jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Muhammed Ozigi Otokiti | Babatunde Adebayo
Source: International Journal of Engineering and Advanced Technology Studies (article, 2024-01-15)
Field: Materials Science — Materials Chemistry

Evaluation of Rock and Explosive Properties for Fragmentation Characterization: An Application of WipFrag This study investigates the rock explosive properties in selected Lokoja quarries, Nigeria, with the goal of characterizing fragmentation for optimized downstream operations. The analysis includes porosity, UCS values, and permeability assessment in Gitto quarry, highlighting advantages in material application. Comparisons between rock formations (Q1 and Q2) reveal varying compressive strengths, crucial for determining appropriate explosive energy for efficient fragmentation. Blast design parameters from Q1 and Q2 indicate consistent values, aiding in operational planning. Fragmentation analysis, conducted using WipFrag software, delineates size ranges and classifies the blast as having a moderate distribution. Correlations between blast fragmentation size and powder factor underscore the impact on efficiency. A classification chart and table are presented for convenient interpretation of results, providing valuable insights for enhancing blasting practices in Lokoja quarries and ultimately improving productivity. The fragmentation analysis result carried out in this study using WipFrag software shows that the 50%, 80% and Maximum block size passing size ranges from 539.94 – 1349.53 mm, 690.07 – 1907.81 mm, 808-2280 mm respectively. The blast fragmentation sizes are classified as moderate distribution blast based on the uniformity index value ranging from 1.95 to 2.4. The relationship between blast fragmentation size and powder factor was evaluated using linear correlation coefficient. It was noted that, X20, X50, X80 has high R2 values greater than 60% respectively Explosive material ; Fragmentation (computing) ; Characterization (materials science) ; Geology ; Forensic engineering ; Materials science ; Mineralogy ; Archaeology ; Computer science ; Nanotechnology ; Engineering ; History ; Operating system High-Velocity Impact and Material Behavior ; Rock Mechanics and Modeling ; Earthquake Detection and Analysis
Authors: Fabiha Zaheen Khan | Kelli L. Palmer | Ziqiang Guan
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-10-11)
Field: Chemistry — Organic Chemistry

Biosynthesis of glucosaminyl phosphatidylglycerol in <i>Pseudomonas aeruginosa</i> Glucosaminyl phosphatidylglycerol (GlcN-PG) was first identified in bacteria in the 1960s and was recently reported in <i>Pseudomonas aeruginosa</i>. Despite the important implications in altering membrane charge (by the modification of anionic PG with cationic glucosamine), the biosynthesis and functions of GlcN-PG have remained uncharacterized. Using bioinformatic and lipidomic analysis, we identified a 3-gene operon, renamed as <i>gpgSDF</i>, that is responsible for the biosynthesis and potential transport of GlcN-PG in <i>P. aeruginosa</i>: <i>gpgS</i> encodes a novel glycotransferase that is responsible for the modification of phosphatidylglycerol (PG) with <i>N</i>-acetylglucosamine (GlcNAc) to produce GlcNAc-PG, and <i>gpgD</i> encodes a novel deacetylase that removes the acetyl group from GlcNAc-PG to produce GlcN-PG. The third gene in the operon, <i>gpgF</i>, is predicated to encode a flippase whose activity remains to be experimentally verified. As expected, the heterologous expression of the <i>gpgSDF</i> operon in <i>Escherichia coli</i> resulted in production of both GlcNAc-PG and GlcN-PG. The identification of the biosynthetic genes of GlcN-PG paves the way for the investigation of its biological and pathological functions, which has significant implications in our understanding of the unique membrane physiology, pathogenesis and antimicrobial resistance of <i>P. aeruginosa</i>. Phosphatidylglycerol ; Pseudomonas aeruginosa ; Microbiology ; Pseudomonas ; Chemistry ; Biosynthesis ; Biology ; Bacteria ; Biochemistry ; Genetics ; Enzyme Carbohydrate Chemistry and Synthesis ; Bacterial Genetics and Biotechnology ; Glycosylation and Glycoproteins Research
Authors: Johan Ariff Mohtar | Mohd Faidz Mohamad Shahimin | Amirul Ridzuan Abu Bakar | Khadijah Hanim Abdul Rahman
Source: Research Square (preprint, 2024-02-20)
Field: Materials Science — Biomaterials

