jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xin Zhou | Min Jiao | Mengying Che | Yating Yang | Yi Yang | Junfei Zhang | Lei Zhang | Xiaosha Zheng | Yan Chen | Ling Yuan | Yi Nan
Source: Aging (article, 2023-01-03)
Field: Materials Science — Biomaterials

Investigation on the mechanism of Shaoyao-Gancao Decoction in the treatment of gastric carcinoma based on network pharmacology and experimental verification Network pharmacology has shown that SG-D can act on multiple targets through multiple ingredients and treat GC by regulating multiple signaling pathways. <i>In vitro</i> cell experiments have also confirmed this, so as to provide a reference for subsequent related research. Decoction ; KEGG ; PI3K/AKT/mTOR pathway ; MAPK/ERK pathway ; Protein kinase B ; Apoptosis ; Cell cycle ; Cell growth ; Signal transduction ; Pharmacology ; Mechanism of action ; Cell ; Chemistry ; In vitro ; Biology ; Traditional medicine ; Medicine ; Biochemistry ; Gene expression ; Gene ; Gene ontology Phytochemistry and Bioactive Compounds ; Computational Drug Discovery Methods ; Pharmacological Effects of Natural Compounds
Authors: Yutao Kuang | Junshan Lai | Jolene P. Reid
Source: Chemical Science (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Transferrable selectivity profiles enable prediction in synergistic catalyst space Organometallic intermediates participate in many multi-catalytic enantioselective transformations directed by a chiral catalyst, but the requirement of optimizing two catalyst components is a significant barrier to widely adopting this approach for chiral molecule synthesis. Algorithms can potentially accelerate the screening process by developing quantitative structure-function relationships from large experimental datasets. However, the chemical data available in this catalyst space is limited. Herein, we report a data-driven strategy that effectively translates selectivity relationships trained on enantioselectivity outcomes derived from one catalyst reaction systems where an abundance of data exists, to synergistic catalyst space. We describe three case studies involving different modes of catalysis (Brønsted acid, chiral anion, and secondary amine) that substantiate the prospect of this approach to predict and elucidate selectivity in reactions where more than one catalyst is involved. Ultimately, the success in applying our approach to diverse areas of asymmetric catalysis implies that this general workflow should find broad use in the study and development of new enantioselective, multi-catalytic processes. Catalysis ; Enantioselective synthesis ; Selectivity ; Chemical space ; Combinatorial chemistry ; Workflow ; Space (punctuation) ; Chemistry ; Computer science ; Biochemical engineering ; Computational chemistry ; Organic chemistry ; Drug discovery ; Database ; Engineering Asymmetric Hydrogenation and Catalysis ; Asymmetric Synthesis and Catalysis ; Machine Learning in Materials Science
Authors: Michael A. Kurtz | Ruoyu Yang | Mohan Surya Raja Elapolu | Audrey C. Wessinger | William F. Nelson | Kazzandra Alaniz | Rahul Rai | Jeremy L. Gilbert
Source: Orthopedic Clinics of North America (review, 2023-01-31)
Field: Materials Science — Metals and Alloys

Predicting Corrosion Damage in the Human Body Using Artificial Intelligence Corrosion ; Medicine ; Fretting ; Crevice corrosion ; Artificial intelligence ; Pitting corrosion ; Metallurgy ; Computer science Hydrogen embrittlement and corrosion behaviors in metals ; Orthopaedic implants and arthroplasty ; Non-Destructive Testing Techniques
Authors: Ejigayehu Chakiso Gebremariam | Yohanes Chekol Malede | Venkatesa Prabhu Sundramurthy | Venkatramanan Varadharajan | S. Manivannan | Mani Jayakumar | G. Baskar
Source: Bioresource Technology Reports (article, 2023-03-21)
Field: Materials Science — Biomaterials

Development of bio-based adhesive using tannery shaving dust: Process optimization using statistical and artificial intelligence techniques Adhesive ; Polyvinyl alcohol ; Materials science ; Fourier transform infrared spectroscopy ; Pulp and paper industry ; Process (computing) ; Process engineering ; Chemical engineering ; Composite material ; Computer science Collagen: Extraction and Characterization ; Additive Manufacturing and 3D Printing Technologies ; Bone Tissue Engineering Materials
Authors: Kai‐Uwe Hess | Jürgen E. K. Schawe | Martin C. Wilding | Bettina Purgstaller | Katja E. Goetschl | Sebastian Sturm | Knut Müller‐Caspary | Elena V. Sturm | Wolfgang W. Schmahl | Erika Griesshaber | Thilo Bissbort | Daniel Weidendorfer | Martin Dietzel | Donald B. Dingwell
Source: Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences (article, 2023-08-27)
Field: Materials Science — Materials Chemistry

