jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shumaila Miraj | Hamid Saeed | Mehwish Iqtedar | Norah A. Albekairi | Nadeem Ahmed | Muhammad Zeeshan Danish | Muhammad Islam | Muhammad Fawad Rasool | Kashif Mairaj Deen | Hassaan Anwer Rathore
Source: Pharmaceuticals (article, 2023-11-13)
Field: Materials Science — Biomaterials

Docetaxel-Loaded Methoxy poly(ethylene glycol)-poly (L-lactic Acid) Nanoparticles for Breast Cancer: Synthesis, Characterization, Method Validation, and Cytotoxicity This study aimed to synthesize and characterize DTX-mPEG-PLA-NPs along with the development and validation of a simple, accurate, and reproducible method for the determination and quantification of DTX in mPEG-PLA-NPs. The prepared NPs were characterized using AFM, DLS, zetasizer, and drug release kinetic profiling. The RP-HPLC assay was developed for DTX detection. The cytotoxicity and anti-clonogenic effects were estimated using MTT and clonogenic assays, respectively, using both MCF-7 and MDA-MB-231 cell lines in a 2D and 3D culture system. The developed method showed a linear response, high precision, accuracy, RSD values of ≤2%, and a tailing factor ≤2, per ICH guidelines. The DTX-mPEG-PLA-NPs exhibited an average particle size of 264.3 nm with an encapsulation efficiency of 62.22%. The in vitro drug kinetic profile, as per the Krosmeyers-Peppas model, demonstrated Fickian diffusion, with initial biphasic release and a multistep sustained release over 190 h. The MTT assay revealed improved in vitro cytotoxicity against MCF-7 and MDA-MB-231 in the 2D cultures and MCF-7 3D mammosphere cultures. Significant inhibitions of the clonogenic potential of MDA-MB-231 were observed for all concentrations of DTX-mPEG-PLA-NPs. Our results highlight the feasibility of detecting DTX via the robust RP-HPLC method and using DTX-mPEG-PLA-NPs as a perceptible and biocompatible delivery vehicle with greater cytotoxic and anti-clonogenic potential, supporting improved outcomes in BC. Clonogenic assay ; Cytotoxicity ; Ethylene glycol ; MTT assay ; Chemistry ; Docetaxel ; MCF-7 ; In vitro ; Cancer cell ; Human breast ; Medicine ; Biochemistry ; Cancer ; Organic chemistry Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Graphene and Nanomaterials Applications
Authors: Alina Begley | Renato Zenobi
Source: Journal of Mass Spectrometry (article, 2023-02-13)
Field: Chemistry — Spectroscopy

