discovery of the structure and role of nucleic acids in biological processes. Several approaches have been developed to synthesize nucleosides and nucleoside analogues and, amongst them, the Sonogashira cross-coupling strategy has been a widely employed methodology. Hence, this review provides an overview of the synthesis of nucleosides and their analogues by the Sonogashira cross-coupling approach over the last three decades. Furthermore, the therapeutic relevance of the synthesized compounds will also be highlighted.
In vitro fermentation reveals an interplay relationship between oat β-glucan and human gut Bacteroides and their potential role in regulating gut cytokines
Authors: Bai Junying , Wang Jing , Fan Mingcong , Li Yan , Huang Linhua , Wang Li
Published: June 2024

Dietary oat β-glucan is metabolized human gut Bacteroides via glycoside hydrolases and further affects gut health.
Expanding the range of graphene energy transfer with multilayer graphene
Authors: Gronkiewicz Karolina , Richter Lars , Knechtel Fabian , Pyrcz Patryk , Leidinger Paul , Günther Sebastian , Ploetz Evelyn , Tinnefeld Philip , Kamińska Izabela
Published: June 2024

Each additional graphene layer leads to stronger fluorescence quenching, indicating enhanced GET efficiency and a potential extension of the dynamic working range of GET.
Kinetic investigation of photoiniferter-RAFT polymerization in continuous flow using inline NMR analysis
Authors: Bereś Magdalena A. , Zhang Bo , Junkers Tanja , Perrier Sébastien
Published: June 2024

Photo reversible deactivation radical polymerization and, in particular, photoiniferter-reversible addition–fragmentation chain transfer (PI-RAFT) polymerization have become popular approaches to polymer synthesis in recent years.
Designing the framework structure of noble-metal based nanoalloy catalysts driving redox electrocatalysis
Authors: Chen Guanzhen , Zhang Jie , Chen Wen , Lu Ruihu , Ma Chao , Wang Ziyun , Han Yunhu
Published: June 2024

We develop a robust and general strategy, for successful construction of a library of 21 nanoalloy materials with different entropies. Amazingly, the framing of nanoalloys can be achieved by controlling the feeding amount of non-noble metals.
Perspectives de l’élevage pastoral dans les oasis de montagne au Maroc : des défis complexes à relever
Authors: Hamzaoui Imane , Faysse Nicolas , Sraïri Mohamed Taher
Published: June 2024

L’élevage pastoral traditionnel des oasis de montagne du Haut Atlas central est confronté à de fortes contraintes menaçant sa durabilité. Le présent article se propose d’identifier ces contraintes, d’explorer les stratégies d’adaptation des pasteurs pour y remédier et de formuler des recommandations pratiques pour renforcer sa durabilité dans ce contexte spécifique et dans des situations similaires. Pour ce faire, 128 entretiens semi-structurés individuels ont été conduits selon l’approche inductive avec des transhumants de différents profils et des jeunes (femmes et hommes) appartenant aux familles des tribus Aït Atta, Aït Merghad et Aït Hdidou. Les résultats révèlent plusieurs contraintes structurelles majeures comme les problèmes de relève, l’exode des jeunes, la récurrence des sécheresses, la faiblesse des revenus alternatifs pour soutenir l’élevage pastoral, le blocage des axes de transhumance et la réduction de l’espace pastoral suite à l’extension des cultures, ce qui induit la fragilité des cinq capitaux du cadre Sustainable Rural Livelihoods (SRL). L’étude met en relief les stratégies des pasteurs face à ces contraintes (recours à la main-d’œuvre salariée et transhumance en camions) et montre leur faiblesse face au peu d’attractivité de l’élevage pastoral pour la main-d’œuvre et à l’augmentation des coûts pour l’élevage. Cette situation entraîne une tendance marquée à la sédentarisation et au pessimisme chez les différentes générations quant à l’avenir de cette activité. En conséquence, les innovations devraient se concentrer sur l’amélioration des conditions de la transhumance, la réglementation de la mise en valeur agricole des terres de parcours et le développement de stratégies proactives de gestion des sécheresses ainsi que sur des ajustements législatifs, la reconnaissance institutionnelle des services éco-systémiques du pastoralisme et la patrimonialisation de la transhumance.
Jet modifications and medium response - Theoretical overview
Authors: Pablos Daniel
Published: June 2024

A personal view on the current status of the theoretical description of jet quenching physics in heavy-ion collisions is presented.
Future facilities and instrumentation
Authors: Musa Luciano
Published: June 2024

Explorations in nuclear physics over the past forty years have significantly advanced our understanding of matter under extreme conditions. Studies at various energy scales, from the AGS to the LHC, have not only confirmed the existence of QGP but also initiated its detailed and meticulous characterization. Progress in detector technology has been pivotal, from streamer chambers to TPCs and cutting-edge silicon detectors, which have enabled precise tracking and particle identification. Despite these advancements, many questions about the QGP properties and the QCD phase diagram remain unanswered. Making progress in these areas provides motivation for continued research utilizing both existing and upcoming accelerator facilities and experimental setups. This paper provides a succinct summary of the present state of accelerator and detector facilities, the progress of ongoing projects, and a perspective on future facilities and detector projects in this domain.
Conference summary - The quest continues: Details, details, details
Authors: Caines Helen
Published: June 2024

At this Quark Matter conference, once again, a wealth of the data and ideas have been presented via 262 oral presentations and over 300 posters. It is impossible to summarize such a deluge of results, instead I try to highlight those results that settled a long standing questions, unexpectedly raised new ones, or triggered the most discussions in the corridors.
Hypertriton production in Au+Au collisions from STAR BES-II
Authors: Ji Yuanjing
Published: June 2024

Hypernuclei are bound states of nuclei with one or more hyperons. Precise measurements of hypernuclei properties and their production yields in heavy-ion collisions are crucial for the understanding of their production mechanisms. The second phase of the Beam Energy Scan at RHIC (BES-II) offers us a great opportunity to investigate collision energy and system size dependence of hypernuclei production. In these proceedings, we present new measurements on transverse momentum (pT), rapidity (y), and centrality dependence of Λ3H production yields in Au+Au collisions from √SNN = 3 to 27 GeV. These results are compared with phenomenological model calculations, and physics implications on the hypernuclei production mechanism are also discussed.
Bayesian analysis of nontrivial features in the speed of sound inside neutron stars in light of astrophysical and pQCD constraints
Authors: Mroczek Debora
Published: June 2024

Functional forms of the neutron star Equation of State (EoS) are required to extract the viable EoS band from neutron star observations. Realistic nuclear EoS, containing deconfined quarks or hyperons, present nontrivial features in the speed of sound such as bumps, kinks, and plateaus. Using modified Gaussian processes to model EoS with nontrivial features, we show in a fully Bayesian analysis incorporating measurements from X-ray sources, gravitational wave observations, and perturbative QCD results that these features are compatible with current constraints. We find that nontrivial behavior in the EoS plays a role in understanding the possible phase structure of neutron stars at densities around 2 nsat.
Transverse momentum fluctuation in ultra-central Pb+Pb collision at the LHC
Authors: Samanta Rupam , Bhatta Somadutta , Jia Jiangyong , Luzum Matthew , Ollitrault Jean-Yves
Published: June 2024

The ATLAS collaboration has recently observed that the variance of the transverse momentum per particle ([pt]), when measured as a function of the collision multiplicity (Nch) in Pb+Pb collisions, decreases by a factor 2 for the largest values of Nch, corresponding to ultra-central collisions. We show that this phenomenon is naturally explained by invoking impact parameter (b) fluctuations, which contribute to the variance, and gradually disappear in ultracentral collisions. It implies that Nch and [pt] are strongly correlated at fixed b, which is explained by the local thermalization of the QGP medium.
Constraints on initial baryon stopping and equation of state from directed flow
Authors: Du Lipei , Shen Chun , Jeon Sangyong , Gale Charles
Published: June 2024

Our investigation focuses on the rapidity-dependent directed flow, v1(y), of identified hadrons in Au+Au collisions across a broad range of √SNN from 7.7 to 200 GeV. Employing a (3+1)-dimensional hybrid framework, our study successfully reproduces the characteristic features of the measured v1(y) for both mesons and baryons across the considered beam energies. Notably, our analysis reveals the constraining power of baryonic v1(y) on the initial baryon stopping mechanism. Together with mesonic v1(y), the directed flow serves as a crucial tool for probing the equation of state governing dense nuclear matter at finite chemical potentials.