Glass transition temperatures and crystallization kinetics of a synthetic, anhydrous, amorphous calcium-magnesium carbonate We report the first calorimetric observations of glass transition temperatures and crystallization rates of anhydrous, amorphous calcium-magnesium carbonate using fast scanning differential scanning calorimetry. Hydrous amorphous Ca<sub>0.95</sub>Mg<sub>0.05</sub>CO<sub>3</sub> · 0.5H<sub>2</sub>O (ACMC) solid was precipitated from a MgCl<sub>2</sub>-NaHCO<sub>3</sub> buffered solution, separated from the supernatant, and freeze-dried. An aliquot of the freeze-dried samples was additionally dried at 250°C for up to 6 h in a furnace and in a high-purity N<sub>2</sub> atmosphere to produce anhydrous ACMC. The glass transition temperature of the anhydrous Ca<sub>0.95</sub>Mg<sub>0.05</sub>CO<sub>3</sub> was determined by applying different heating rates (1000-6000 K s<sup>-1</sup>) and correcting for thermal lag to be 376°C and the relaxational heat capacity was determined to be <i>C</i>p = 0.16 J/(g K). Additionally, the heating rate dependence of the temperature that is associated with the corrected crystallization peaks is used to determine the activation energy of crystallization to be 275 kJ mol<sup>-1</sup>. A high-resolution transmission electron microscopy study on the hydrous and anhydrous samples provided further constraints on their compositional and structural states. This article is part of the theme issue 'Exploring the length scales, timescales and chemistry of challenging materials (Part 1)'. Anhydrous ; Crystallization ; Differential scanning calorimetry ; Amorphous solid ; Magnesium ; Glass transition ; Activation energy ; Materials science ; Calorimetry ; Analytical Chemistry (journal) ; Mineralogy ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Crystallography ; Thermodynamics ; Physical chemistry ; Metallurgy ; Polymer ; Chromatography ; Organic chemistry Thermal and Kinetic Analysis ; Material Dynamics and Properties ; Glass properties and applications
Authors: Wenyan Gu | Jiang Shi | Tianwen Pang | Qilong Sun | Qi Jia | Jiajia Hu | Jiaqiao Zhang
Source: Materials (article, 2023-11-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Mechanical and Electromagnetic Wave Absorption Performance of Carbonyl Iron Powder-Modified Nonwoven Materials In order to develop carbonyl iron-enhanced electromagnetic wave-absorbing composites, this paper utilizes two different morphologies of carbonyl iron powder (CIP), spherical and flake-like, which are blended with aqueous polyurethane (PU) in three different ratios to prepare impregnating solutions. Polyester (PET) needle-punched nonwoven materials are impregnated with these solutions to produce electromagnetic wave-absorbing composites. First, electromagnetic parameters of the two CIP particle types, spherical carbonyl iron (SCIP) and flake-like carbonyl iron (FCIP), are tested with the coaxial method, followed by calculation of the results of their electromagnetic wave absorption performance. Next, the composites are subjected to microscopic morphology observation, tensile testing, and arched frame method electromagnetic wave absorption performance testing. The results indicate that the microwave absorption performance of FCIP is significantly better than that of SCIP. The minimum reflection loss value for F3, a kind of FCIP-modified nonwoven fabric, at the thickness of 1 mm, at 18 GHz is -17 dB. This value is even better than the calculated RL value of CIP at the thickness of 1 mm. The anisotropic shape of flake-like magnetic materials is further strengthened when adhering to the surface of PET fiber material. Additionally, the modified composites with carbonyl iron exhibit higher tensile strength compared with pure PET. The addition of fibrous skeletal materials is expected to enhance the impedance matching of flake-like magnetic particles, forming a wearable and microwave-absorbing composite. Carbonyl iron ; Materials science ; Composite material ; Reflection loss ; Ultimate tensile strength ; Absorption (acoustics) ; Polyester ; Microwave ; Composite number ; Electromagnetic radiation ; Flake ; Optics Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Natural Fiber Reinforced Composites
Authors: Giuseppina Nocca | Alessandro Arcovito | Nermeen A. Elkasabgy | Mona Basha | Noah Giacon | Elena Mazzinelli | Mohammed S. Abdel‐Maksoud | Rabab Kamel
Source: Pharmaceutics (article, 2023-12-06)
Field: Materials Science — Biomaterials