Discriminating alkylbenzene isomers with tandem mass spectrometry using a dielectric barrier discharge ionization source Soft ambient ionization sources generate reactive species that interact with analyte molecules to form intact molecular ions, which allows rapid, sensitive, and direct identification of the molecular mass. We used a dielectric barrier discharge ionization (DBDI) source with nitrogen at atmospheric pressure to detect alkylated aromatic hydrocarbon isomers (C<sub>8</sub> H<sub>10</sub> or C<sub>9</sub> H<sub>12</sub> ). Intact molecular ions [M]<sup>•+</sup> were detected at 2.4 kV<sub>pp</sub> , but at increased voltage (3.4 kV<sub>pp</sub> ), [M + N]<sup>+</sup> ions were formed, which could be used to differentiate regioisomers by collision-induced dissociation (CID). At 2.4 kV<sub>pp</sub> , alkylbenzene isomers with different alkyl-substituents could be identified by additional product ions: ethylbenzene and -toluene formed [M-2H]<sup>+</sup> , isopropylbenzene formed abundant [M-H]<sup>+</sup> , and propylbenzene formed abundant C<sub>7</sub> H<sub>7</sub> <sup>+</sup> . At an operating voltage of 3.4 kV<sub>pp</sub> , fragmentation of [M + N]<sup>+</sup> by CID led to neutral loss of HCN and CH<sub>3</sub> CN, which corresponded to steric hindrance for excited state N-atoms approaching the aromatic ring (C-H). The ratio of HCN to CH<sub>3</sub> N loss (interday relative standard deviation [RSD] < 20%) was distinct for ethylbenzene and ethyltoluene isomers. The greater the number of alkyl-substituents (C-CH<sub>3</sub> ) and the more sterically hindered (meta > para > ortho) the aromatic core, the greater the loss of CH<sub>3</sub> CN relative to HCN was. Chemistry ; Ethylbenzene ; Mass spectrometry ; Structural isomer ; Tandem mass spectrometry ; Steric effects ; Electron ionization ; Alkyl ; Photoionization ; Dissociation (chemistry) ; Analytical Chemistry (journal) ; Fragmentation (computing) ; Atmospheric-pressure chemical ionization ; Ion ; Ionization ; Chemical ionization ; Photochemistry ; Toluene ; Organic chemistry ; Chromatography Mass Spectrometry Techniques and Applications ; Advanced Chemical Sensor Technologies ; Analytical Chemistry and Chromatography
Authors: Mahmoud H. Sultan | Ramadan Bedair | Osama G. Ragab | Eman Abd-ElShafy | Amira Y. Mahfouz | Ghadir E. Daigham
Source: Biomass Conversion and Biorefinery (article, 2023-06-09)
Field: Materials Science — Biomaterials

Biological activities and ecological aspects of Limonium pruinosum (L.) collected from Wadi Hof Eastern Desert, Egypt, as a promising attempt for potential medical applications Abstract Very few researchers have focused on the biological efficacy of Limonium plants. In this concern, no investigations were commenced to delve into the in vitro and ex vivo biological actions of Limonium pruinosum in Egypt. Therefore, this work aims to assess for the first time the antimicrobial, antioxidant, and antitumor activities of Limonium pruinosum extract in addition to studying its ability to suppress the transcription of cell cycle–stimulating genes. L. pruinosum ethyl acetate extract exhibits considerable antibacterial and antibiofilm activity versus E. coli ATCC 25922 and Staphylococcus aureus ATCC 25923. Results revealed that L. pruinosum exerts antioxidant effectiveness concerning DPPH, nitric oxide (NO), and hydroxyl radical (OH) scavenging ability with an IC 50 (35.88 ± 2.2, 51.31 ± 1.06, and 65.87 ± 1.19 μg/mL) respectively. The results proved the effectiveness of L. pruinosum in closing wounds in gastric epithelial cells (GES-1) by (79.9343 ± 1.98%) compared with control (68.3637 ± 2.32%) in 48 h. Additionally, L. pruinosum had anticancer activity contrary to breast cancer MCF-7 and liver cancer HepG-2 cell lines with IC 50 values of 96.73 ± 2.18 and 81.81 ± 0.99 μg/mL, respectively, while it had no cytotoxic activity against (Wi-38) normal cells. Also, L. pruinosum extract provoked considerable early- and late-apoptotic cell populations and was effective in inducing cell death of MCF-7. Our findings evoked that L. pruinosum has promising antibacterial, antioxidant, and wound healing activities and a good breast tumor suppressor arresting the cell cycle-stimulating genes, which may be an auspicious approach for the treatment of breast cancer. DPPH ; Antimicrobial ; Antioxidant ; Traditional medicine ; Apoptosis ; Chemistry ; Staphylococcus aureus ; In vitro ; Cell cycle ; Antibacterial activity ; Cytotoxicity ; Biological activity ; Cell growth ; Microbiology ; Biochemistry ; Biology ; Bacteria ; Medicine Phytochemistry and Bioactive Compounds ; Marine Sponges and Natural Products ; Essential Oils and Antimicrobial Activity
Authors: Lukas Korf | Xing Ye | Marian Samuel Vogt | Wieland Steinchen | Mohamed Watad | Chris van der Does | Maxime Tourte | Shamphavi Sivabalasarma | Sonja‐Verena Albers | Lars‐Oliver Essen
Source: mBio (article, 2023-11-14)
Field: Materials Science — Materials Chemistry