In silico structural modeling of the N-terminal domain of ampullate spidroin from the cellar spider, Crossopriza lyoni Abstract Spider dragline silk, or major ampullate silk, is a remarkably high-performing polymeric biomaterial with outstanding physical and mechanical properties due to its silk proteins, called spidroins. In particular, the N-terminus of spidroins plays a crucial role in silk fibre formation. Extensive research on the 3D N-terminal structure of major ampullate spidroins (MaSps) in orbicularian spiders has led to the neglect of major ampullate silks from non-orbicularians, despite their unique silk protein sequence, with a predominant focus on the adult stage rather than the early developmental stage. In this study, we elucidated the N-terminal ampullate spidroin (NT-AmSp) structure from the prenymph of the non-orbicularian species, Crossopriza lyoni . The NT-AmSp sequence of 155 amino acids was subjected to protein homology modeling, threading, and ab initio modeling through multiserver-based in silico predictions using SWISS-MODEL, Phyre2, and I-TASSER, respectively. The quality of each generated model was analysed using ProSA-web, QMEAN, and SAVES (parameters i.e., ERRAT, Verify3D, and Ramachandran plot) servers. Finally, the models were superimposed with an NMR-determined NT-MaSp from E. australis for similarity assessment using SuperPose. Models ranked first by both SWISS-MODEL and Phyre2 (Model 1) and Model 3 from I-TASSER with the highest C-score were chosen as the best predicted models. All models possessed five α-helices except for Model 3 with an additional α-helical conformation representing the signal peptide region. Overall, the models were of relatively good quality according to the analysis. The structure superimposition with E. australis NT-MaSp1 (4FBS) yielded an acceptable RMSD value between 2.0 Å and 3.0 Å. In silico structural modeling proves to be a powerful tool for assessing protein molecular functions. Significance : The elucidation of the N-terminal structure of AmSp from C. lyoni prenymph may contribute to enhancing our understanding of the structural and functional diversity in the N-terminal domain of spidroins across spider taxa between the adult and early nymphal stage and can be used in the development as soluble tag for heterologous protein expression. Spider ; In silico ; Domain (mathematical analysis) ; Computer science ; Biology ; Zoology ; Mathematics ; Biochemistry Silk-based biomaterials and applications ; Biochemical and Structural Characterization ; Antimicrobial Peptides and Activities
Authors: Viet-Hung Phan | Hai‐Bang Ly
Source: Journal of Science and Transport Technology (article, 2024-03-30)
Field: Materials Science — Materials Chemistry

RIME-RF-RIME: A novel machine learning approach with SHAP analysis for predicting macroscopic permeability of porous media Predicting the macroscopic permeability of porous media is critical in various scientific and engineering applications. This study proposes a novel model that combines Random Forest (RF) and rime-ice (RIME) optimization algorithm, denoted RIME-RF-RIME, to predict permeability based on six key features covering fluid phase dimensions, geometric characteristics, surrounding phase permeability, and media porosity. After the input space simplification process using RIME, the RF model achieves high predictive accuracy with a coefficient of determination (R2) of 0.980. Furthermore, SHapley Additive exPlanations (SHAP) values are employed to decipher these features' importance and interaction effects on the model's predictions. The analysis reveals that porosity, permeability of the porous phase, and the size of the fluid phase perpendicular to the flow direction exert the most significant individual influences. This study not only unveils crucial insights into the underlying mechanisms governing permeability in porous media but also contributes to developing interpretable and reliable predictive models for related applications. Hard rime ; Porous medium ; Porosity ; Permeability (electromagnetism) ; Materials science ; Chemistry ; Meteorology ; Physics ; Composite material High voltage insulation and dielectric phenomena
Authors: Maria Karageorgiadou | Maria Rodovitou | Elpida Nasiopoulou | Vaia Styliani Titeli | Michail Michailidis
Source: Horticulturae (article, 2024-04-24)
Field: Chemistry — Analytical Chemistry