Cellulosic Textiles—An Appealing Trend for Different Pharmaceutical Applications Cellulose, the most abundant biopolymer in nature, is derived from various sources. The production of pharmaceutical textiles based on cellulose represents a growing sector. In medicated textiles, textile and pharmaceutical sciences are integrated to develop new healthcare approaches aiming to improve patient compliance. Through the possibility of cellulose functionalization, pharmaceutical textiles can broaden the applications of cellulose in the biomedical field. This narrative review aims to illustrate both the methods of extraction and preparation of cellulose fibers, with a particular focus on nanocellulose, and diverse pharmaceutical applications like tissue restoration and antimicrobial, antiviral, and wound healing applications. Additionally, the merging between fabricated cellulosic textiles with drugs, metal nanoparticles, and plant-derived and synthetic materials are also illustrated. Moreover, new emerging technologies and the use of smart medicated textiles (3D and 4D cellulosic textiles) are not far from those within the review scope. In each section, the review outlines some of the limitations in the use of cellulose textiles, indicating scientific research that provides significant contributions to overcome them. This review also points out the faced challenges and possible solutions in a trial to present an overview on all issues related to the use of cellulose for the production of pharmaceutical textiles. Cellulosic ethanol ; Nanocellulose ; Cellulose ; Textile ; Nanotechnology ; Biochemical engineering ; Pulp and paper industry ; Polymer science ; Materials science ; Engineering ; Chemical engineering ; Composite material Advanced Cellulose Research Studies ; biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications
Authors: Kainan Wang | Wentuo Hu | Wanli He | Zhou Yang | Hui Cao | Dong Wang | Yuzhan Li
Source: Materials (article, 2023-12-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Research Progress of Electrically Driven Multi-Stable Cholesteric Liquid Crystals Electrically driven multi-stable cholesteric liquid crystals can be used to adjust the transmittance of incident light. Compared with the traditional liquid crystal optical devices, the multi-stable devices only apply an electric field during switching and do not require a continuous electric field to maintain the various optical states of the device. Therefore, the multi-stable devices have low energy consumption and have become a research focus for researchers. However, the multi-stable devices still have shortcomings before practical application, such as contrast, switching time, and mechanical strength. In this article, the latest research progress on electrically driven multi-stable cholesteric liquid crystals is reviewed, including electrically driven multi-stable modes, performance optimization, and applications. Finally, the challenges and opportunities of electrically driven multi-stable cholesteric liquid crystals are discussed in anticipation of contributing to the development of multi-stable liquid crystal devices. Materials science ; Liquid crystal ; Electric field ; Transmittance ; Cholesteric liquid crystal ; Optoelectronics ; Liquid-crystal display ; Nanotechnology ; Engineering physics Liquid Crystal Research Advancements ; Photonic and Optical Devices ; Photonic Crystals and Applications
Authors: Sagar Bhandari | Vikas Yadav | Aqsa Ishaq | Sailakshmn Sanipini | Chukwuyem Ekhator | Rafeef Khleif | Alee Beheshtaein | Loveleen Kaur Jhajj | Aimen Waqar Khan | Ahmed Al Khalifa | Muhammad Arsal Naseem | Sophia B Bellegarde | Muhammad Nadeem
Source: Cureus (review, 2023-08-09)
Field: Materials Science — Biomaterials

Trends and Challenges in the Development of 3D-Printed Heart Valves and Other Cardiac Implants: A Review of Current Advances This article provides a comprehensive review of the current trends and challenges in the development of 3D-printed heart valves and other cardiac implants. By providing personalized solutions and pushing the limits of regenerative medicine, 3D printing technology has revolutionized the field of cardiac healthcare. The use of several organic and synthetic polymers in 3D printing heart valves is explored in this article, with emphasis on both their benefits and drawbacks. In cardiac tissue engineering, stem cells are essential, and their potential to lessen immunological rejection and thrombogenic consequences is highlighted. In the clinical applications section, the article emphasizes the importance of 3D printing in preoperative planning. Surgery results are enhanced when surgeons can visualize and assess the size and placement of implants using patient-specific anatomical models. Customized implants that are designed to match the anatomy of a particular patient reduce the likelihood of complications and enhance postoperative results. The development of physiologically active cardiac implants, made possible by 3D bioprinting, shows promise by eliminating the need for artificial valves. In conclusion, this paper highlights cutting-edge research and the promise of 3D-printed cardiac implants to improve patient outcomes and revolutionize cardiac treatment. Medicine ; 3d printed ; Cardiac valve ; 3D bioprinting ; 3D printing ; Biocompatible material ; Intensive care medicine ; Biomedical engineering ; Tissue engineering ; Surgery ; Mechanical engineering ; Engineering Electrospun Nanofibers in Biomedical Applications ; 3D Printing in Biomedical Research ; Additive Manufacturing and 3D Printing Technologies
Authors: Lamya H. Al-Wahaibi | Mohamed Hisham | Hesham A. Abou‐Zied | Heba A. Hassan | Bahaa G. M. Youssif | Stefan Bräse | Alaa M. Hayallah | Nada M. Mohamed
Source: Pharmaceuticals (article, 2023-10-26)
Field: Chemistry — Organic Chemistry

