jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yusuff Olayiwola | Lauren Gollahon
Source: International Journal of Molecular Sciences (article, 2024-06-11)
Field: Chemistry — Organic Chemistry

Chlorogenic Acid and Cinnamaldehyde in Combination Inhibit Metastatic Traits and Induce Apoptosis via Akt Downregulation in Breast Cancer Cells Most reported breast cancer-associated deaths are directly correlated with metastatic disease. Additionally, the primary goal of treating metastatic breast cancer is to prolong life. Thus, there remains the need for more effective and safer strategies to treat metastatic breast cancer. Recently, more attention has been given to natural products (or phytochemicals) as potential anticancer treatments. This study aimed to investigate the synergistic effects of the combination of the phytochemicals chlorogenic acid and cinnamaldehyde (CGA and CA) toward inhibiting metastasis. The hypothesis was that CGA and CA in combination decrease the metastatic potential of breast cancer cells by inhibiting their invasive and migratory abilities as well as the induction of apoptosis via the downregulation of the Akt, disrupting its signal transduction pathway. To test this, wound-healing and Transwell™ Matrigel™ assays were conducted to assess changes in the migration and invasion properties of the cells; apoptosis was analyzed by fluorescence microscopy for Annexin V/propidium iodide; and immunoblotting and FACSort were performed on markers for the epithelial-to-mesenchymal transition status. The results show that CGA and CA significantly downregulated Akt activation by inhibiting phosphorylation. Consequently, increased caspase 3 and decreased Bcl2-α levels were observed, and apoptosis was confirmed. The inhibition of metastatic behavior was demonstrated by the attenuation of N-cadherin, fibronectin, vimentin, and MMP-9 expressions with concomitant increased expressions of E-cadherin and EpCAM. In summary, the present study demonstrated that CGA and CA in combination downregulated Akt activation, inhibited the metastatic potential, and induced apoptosis in different breast cancer cell lines. Protein kinase B ; Cancer research ; Apoptosis ; Propidium iodide ; PI3K/AKT/mTOR pathway ; Downregulation and upregulation ; Metastasis ; Breast cancer ; Epithelial–mesenchymal transition ; Metastatic breast cancer ; Medicine ; Chemistry ; Cancer ; Biology ; Programmed cell death ; Internal medicine ; Biochemistry Plant-Derived Bioactive Compounds ; Synthesis and biological activity ; Cancer Cells and Metastasis
Authors: Yinuo Zhang | Xueyan Li | Yuang Li | Di Wu | Xuecen Miao | Lan Li | Tai Min | Yi Pan
Source: Small Structures (article, 2024-04-12)
Field: Materials Science — Materials Chemistry

Transport Property Evolution in 2H‐MoTe<sub>2−<i>x</i></sub> Mediated by Te‐Deficiency‐Induced Mirror Twin Boundary Networks The 2H‐MoTe 2 is a well‐known layered 2D semiconductor that is considered as a promising material for next‐generation microelectronic and optoelectronic devices. Te‐deficiency‐induced defective structures, like Te vacancy and mirror twin boundary (MTB), would be generated at elevated temperatures. However, the temperature‐dependent evolution of such defects and their influence on the macroscopic electrical transport property of 2H‐MoTe 2 is unclear. Herein, the semiconductor–metal transition phenomenon in 2H‐MoTe 2− x mediated by the evolving disordered MTB network with increasing Te deficiency is reported on. The samples are grown by molecular beam epitaxy, while the Te deficiency is tuned by post‐growth flash annealing in ultra‐high vacuum. Low‐temperature scanning tunneling microscope investigation discloses the medium‐range disorder evolution of the MTB network incorporated in the 2H‐MoTe 2 , which eventually transforms to an ordered metallic Mo 5 Te 8 metastable phase. The scanning tunneling spectroscopy shows rich in‐gap states localized at the MTBs, which provide a conducting channel in the semiconductor. The ultra‐high vacuum in situ transport measurement shows a gradual decrease of resistance of the sample upon flash annealing from 50 to 480 °C, confirming the influence of Te deficiency on the transport property, which would play an essential role in the device performance and durability. Annealing (glass) ; Materials science ; Semiconductor ; Molecular beam epitaxy ; Scanning tunneling microscope ; Condensed matter physics ; Microelectronics ; Optoelectronics ; Vacancy defect ; Metastability ; Crystallography ; Epitaxy ; Nanotechnology ; Chemistry ; Physics 2D Materials and Applications ; Advanced Thermoelectric Materials and Devices ; Topological Materials and Phenomena
Authors: Aurora Callahan | Xien Yu Chua | Alijah A. Griffith | Tobias Hildebrandt | Guoping Fu | Mengzhou Hu | Renren Wen | Arthur R. Salomon
Source: PROTEOMICS (article, 2024-08-01)
Field: Chemistry — Spectroscopy