Sweet Cherry Fruit Firmness Evaluation Using Compression Distance Methods Flesh firmness in sweet cherries is determined using the measurement of normalized deformation force, i.e., determining the required force for a distance equal to 5 or 10% of the diameter of the cherries per millimeter. However, a firmness method involving a defined distance is quite simple and suitable for easy applications. Hence, our study focuses on the impact of fruit physiology under various and fixed distances. To assess the firmness evaluation, two sweet cherry cultivars (Canada Giant and Regina) were selected and subjected to three different levels of compression distance equal to 1%, 5%, 10% of the fruit’s small thickness dimension along with a consistent compression distance of 0.16 mm. There was a strong correlation between panelists’ preferences and the fruit that had been subjected to both a 1% deformation force and a fixed distance of 0.16 mm within each cultivar. Physiological traits, membrane integrity, and the metabolome of the fruit in these categories were mostly unaffected by the control (0%), or 1%, deformation force, as shown by clustering and PCA analysis. The control and 1% deformation force groups showed similar patterns, contrary to those of the 5% and 10% deformation force groups. Given these considerations, a fixed distance of 0.16 mm and a minimal 1% deformation force possess the potential to be employed and implemented for monitoring the firmness of sweet cherries during postharvest preservation. Horticulture ; Compression (physics) ; Mathematics ; Fruit set ; Biology ; Botany ; Materials science ; Pollination Spectroscopy and Chemometric Analyses ; Postharvest Quality and Shelf Life Management ; Meat and Animal Product Quality
Authors: Maxim E. Astashev | Dmitriy E. Burmistrov | Denis V. Yanykin | Andrey Grishin | Inna Knyazeva | Alexey S. Dorokhov | Sergey V. Gudkov
Source: Mathematical and Computational Applications (article, 2024-10-11)
Field: Chemistry — Analytical Chemistry

Application of Bispectral Analysis to Assess the Effect of Drought on the Photosynthetic Activity of Lettuce Plants Lactuca sativa L. This article proposes a new method for determining the pathological state of a plant, based on a combination of the method for measuring the dynamics of photosystem II pigment fluorescence in the leaves of L. sativa plants and analyzing the resulting time series using bispectral analysis based on the wavelet transform. The article theoretically shows a possible mechanism for the appearance of a peak on the map of bispectrum indexes during nonlinear analog conversion of a physiological signal in a biological object. The phenomenon of increasing the degree of nonlinearity in the transmission of an external periodic signal in plant signaling systems has been experimentally demonstrated. Lactuca ; Photosynthesis ; Botany ; Biology ; Horticulture Spectroscopy and Chemometric Analyses ; GABA and Rice Research ; Advanced Chemical Sensor Technologies
Authors: Minha Lee | Wan Gi Byun | Sumin Son | Seung Bum Park
Source: Chemical Communications (article, 2024-01-01)
Field: Materials Science — Biomaterials

Development of a molecular glue-based Lin28 degrader to regulate cellular proliferation and stemness Let-7 microRNAs (miRNAs) regulate cellular processes including stemness and proliferation. Lin28, an RNA-binding protein, controls let-7 miRNA biogenesis and is a key factor in maintaining stem cell properties. We developed SB1349, a novel molecular glue-based degrader targeting Lin28. SB1349 induces Lin28 degradation through a proteasome-dependent pathway, enhances let-7 miRNA levels, and downregulates oncogenes c-Myc and IMP1. SB1349 also promotes the differentiation in neuroblastoma cells, highlighting its potential as a therapeutic agent for various diseases. LIN28 ; GLUE ; Stem cell ; Cell biology ; Chemistry ; Cell growth ; Biology ; Materials science ; Biochemistry ; Transcription factor ; SOX2 ; Gene Silk-based biomaterials and applications ; Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine
Authors: Bilge Berkhan Kastaci | Hikmet Ziya Özek | Erkan Özhan
Source: Tekstil ve Mühendis (article, 2024-03-27)
Field: Materials Science — Polymers and Plastics

A COMPARISON OF THE THREE TECHNIQUES IN PREDICTING BREAKING STRENGTH OF COTTON AND BLENDED WOVEN FABRICS With the development of technology, artificial intelligence applications in the textile industry are increasing. The uses of these methods present very good results in cases where statistical methods are lacking in the accurate evaluation and analysis of the past data of the enterprises and the estimation of their future situations. In this study, some models are developed, based on this relationship, to estimate the breaking strength of cotton woven fabrics and polyester/viscose blended woven fabrics separately. Breaking strength is considered one of the most important performance characteristics of woven fabrics. It is mostly determined by the structural elements of the fabric. Multiple linear regression, artificial neural networks and random forest algorithms are employed to perform statistical and stochastic analyses on these elements by using industrial data. A total of 147 fabric data sets in warp and weft directions were used for training and test data in cotton fabrics, and 53 fabric data sets in warp and weft directions in blended fabrics. Appropriate models are generated by using Minitab Statistics and Matlab software. Yarn linear densities, yarn production methods, twist amounts, fabric densities, crimp ratios, unit area weights, various weave factors and fabric structure factors were selected as variables of the models estimating the breaking strength of fabrics in both warp and weft directions. These factors were included in the models separately, and the subset that gave the best results was selected and the models were revised. For the three models created, it was seen that the regression models and models based on artificial neural networks performed well in both cotton fabrics and blended fabrics, while random forest algorithms were not very accurate in estimating the breaking strength. Yarn ; Breaking strength ; Weaving ; Textile ; Crimp ; Artificial neural network ; Linear density ; Fabric structure ; Viscose ; Linear regression ; Woven fabric ; Test data ; Carding ; Structural engineering ; Regression analysis ; Engineering ; Computer science ; Artificial intelligence ; Composite material ; Machine learning ; Materials science ; Mechanical engineering Textile materials and evaluations ; Industrial Vision Systems and Defect Detection ; Mechanical Behavior of Composites
Authors: Yanan Ma | Xiqi Hu | Kenji Karako | Peipei Song | Wei Tang | Ying Xia
Source: Drug Discoveries & Therapeutics (article, 2024-12-20)
Field: Chemistry — Organic Chemistry

Agarwood as a potential therapeutic for Alzheimer's disease: Mechanistic insights and target identification Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cognitive decline, memory loss, and functional impairments. Despite extensive research, its pathogenesis remains incompletely understood, and effective treatments are limited. This study explored the therapeutic potential of agarwood in AD by integrating network pharmacology, protein-protein interaction (PPI) network analysis, and single-cell expression analysis. The results revealed that agarwood compounds may modulate key inflammatory genes such as NFKB1, STAT1, and TLR4, alleviating neuroinflammation; enhance the expression of HSP90 and regulate KDR signaling to improve blood-brain barrier (BBB) integrity; and promote the activity of PTPN11 and CXCR4 to support oligodendrocyte precursor cell (OPC) repair and remyelination. Single-cell expression analysis highlighted cell-type-specific expression patterns, particularly in OPCs and endothelial cells, underscoring their relevance in AD pathology. Agarwood's multi-dimensional therapeutic potential positions it as a promising candidate for the development of novel AD treatments. Neuroinflammation ; Remyelination ; Agarwood ; Neuroscience ; Biology ; Signal transduction ; Medicine ; Inflammation ; Cell biology ; Immunology ; Pathology ; Central nervous system Wood and Agarwood Research ; Medicinal Plants and Neuroprotection ; Microbial Metabolism and Applications
Authors: Ananthakumar Ayyadurai | Saravanan Muthuchamy Maruthai | D Muthu
Source: Journal of the Croatian Association of Civil Engineers (article, 2024-05-01)
Field: Materials Science — Polymers and Plastics

Impact of fly ash and banana fiber on mechanical performance of paver block concrete The use of concrete reinforced with natural fibres is globally considered a sustainable approach to infrastructure development. This study investigated the salient features of concrete paver blocks fabricated using fly ash, coal ash, superplasticiser, and banana fibres as fibre reinforcements. Banana fibres (15 mm in length) were prepared, followed by the fabrication and characterisation of concrete paver blocks. In the current study, banana fibre (0.5 %, 1 %, 1.5 %, 2 %, and 2.5 %) and admixture (0.5 % constantly) were used in different mix proportions in the fabrication of paver block to analyse the physicomechanical properties. The results demonstrated that the paver blocks containing 2 % modified banana fiber (with respect to weight of fly ash) show higher compressive strength (7.45 % for I-dumble and 17.12 % for zigzag paver blocks), flexural strength (14.99 % for I-dumble and 8.67 % for zigzag) and split tensile strength (12.182 % for I-dumble and 9.971 % for zigzag paver blocks), compared to other mix proportions. The use of modified banana fibres as reinforcement was found to be very effective in improving the mechanical properties and life span of paver blocks, which may lead to minimizing the preparation. Fly ash ; Block (permutation group theory) ; Fiber ; Materials science ; Composite material ; Structural engineering ; Engineering ; Mathematics Natural Fiber Reinforced Composites ; Innovative concrete reinforcement materials
Authors: Evan John Ricketts | Peter John Cleall | Tony Jefferson | Pierre Kerfriden | Paul Lyons
Source: European Journal of Computational Mechanics (article, 2024-07-15)
Field: Materials Science — General Materials Science

Influence of Spatially Varying Boundary Conditions Based on Material Heterogeneity When conducting numerical analyses, boundary conditions are generally applied homogeneously, neglecting the inherent heterogeneity of the material being represented. Whilst the heterogeneity is often considered within the medium, its influence on the response at the boundary should also be accounted for. In this study, A novel approach to applying heterogeneous boundary conditions in the simulation of physical systems is presented, particularly focusing on moisture transport in unsaturated soils. The proposed method divides the surface into blocks or “macro-elements” and scales the boundary conditions based on the variation of material properties within these blocks. The principle of using overlapping kernel functions allows local effects to be considered, impacting neighbouring regions. To demonstrate the efficacy of the approach, a set of analyses were conducted that considered infiltration into a body of unsaturated soil, with various configurations of material properties and boundary conditions. The numerical simulations indicate that the application of scaled boundary conditions leads to a more natural and realistic response in the system. The applied method is independent on the numerical techniques employed in the simulation process, making it adaptable to existing computational codes, offering flexibility in capturing complex behaviours, and providing insights into how heterogeneity influences the system’s overall response. Boundary (topology) ; Biological system ; Mathematics ; Mathematical analysis ; Biology Material Properties and Applications
Authors: Jon Zubeltzu | Fernando Bresme | Matthew Dawber | Mariví Fernández-Serra | Emilio Artacho
Source: arXiv (Cornell University) (preprint, 2024-12-02)
Field: Chemistry — Physical and Theoretical Chemistry

Redefining the dielectric response of nanoconfined liquids: insights from water Recent experiments show that the relative dielectric constant $ε$ of water confined to a film of nanometric thickness reaches a strikingly low value of 2.1, barely above the bulk's 1.8 value for the purely electronic response. We argue that $ε$ is not a well-defined measure for dielectric properties at sub-nanometer scales due to the ambiguous definition of confinement width. Instead we propose the 2D polarizability $α_{\perp}$ as the appropriate, well-defined response function whose magnitude can be directly obtained from both measurements and computations. Once the appropriate description is used, understanding the interplay between electronic and ionic contributions becomes critical, contrary to what is widely assumed. This highlights the importance of electronic degrees of freedom in interpreting the dielectric response of polar fluids under nanoconfinement conditions, as revealed by molecular dynamics simulations. Dielectric ; Dielectric response ; Materials science ; Chemical physics ; Optoelectronics ; Chemistry Electrostatics and Colloid Interactions ; Electrochemical Analysis and Applications
Authors: Miriam Hernández-Jiménez | İsabel Revilla | Ana María Vivar Quintana | Justyna Grabska | Krzysztof B. Beć | Christian W. Huck
Source: Applied Sciences (article, 2024-11-19)
Field: Chemistry — Analytical Chemistry

Comparison of Miniaturized and Benchtop NIR Spectrophotometers for Quantifying the Fatty Acid Profile of Iberian Ham Iberian ham is a highly valued product, and considerable efforts have been made to characterize it quickly and accurately. In this scenario, portable NIR devices could provide an effective solution for the assessment of its attributes. However, the calibration quality of NIR equipment is directly influenced by the relevance of the used spectral region. Therefore, this study aims to evaluate the suitability of different NIR spectrometers, including four portable and one benchtop instrument, with varying spectral working ranges for quantifying the fatty acid composition of Iberian ham. Spectral measurements were carried out on both the muscle and the fat of the ham slices. The results showed that 24 equations with an RSQ &gt; 0.5 were obtained for both the muscle and fat for the NIRFlex N-500 benchtop instrument, while 19 and 14 equations were obtained in the muscle and 16 and 10 equations in the fat for the Enterprise Sensor and MicroNIR, respectively. In general, more fatty acids could be calibrated when the spectra were taken from lean meat, except with the SCiO Sensor. Measurements performed in the lean and fat zones delivered complementary information. These initial findings indicate the suitability of using miniaturized NIR sensors, which are faster, are less expensive, and enable on-site measurements, for analyzing fatty acids in Iberian ham. Chromatography ; Chemistry Spectroscopy and Chemometric Analyses ; Meat and Animal Product Quality ; Spectroscopy Techniques in Biomedical and Chemical Research