Archaeal GPN-loop GTPases involve a lock-switch-rock mechanism for GTP hydrolysis GPN-loop GTPases have been found to be crucial for eukaryotic RNA polymerase II assembly and nuclear trafficking. Despite their ubiquitous occurrence in eukaryotes and archaea, the mechanism by which these GTPases mediate their function is unknown. Our study on an archaeal representative from <i>Sulfolobus acidocaldarius</i> showed that these dimeric GTPases undergo large-scale conformational changes upon GTP hydrolysis, which can be summarized as a lock-switch-rock mechanism. The observed requirement of <i>Sa</i>GPN for motility appears to be due to its large footprint on the archaeal proteome. GTPase ; Sulfolobus acidocaldarius ; GTP' ; Biology ; Cell biology ; Biochemistry ; Archaea ; Biophysics ; Enzyme ; Gene Enzyme Structure and Function ; Bacterial Genetics and Biotechnology ; RNA and protein synthesis mechanisms
Authors: Tangjie Cheng | Zebin Zhu | Xinxin Wang | Lin Zhu | Aidong Li | Liyong Jiang | Yanqiang Cao
Source: Nanotechnology (article, 2023-03-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Atomic layer deposition assisted fabrication of large-scale metal nanogaps for surface enhanced Raman scattering Metal nanogaps can confine electromagnetic field into extremely small volumes, exhibiting strong surface plasmon resonance effect. Therefore, metal nanogaps show great prospects in enhancing light-matter interaction. However, it is still challenging to fabricate large-scale (centimeter scale) nanogaps with precise control of gap size at nanoscale, limiting the practical applications of metal nanogaps. In this work, we proposed a facile and economic strategy to fabricate large-scale sub-10 nm Ag nanogaps by the combination of atomic layer deposition (ALD) and mechanical rolling. The plasmonic nanogaps can be formed in the compacted Ag film by the sacrificial Al<sub>2</sub>O<sub>3</sub>deposited via ALD. The size of nanogaps are determined by the twice thickness of Al<sub>2</sub>O<sub>3</sub>with nanometric control. Raman results show that SERS activity depends closely on the nanogap size, and 4 nm Ag nanogaps exhibit the best SERS activity. By combining with other porous metal substrates, various sub-10 nm metal nanogaps can be fabricated over large scale. Therefore, this strategy will have significant implications for the preparation of nanogaps and enhanced spectroscopy. Materials science ; Atomic layer deposition ; Nanotechnology ; Fabrication ; Raman scattering ; Nanoscopic scale ; Plasmon ; Raman spectroscopy ; Deposition (geology) ; Layer (electronics) ; Surface plasmon resonance ; Optoelectronics ; Nanoparticle ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Nanowire Synthesis and Applications
Authors: Sherri B. Turnipseed | Christine R. Casey
Source: Analytical and Bioanalytical Chemistry (article, 2023-09-19)
Field: Chemistry — Spectroscopy

Suspect screening for chemical residues in aquacultured shrimp and fish using liquid chromatography-high resolution mass spectrometry: comparison of data evaluation approaches Shrimp ; Chromatography ; Chemistry ; Analyte ; Mass spectrometry ; Fish <Actinopterygii> ; Aquaculture ; Liquid chromatography–mass spectrometry ; Database ; Biology ; Computer science ; Fishery Analytical Chemistry and Chromatography ; Metabolomics and Mass Spectrometry Studies ; Environmental Toxicology and Ecotoxicology
Authors: Hari Krishna Salila Vijayalal Mohan | Pyei Phyo Aung | Chee Fong Ng | Zheng Zheng Wong | Andrew Alexander Malcolm
Source: Electronics (article, 2023-01-10)
Field: Chemistry — Analytical Chemistry

Rapid Non-Invasive Capacitive Assessment of Extra Virgin Olive Oil Authenticity Economically motivated adulteration (EMA) and/or cross-contamination are the two major factors resulting in the substandard quality of premium edible oil like extra virgin olive oil (EVOO) produced in food and beverage (F&amp;B) fast-moving consumer goods (FMCG) industries. Current quality assurance methods (e.g., spectroscopy and chromatography) in FMCG involve intrusive sample extraction and ex situ analysis in a laboratory using expensive bulky instrumentation, which is neither integrable inline nor scalable to match the production throughput. Such techniques do not meet the industrial requirements of in situ testing, non-intrusive analysis, and high throughput inspection (100% product verification) leading to food loss and package waste from unwanted batch rejects. Herein, a low-cost electrical approach based on capacitance is proposed to show the proof of concept for screening EVOO-filled containers non-invasively for adulteration without any sample extraction by capturing the differences in the dielectric properties of mixed oils. The sensor system displayed a fast response (100 ms) and low detection limits for different adulterants (olive oil (32.8%), canola oil (19.4%), soy oil (10.3%) and castor oil (1.7%)), which is suitable for high-throughput (&gt;60 sample/min) screening. Furthermore, a low-cost automated system prototype was realized to showcase the possibility of translating the proof of concept for possible scaling up and inline integration. Throughput ; Process engineering ; Olive oil ; Sample (material) ; Canola ; Adulterant ; Vegetable oil ; Environmental science ; Computer science ; Biochemical engineering ; Engineering ; Food science ; Chemistry ; Chromatography ; Telecommunications Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Edible Oils Quality and Analysis
Authors: Nicole E. Friend | Jeffrey A. Beamish | Emily A. Margolis | Nicholas G. Schott | Jan P. Stegemann | Andrew J. Putnam
Source: Journal of Biomedical Materials Research Part A (article, 2023-06-16)
Field: Materials Science — Biomaterials

Pre‐cultured, cell‐encapsulating fibrin microbeads for the vascularization of ischemic tissues There is a significant clinical need to develop effective vascularization strategies for tissue engineering and the treatment of ischemic pathologies. In patients afflicted with critical limb ischemia, comorbidities may limit common revascularization strategies. Cell-encapsulating modular microbeads possess a variety of advantageous properties, including the ability to support prevascularization in vitro while retaining the ability to be injected in a minimally invasive manner in vivo. Here, fibrin microbeads containing human umbilical vein endothelial cells (HUVEC) and bone marrow-derived mesenchymal stromal cells (MSC) were cultured in suspension for 3 days (D3 PC microbeads) before being implanted within intramuscular pockets in a SCID mouse model of hindlimb ischemia. By 14 days post-surgery, animals treated with D3 PC microbeads showed increased macroscopic reperfusion of ischemic foot pads and improved limb salvage compared to the cellular controls. Delivery of HUVEC and MSC via microbeads led to the formation of extensive microvascular networks throughout the implants. Engineered vessels of human origins showed evidence of inosculation with host vasculature, as indicated by erythrocytes present in hCD31+ vessels. Over time, the total number of human-derived vessels within the implant region decreased as networks remodeled and an increase in mature, pericyte-supported vascular structures was observed. Our findings highlight the potential therapeutic benefit of developing modular, prevascularized microbeads as a minimally invasive therapeutic for treating ischemic tissues. Fibrin ; Biomedical engineering ; Cell ; Chemistry ; Medicine ; Biochemistry ; Immunology Electrospun Nanofibers in Biomedical Applications ; Mesenchymal stem cell research ; Tissue Engineering and Regenerative Medicine
Authors: Jake Kline | Michael W. Belford | Cornelia Boeser | Romain Huguet | Ryan T. Fellers | Joseph A. Greer | Sylvester Greer | David M. Horn | Kenneth R. Durbin | Jean‐Jacques Dunyach | Nagib Ahsan | Luca Fornelli
Source: ChemRxiv (preprint, 2023-02-20)
Field: Chemistry — Spectroscopy

Orbitrap mass spectrometry and high-field asymmetric waveform ion mobility spectrometry (FAIMS) enable the in-depth analysis of human serum proteoforms Blood serum and plasma are arguably the most commonly analyzed clinical samples, with dozens of proteins serving as validated biomarkers for various human diseases. Top-down proteomics may provide additional insights into disease etiopathogenesis since this approach focuses on protein forms, or proteoforms, originally circulating in blood, potentially providing access to information about relevant post-translational modifications, truncation, single amino acid substitutions and many other sources of protein variation. However, the vast majority of proteomic studies on serum and plasma are carried out using peptide-centric, bottom-up approaches which cannot recapitulate the original proteoform content of samples. Lengthy sample preparation and the need for extensive prefractionation to mitigate proteoform dynamic range issues are likely factors preventing clinical laboratories from routinely performing top-down experiments. In this study, we describe a straightforward protocol for intact proteoform sample preparation based on depletion of albumin and immunoglobulins followed by simplified fractionation of remaining serum proteins via polyacrylamide gel electrophoresis. After molecular weight-based fractionation, we supplemented the traditional liquid chromatography tandem mass spectrometry (LC-MS2) data acquisition with high-field asymmetric waveform ion mobility spectrometry (FAIMS), which served as an additional separation dimension to further simplify serum proteoforms mixtures. This LC-FAIMS-MS2 method led to the identification of over 1,000 serum proteoforms <30 kDa using a reduced number of experiments, more than doubling the number of proteoforms identified in previous studies. Orbitrap ; Chemistry ; Ion-mobility spectrometry ; Mass spectrometry ; Top-down proteomics ; Chromatography ; Tandem mass spectrometry ; Fractionation ; Proteome ; Proteomics ; Selected reaction monitoring ; Biochemistry Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Ali M. Abdel‐Mageed | Sebastián Cisneros | Jawaher Mosrati | Hanan Atia | Thanh Huyen Vuong | Nils Rockstroh | Sebastian Wohlrab | Angelika Brückner | Jabor Rabeah
Source: ChemCatChem (article, 2023-02-21)
Field: Materials Science — Materials Chemistry

Controlling Activity of Heterogeneous Cu Single‐Atom Catalysts by Fine‐Tuning the Redox Properties of CeO<sub>2</sub>‐TiO<sub>2</sub> Supports Abstract Understanding and enhancing the activity of heterogeneous single‐atom catalysts (SACs) are indispensable aspects to use them in industrial applications. Among these, low‐temperature CO oxidation is considered as a model reaction for testing a wide‐range of oxidation catalysts, and as an essential process for the exhaust aftertreatment in modern combustion engines. This study demonstrates that the activity of heterogeneous Cu/CeO 2 −TiO 2 SAC catalysts can be fine‐tuned by controlling the Ce/Ti ratio in CeO 2 −TiO 2 supports, with the highest catalytic activity achieved for a Ce/Ti molar ratio of 0.18. Based on DRIFT, EEL, and EPR spectroscopies, together with high‐resolution electron microscopy and H 2 ‐TPR measurements, it is inferred that the optimized Ce/Ti ratio correlates with i) highest dispersion of separate CeO 2 particles on TiO 2 surface, ii) more facile reduction of Ce 4+ to Ce 3+ , and iii) enhanced formation of −Cu 2+ −O−Ce 4+ −⇆−Cu + −□−Ce 3+ − redox shuttles, which play a dual role for CO adsorption and O 2 ‐activation. These results extend the understanding of heterogeneous metal single‐atom catalysts and constitute a robust approach for the rational control of their catalytic performance in technically relevant applications. Catalysis ; Redox ; Materials science ; Heterogeneous catalysis ; Chemical engineering ; Dispersion (optics) ; Atom (system on chip) ; Electron paramagnetic resonance ; Metal ; Transition metal ; Adsorption ; Nanotechnology ; Chemistry ; Physical chemistry ; Metallurgy ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Electrocatalysts for Energy Conversion
Authors: Xiao-Yan Xin | Yudai Zhou | Kai Zhang | Zhengxu Cai | Jianbing Shi | Bin Tong | Yuping Dong
Source: Dyes and Pigments (article, 2023-05-17)
Field: Materials Science — Materials Chemistry