Quinazolin-4-one/3-cyanopyridin-2-one Hybrids as Dual Inhibitors of EGFR and BRAFV600E: Design, Synthesis, and Antiproliferative Activity A novel series of hybrid compounds comprising quinazolin-4-one and 3-cyanopyridin-2-one structures has been developed, with dual inhibitory actions on both EGFR and BRAF<sup>V600E</sup>. These hybrid compounds were tested in vitro against four different cancer cell lines. Compounds <b>8</b>, <b>9</b>, <b>18</b>, and <b>19</b> inhibited cell proliferation significantly in the four cancer cells, with GI<sub>50</sub> values ranging from 1.20 to 1.80 µM when compared to Doxorubicin (GI<sub>50</sub> = 1.10 µM). Within this group of hybrids, compounds 18 and 19 exhibited substantial inhibition of EGFR and BRAF<sup>V600E</sup>. Molecular docking investigations provided confirmation that compounds <b>18</b> and <b>19</b> possess the capability to inhibit EGFR and BRAF<sup>V600E</sup>. Moreover, computational ADMET prediction indicated that most of the newly synthesized hybrids have low toxicity and minimal side effects. In vitro ; Hybrid ; EGFR inhibitors ; Chemistry ; Docking (animal) ; Doxorubicin ; Cell growth ; Cell culture ; Cancer research ; Computational biology ; Epidermal growth factor receptor ; Pharmacology ; Combinatorial chemistry ; Biology ; Biochemistry ; Medicine ; Receptor ; Genetics ; Chemotherapy Quinazolinone synthesis and applications ; Cancer therapeutics and mechanisms ; HER2/EGFR in Cancer Research
Authors: Xin Lü | Shihao Zhang | Yaning Wang | Xiang Gao | Kaining Yang | Zhongqing Guo | Yuchen Gao | Yu Ye | Zheng Han | Jianpeng Liu
Source: Nature Communications (article, 2023-09-09)
Field: Materials Science — Materials Chemistry

Synergistic correlated states and nontrivial topology in coupled graphene-insulator heterostructures Graphene has aroused great attention due to the intriguing properties associated with its low-energy Dirac Hamiltonian. When graphene is coupled with a correlated insulating substrate, electronic states that cannot be revealed in either individual layer may emerge in a synergistic manner. Here, we theoretically study the correlated and topological states in Coulomb-coupled and gate-tunable graphene-insulator heterostructures. By electrostatically aligning the electronic bands, charge carriers transferred between graphene and the insulator can yield a long-wavelength electronic crystal at the interface, exerting a superlattice Coulomb potential on graphene and generating topologically nontrivial subbands. This coupling can further boost electron-electron interaction effects in graphene, leading to a spontaneous bandgap formation at the Dirac point and interaction-enhanced Fermi velocity. Reciprocally, the electronic crystal at the interface is substantially stabilized with the help of cooperative interlayer Coulomb coupling. We propose a number of substrate candidates for graphene to experimentally demonstrate these effects. Graphene ; Heterojunction ; Condensed matter physics ; Topological insulator ; Coulomb ; Hamiltonian (control theory) ; Superlattice ; Fermi energy ; Topology (electrical circuits) ; Bilayer graphene ; Band gap ; Coupling (piping) ; Graphene nanoribbons ; Materials science ; Electron ; Insulator (electricity) ; Physics ; Nanotechnology ; Quantum mechanics ; Optoelectronics Graphene research and applications ; Topological Materials and Phenomena ; Quantum and electron transport phenomena
Authors: Cyrus Boushehri | Chris Cadigan | Chris Chmura | Gus Floerchinger | Neal P. Sullivan | Robert J. Braun | Tyrone L. Vincent
Source: Journal of Power Sources (article, 2023-06-09)
Field: Materials Science — Materials Chemistry