Deep phosphotyrosine characterisation of primary murine T cells using broad spectrum optimisation of selective triggering Sequencing the tyrosine phosphoproteome using MS-based proteomics is challenging due to the low abundance of tyrosine phosphorylation in cells, a challenge compounded in scarce samples like primary cells or clinical samples. The broad-spectrum optimisation of selective triggering (BOOST) method was recently developed to increase phosphotyrosine sequencing in low protein input samples by leveraging tandem mass tags (TMT), phosphotyrosine enrichment, and a phosphotyrosine-loaded carrier channel. Here, we demonstrate the viability of BOOST in T cell receptor (TCR)-stimulated primary murine T cells by benchmarking the accuracy and precision of the BOOST method and discerning significant alterations in the phosphoproteome associated with receptor stimulation. Using 1 mg of protein input (about 20 million cells) and BOOST, we identify and precisely quantify more than 2000 unique pY sites compared to about 300 unique pY sites in non-BOOST control samples. We show that although replicate variation increases when using the BOOST method, BOOST does not jeopardise quantitative precision or the ability to determine statistical significance for peptides measured in triplicate. Many pY previously uncharacterised sites on important T cell signalling proteins are quantified using BOOST, and we identify new TCR responsive pY sites observable only with BOOST. Finally, we determine that the phase-spectrum deconvolution method on Orbitrap instruments can impair pY quantitation in BOOST experiments. Phosphorylation ; Proteomics ; Biology ; Quantitative proteomics ; Tandem mass tag ; Computational biology ; Orbitrap ; Phosphoproteomics ; Cell biology ; Chemistry ; Biochemistry ; Protein phosphorylation ; Protein kinase A ; Mass spectrometry ; Chromatography Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Single-cell and spatial transcriptomics
Authors: Lotfi Saadaoui | Donghao Yang | Faheem Hassan | Ziyang Qiu | Yu Wang | Yujie Fan | Irena Drevenšek‐Olenik | Yigang Li | Xinzheng Zhang | Jingjun Xu
Source: Polymers (article, 2024-08-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electro-Optic Response of Polymer-Stabilized Cholesteric Liquid Crystals with Different Polymer Concentrations Polymer-stabilized cholesteric liquid crystals (PSCLCs) have emerged as promising candidates for one-dimensional photonic lattices that enable precise tuning of the photonic band gap (PBG). This work systematically investigates the effect of polymer concentrations on the AC electric field-induced tuning of the PBG in PSCLCs, in so doing it explores a range of concentrations and provides new insights into how polymer concentration affects both the stabilization of cholesteric textures and the electro-optic response. We demonstrate that low polymer concentrations (≈3 wt. %) cause a blue shift in the short wavelength band edge, while high concentrations (≈10 wt. %) lead to a contraction and deterioration of the reflection band. Polarization optical microscopy was conducted to confirm the phase transition induced by the application of an electric field. The observations confirm that increased polymer concentration stabilizes the cholesteric texture. Particularly, the highly desired fingerprint texture was stabilized in a sample with 10 wt. % of the polymer, whereas it was unstable for lower polymer concentrations. Additionally, higher polymer concentrations also improved the dissymmetry factor and stability of the lasing emission, with the dissymmetry factor reaching the value of around 2 for samples with 10 wt. % of polymer additive. Our results provide valuable comprehension into the design of advanced PSCLC structures with tunable optical properties, enhancing device performance and paving the way for innovative photonic applications. Materials science ; Polymer ; Liquid crystal ; Photonic crystal ; Photonics ; Wavelength ; Lasing threshold ; Band gap ; Optoelectronics ; Texture (cosmology) ; Electric field ; Composite material Liquid Crystal Research Advancements ; Photonic Crystals and Applications ; Photonic and Optical Devices
Authors: Meiling Wu | Anne Sapin‐Minet | Loïc Stefan | Julien Perrin | Isabelle Raeth‐Fries | Caroline Gaucher
Source: International Journal of Pharmaceutics (article, 2024-12-22)
Field: Materials Science — Biomaterials

Heparinized collagen-based hydrogels for tissue engineering: physical, mechanical and biological properties Self-healing hydrogels ; Heparin ; Chemistry ; Biocompatibility ; Thromboelastography ; Extracellular matrix ; Antithrombotic ; Biomedical engineering ; Partial thromboplastin time ; Thrombin ; Polymer chemistry ; Coagulation ; Biochemistry ; Platelet ; Organic chemistry ; Immunology ; Medicine Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Hemostasis and retained surgical items
Authors: Andrijana Šolajić | Jelena Pešić
Source: Scientific Reports (article, 2024-01-11)
Field: Materials Science — Materials Chemistry

Tailoring electronic and optical properties of hBN/InTe and hBN/GaTe heterostructures through biaxial strain engineering In this research study, we systematically investigate the electronic and optical properties of van der Waals heterostructures (HSs) consisting of InTe (GaTe) and hBN monolayers, subjected to controlled biaxial strain. Our analysis demonstrates that the application of strain induces noteworthy alterations in the electronic band structure, enabling precise manipulation of the band gap and augmentation of the absorption properties of these structures. Employing density functional theory, we conduct a comprehensive examination of the influence of strain on the electronic and optical characteristics of these HSs. Our investigation showcases the remarkable potential of strain engineering in rendering these heterostructures into efficient and robust wide-range absorbers, particularly optimised for the visible spectrum, underscoring their relevance in various photonic and optoelectronic applications, paving the way for integration into advanced nanodevices. Strain (injury) ; Strain engineering ; Heterojunction ; Materials science ; Optoelectronics ; Computer science ; Physics ; Biology ; Silicon ; Anatomy 2D Materials and Applications ; MXene and MAX Phase Materials ; Perovskite Materials and Applications
Authors: Ana Da Lama | José Pérez Sestelo | Luis A. Sarandeses | M. Montserrat Martı́nez
Source: The Journal of Organic Chemistry (article, 2024-03-19)
Field: Materials Science — Materials Chemistry

Synthesis and Photophysical Properties of β-Alkenyl-Substituted BODIPY Dyes by Indium(III)-Catalyzed Intermolecular Alkyne Hydroarylation A new atom-economical synthesis of β-alkenyl-substituted BODIPYs via indium(III)-catalyzed intermolecular alkyne hydroarylation with <i>meso</i>-substituted BODIPYs is described. While catalysis with InI<sub>3</sub> allows the double β-functionalization of BODIPY, resulting in regioselectively branched β,β'-disubstituted alkenyl BODIPYs, catalytic InCl<sub>3</sub> enables the formation of linear β-substituted alkenyl BODIPYs. Subsequent In(III)-catalyzed intermolecular alkyne hydroarylation allows the synthesis of unsymmetrical <i>push</i>-<i>pull</i> BODIPY derivatives. Therefore, indium catalysis offers complementary regioselectivity in good chemical yields and functional group tolerance. The resulting BODIPY dyes displayed bathochromically shifted absorption and emission according to the electron-nature of the substituents in the alkenyl moiety with high molar extinction coefficients (ε up to 88,200 M<sup>-1</sup> cm<sup>-1</sup>) and quantum yields (0.14-0.96). Chemistry ; BODIPY ; Alkyne ; Intermolecular force ; Regioselectivity ; Catalysis ; Moiety ; Indium ; Photochemistry ; Combinatorial chemistry ; Fluorescence ; Organic chemistry ; Molecule Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Nanoplatforms for cancer theranostics
Authors: Riccardo Dettori | Francesco Siddi | Luciano Colombo | Claudio Melis
Source: Advanced Theory and Simulations (article, 2024-12-17)
Field: Materials Science — Materials Chemistry

Superlattice Thermal Modulation in MoS2${\rm MoS}{_2}$ by Defect Engineering Abstract is one of the most investigated and promising transition‐metal dichalcogenides. Its popularity stems from the interesting properties of the monolayer phase, which can serve as the fundamental block for numerous applications. In this paper, an atomistic perspective on the modulation of thermal transport properties in monolayer through strategic defect engineering, specifically the introduction of sulfur vacancies is proposed. Using a combination of molecular dynamics simulations and lattice dynamics calculations, how various distributions of sulfur vacancies (ranging from random to periodically arranged configurations) affect its thermal conductivity is shown. Notably, it is observed that certain periodic arrangements restore the thermal conductivity of the pristine system, due to a minimized interaction between acoustic and optical phonons facilitated by the imposed superperiodicity. This research deepens the understanding of phononic heat transport in two‐dimensional (2D) materials and introduces a different point‐of‐view for phonon engineering in nanoscale devices, offering a pathway to enhance device performance and longevity through tailored thermal management strategies. Superlattice ; Modulation (music) ; Materials science ; Thermal ; Optoelectronics ; Engineering physics ; Computer science ; Physics ; Acoustics ; Thermodynamics 2D Materials and Applications ; MXene and MAX Phase Materials ; Chalcogenide Semiconductor Thin Films
Authors: Md Yousuf Ali | Liron Bar‐Peled
Source: Cell chemical biology (article, 2024-03-01)
Field: Chemistry — Organic Chemistry

Chemical proteomics to study metabolism, a reductionist approach applied at the systems level Proteomics ; Computational biology ; Systems biology ; Reductionism ; Drug discovery ; Profiling (computer programming) ; Cellular metabolism ; Biology ; Genomics ; Metabolism ; Computer science ; Bioinformatics ; Biochemistry ; Genome ; Gene Click Chemistry and Applications ; Biotin and Related Studies ; Microbial Metabolic Engineering and Bioproduction
Authors: Ning Dang | Gustavo Adrián Echeveste Salazar | Alain Walcarius | Liang Liu
Source: Electrochimica Acta (article, 2024-01-01)
Field: Chemistry — Electrochemistry

Scanning gel electrochemical microscopy (SGECM): Elaboration and cross-linking of chitosan-based gel probes Microelectrode ; Cyclic voltammetry ; Glutaraldehyde ; Electrochemistry ; Scanning electrochemical microscopy ; Chitosan ; Scanning probe microscopy ; Scanning electron microscope ; Materials science ; Electrode ; Microscopy ; Chemical engineering ; Analytical Chemistry (journal) ; Nanotechnology ; Chemistry ; Chromatography ; Composite material ; Optics Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Conducting polymers and applications
Authors: Luyang Wang | Zhen Wang | Feng Liu | Xinrui Zhang | Jihong Huang | Guoqing Wang
Source: Advanced Materials Technologies (article, 2024-07-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Programmable Plasmonic Hydrogel Thermometers Actuated by DNA Breathing Abstract Nanothermometry explores the use of temperature‐dependent properties of materials for remote and sensitive thermal readout at the nanoscale. The currently established nanothermometers are largely limited by uncontrollable nanoparticle flocculation, complex experimental setup, and narrow working temperature range. Here it is shown that gold nanoparticles (e.g., spheres, rods) embedded in a hydrogel can afford sensitive, durable, and range‐tunable temperature sensing via the terminal breathing of the nanoparticle surface‐grafted DNA. The realization of the plasmonic hydrogel thermometer with a thermal sensitivity of ≤2 °C relies on the dynamically modulable interparticle spacing by thermo‐responsive terminal base pairing/unpairing of the surface DNA. By altering the alcoholic ratio of the hydrogel, the temperature‐response range can be continuously regulated based on solvent‐mediated DNA base pairing. Compared with the colloidal counterpart, importantly, the hydrogel thermometer exhibits greatly improved thermal sensing capability (e.g., repeatability ≥50 times) while possessing excellent durability. Given the excellent durability, high sensitivity, and programmable temperature response range, the thermometers actuated by DNA breathing for advanced uses in human sensing and optoelectronics are within reach. Materials science ; Thermometer ; Photothermal therapy ; Microheater ; Nanotechnology ; Plasmon ; Sensitivity (control systems) ; Optoelectronics ; Nanoparticle ; Fabrication ; Electronic engineering Gold and Silver Nanoparticles Synthesis and Applications ; Molecular Junctions and Nanostructures ; Advanced biosensing and bioanalysis techniques
Authors: Yasi Dai | Filippo Rambaldi | Fabrizia Negri
Source: Molecules (article, 2024-01-19)
Field: Chemistry — Physical and Theoretical Chemistry

Eclipsed and Twisted Excimers of Pyrene and 2-Azapyrene: How Nitrogen Substitution Impacts Excimer Emission Due to their unique photophysical and electronic properties, pyrene and its analogues have been the subject of extensive research in recent decades. The propensity of pyrene and its derivatives to form excimers has found wide application in various fields. Nitrogen-substituted pyrene derivatives display similar photophysical properties, but for them, excimer emission has not been reported to date. Here, we use time-dependent density functional theory (TD-DFT) calculations to investigate the low-lying exciton states of dimers of pyrene and 2-azapyrene. The excimer equilibrium structures are determined and the contribution of charge transfer (<i>CT</i>) excitations and intermolecular interactions to the exciton states is disclosed using a diabatization procedure. The study reveals that the dimers formed by the two molecules have quite similar exciton-state patterns, in which the relevant <i>CT</i> contributions govern the formation of excimer states, along with the <i>L<sub>a</sub></i>/<i>L<sub>b</sub></i> state inversion. In contrast with pyrene, the dipole-dipole interactions in 2-azapyrene stabilize the dark eclipsed excimer structure and increase the barrier for conversion into a bright twisted excimer. It is suggested that these differences in the nitrogen-substituted derivative might influence the excimer emission properties. Excimer ; Pyrene ; Intermolecular force ; Chemistry ; Exciton ; Photochemistry ; Dipole ; Density functional theory ; Molecule ; Fluorescence ; Chemical physics ; Computational chemistry ; Organic chemistry ; Physics ; Optics Photochemistry and Electron Transfer Studies ; Porphyrin and Phthalocyanine Chemistry ; Analytical Chemistry and Sensors
Authors: Congqi Lin | Ruixiang Peng | Song Wei | Zhenyu Chen | Tingting Feng | Dinghong Sun | Yongqi Bai | Ziyi Ge
Source: Angewandte Chemie (article, 2024-05-18)
Field: Materials Science — Materials Chemistry

Multi‐component Copolymerized Donors enable Frozen Nano‐morphology and Superior Ductility for Efficient Binary Organic Solar Cells Abstract Multi‐component copolymerized donors (MCDs) have gained significant interest and have been rapidly developed in flexible organic solar cells (f‐OSCs) in recent years. However, ensuring the power conversion efficiency (PCE) of f‐OSCs while retaining ideal mechanical properties remains an enormous challenge. The fracture strain ( FS ) value of typical high‐efficiency blend films is generally less than 8 %, which is far from the application standards of wearable photovoltaic devices. Therefore, we developed a series of novel MCDs after meticulous molecular design. Among them, the consistent MCD backbone and end‐capped functional group formed a highly conjugated molecular plane, and the solubilization and mechanical properties were effectively optimized by modifying the proportion of solubilized alkyl chains. Consequently, due to the formation of entangled structures with a frozen blend film morphology considerably improved the high ductility of the active layer, P1 0.8 /P2 0.2 ‐TCl exhibited efficient PCE in rigid (18.53 %) and flexible (17.03 %) OSCs, along with excellent FS values (16.59 %) in pristine films, meanwhile, the outstanding FS values of 25.18 % and 12.3 % were achieved by P1 0.6 /P2 0.4 ‐TCl ‐based pristine and blend films, respectively, which were one of the highest records achieved by end‐capped MCD‐based binary OSCs, demonstrating promising application to synchronize the realization of high‐efficiency and mechanically ductile flexible OSCs. Component (thermodynamics) ; Organic solar cell ; Materials science ; Morphology (biology) ; Nano- ; Ductility (Earth science) ; Organic component ; Binary number ; Chemical engineering ; Nanotechnology ; Polymer chemistry ; Polymer ; Composite material ; Physics Quantum Dots Synthesis And Properties ; Conducting polymers and applications ; Perovskite Materials and Applications