Improving the sensitivity of protein fluorescent probes by molecular structural fine-tuning based on aggregation-induced emission mechanism Fluorescence ; Chemistry ; Intramolecular force ; Bovine serum albumin ; Furan ; Molecule ; Photochemistry ; Chromatography ; Stereochemistry ; Organic chemistry Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Advanced biosensing and bioanalysis techniques
Authors: Tuyen Do | Bichar Dip Shrestha Gurung | Shiva Aryal | Anup Khanal | Sandeep Chataut | Venkataramana Gadhamshetty | Carol Lushbough | Etienne Z. Gnimpiéba
Source:  (article, 2023-12-05)
Field: Materials Science — Materials Chemistry

Utilizing XGBoost for the Prediction of Material Corrosion Rates from Embedded Tabular Data using Large Language Model Microbial corrosion, scientifically referred to as microbial-induced corrosion (MIC), constitutes a noteworthy and frequently underestimated concern within diverse industrial domains. This phenomenon manifests when microorganisms, including bacteria, archaea, and fungi, engage with structural materials, resulting in the degradation of infrastructure and equipment. The accurate prognostication of material microbial corrosion rates is of upmost importance in the formulation of proactive strategies for maintenance and corrosion control. In this study, a novel methodology is introduced, which harnesses the capabilities of XGBoost, an advanced gradient boosting algorithm, for the precise prediction of material microbial corrosion rates. This predictive process is facilitated by employing tabular data that is intricately embedded within a comprehensive large language models (LLMs). The integration of tabular data into the language model yields a sophisticated contextual comprehension of the data, thereby augmenting the model's precision by its aptitude to discern intricate relationships and semantic nuances intrinsic to the tabular data. Corrosion ; Computer science ; Comprehension ; Process (computing) ; Microbial population biology ; Artificial intelligence ; Materials science ; Programming language ; Metallurgy ; Geology Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Infrastructure Maintenance and Monitoring
Authors: Janaya D. Sachs | Ryan J. Anderson | Ian A. Tonks
Source: ACS Catalysis (article, 2023-10-31)
Field: Materials Science — Biomaterials

Catalyst Control of Polyester Branching in the Hydroesterificative Polymerization of 10-Undecen-1-ol Unlike polyolefin synthesis, where catalysts can be used to control the microstructure and generate multiple different materials from a single monomer, polyester microstructures are typically dictated by the monomer feedstock structure. Here, catalyst control of the degree of branching in poly(dodeceyloate) via hydroesterificative polymerization of 10-undecen-1-ol is reported. By varying palladium precursors and monophosphine ligands, poly(dodecyloate) with α methyl branching percentages ranging from 28 to 78% can be achieved. These polyesters initially feature moderate molecular weights ranging from 7.2 to 9.4 kg/mol, but an additional transesterification step can increase the molecular weight up to 15.8 kg/mol, sidestepping challenges associated with low conversions in branch-selective hydroesterification reactions. The branched content can be further fine-tuned through a dual catalytic strategy, where the use of phosphine ligand mixtures can yield multiple active catalytic species (of varying regioselectivity) that can cooperatively construct the polyester through step-growth polymerization. Polymerization ; Branching (polymer chemistry) ; Polyester ; Catalysis ; Monomer ; Polymer chemistry ; Polyolefin ; Materials science ; Organic chemistry ; Chemistry ; Chemical engineering ; Polymer biodegradable polymer synthesis and properties ; Organometallic Complex Synthesis and Catalysis ; Carbon dioxide utilization in catalysis