Experimental validation of model predictive control for solid oxide fuel cells Model predictive control ; Solid oxide fuel cell ; Fuel cells ; Controller (irrigation) ; Cathode ; Control theory (sociology) ; Oxide ; Block (permutation group theory) ; Computer science ; Engineering ; Control engineering ; Control (management) ; Materials science ; Chemistry ; Chemical engineering ; Anode ; Electrical engineering Advancements in Solid Oxide Fuel Cells ; Fuel Cells and Related Materials ; Advanced Control Systems Optimization
Authors: Haiyan Lu | Hua Zhang | Lingjun Li
Source: Analytical and Bioanalytical Chemistry (review, 2023-07-19)
Field: Chemistry — Spectroscopy

Chemical tagging mass spectrometry: an approach for single-cell omics Derivatization ; Metabolome ; Metabolomics ; Mass spectrometry ; Chemistry ; Proteomics ; Lipidome ; Proteome ; Chemical ionization ; Chromatography ; Computational biology ; Lipidomics ; Biochemistry ; Ionization ; Biology Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Henock M. Deberneh | Doaa R. Abdelrahman | Sunil K. Verma | Jennifer J. Linares | Andrew J. Murton | William K. Russell | Muge N. Kuyumcu‐Martinez | Benjamin F. Miller | Rovshan G. Sadygov
Source: Communications Chemistry (article, 2023-04-17)
Field: Chemistry — Spectroscopy

Quantifying label enrichment from two mass isotopomers increases proteome coverage for in vivo protein turnover using heavy water metabolic labeling Heavy water metabolic labeling followed by liquid chromatography coupled with mass spectrometry is a powerful high throughput technique for measuring the turnover rates of individual proteins in vivo. The turnover rate is obtained from the exponential decay modeling of the depletion of the monoisotopic relative isotope abundance. We provide theoretical formulas for the time course dynamics of six mass isotopomers and use the formulas to introduce a method that utilizes partial isotope profiles, only two mass isotopomers, to compute protein turnover rate. The use of partial isotope profiles alleviates the interferences from co-eluting contaminants in complex proteome mixtures and improves the accuracy of the estimation of label enrichment. In five different datasets, the technique consistently doubles the number of peptides with high goodness-of-fit characteristics of the turnover rate model. We also introduce a software tool, d2ome+, which automates the protein turnover estimation from partial isotope profiles. Isotopomers ; Proteome ; Chemistry ; Isotope ; Mass spectrometry ; Protein turnover ; Monoisotopic mass ; Chromatography ; In vivo ; Turnover ; Biological system ; Analytical Chemistry (journal) ; Biochemistry ; Protein biosynthesis ; Biology Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Mass Spectrometry Techniques and Applications
Authors: Abeer M. Salama | Emanne Rashad | Ahmed Elgarahy | Khalid Z. Elwakeel
Source: Aswan University Journal of Environmental Studies (article, 2023-02-01)
Field: Chemistry — Analytical Chemistry

Effect of green synthesized iron oxide nanoparticles on bacterial microbiome for clean up the crude oil Nano-bioremediation approach involving the synergistic interaction between indigenous microorganisms and nanoparticles offers an affordable, environmentally, and beneficial solution for wastewater treatment. Herein, environmentally benign, Eichhornia crassipes-mediated green synthesized iron oxide nanoparticles (GS-IONPs) were prepared. The as-prepared GS-IONPs were properly characterized using different spectral analyses. Moreover, a bacterial microbiome was systematically isolated from a wastewater treatment unit located in the natural gas facility, Port Said, Egypt, and grown on a nutrient agar medium. The growth-enhancing effect of GSIONPs on the bacterial community at different interval periods was studied. Bioremediation activity of employed bacterial consortium towards crude oil was carried out. The outcome data experimentally symbolized that the bacterial consortium was remarkably stable under pH of 7.0 and temperature of 37.0°C (optimized conditions). Besides, the growth of bacterial consortium was directly proportional to the concentration of GS-IONPs up to the optimum dosage of 0.04 g. Compared to the control sample (non-treated GS-IONPs specimen), the removal % of COD, BOD, and TOC interestingly improved by 74.76, 77.17, and 85.44%, respectively (e.g., 0.04 g of GS-IONPs). Overall, the present study illustrates an ample perspective of nano-bioremediation feasibility as a futuristic rational platform for decontamination of crude oil wastewater using a hydrocarbon-degrading bacterial consortium. Microbiome ; Clean-up ; Iron oxide nanoparticles ; Crude oil ; Nanoparticle ; Clean energy ; Iron oxide ; Nanotechnology ; Chemistry ; Chemical engineering ; Materials science ; Environmental science ; Metallurgy ; Petroleum engineering ; Chromatography ; Biology ; Environmental engineering ; Engineering ; Bioinformatics Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques