jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xingliang Shen | Meiwen Cao
Source: Nanomaterials (article, 2024-03-26)
Field: Materials Science — Materials Chemistry

Bicontinuous Interfacially Jammed Emulsion Gels (Bijels): Preparation, Control Strategies, and Derived Porous Materials Bicontinuous interfacially jammed emulsion gels, also known as Bijels, are a new type of soft condensed matter. Over the last decade, Bijels have attracted considerable attention because of their unique morphology, property, and broad application prospects. In the present review, we summarize the preparation methods and main control strategies of Bijels, focusing on the research progress and application of Bijels as templates for porous materials preparation in recent years. The potential future directions and applications of Bijels are also envisaged. Emulsion ; Materials science ; Porosity ; Nanotechnology ; Template ; Porous medium ; Polymer science ; Chemical engineering ; Composite material ; Engineering Pickering emulsions and particle stabilization ; Surfactants and Colloidal Systems ; Proteins in Food Systems
Authors: Nosibah Abdul-Razek | Rehab G. Khalil | Mahmoud Abdel‐Latif | Mahmoud M. Kamel | Ibrahim M. Alhazza | Ezzat M. Awad | Hossam Ebaid | Abdelaziz S. A. Abuelsaad
Source: BioNanoScience (article, 2024-12-19)
Field: Chemistry — Organic Chemistry

Investigating the Tumor-Suppressive, Antioxidant Effects and Molecular Binding Affinity of Quercetin-Loaded Selenium Nanoparticles in Breast Cancer Cells Abstract In 2023, breast cancer is expected to have nearly 2 million new cases, making it the second most common cancer overall and the most prevalent among women. Multidrug resistance limits the effectiveness of chemotherapy; however, quercetin, a natural flavonoid, helps combat this issue. The goal of the current investigation is to determine the impact of a novel composite of quercetin and selenium nanoparticles (SeNPs) on the breast cancer cell lines MDA-MB-231 and MCF-7 in order to enhance quercetin’s tumor-suppressive action and decrease selenium (Se) toxicity. Particle size, zeta potential, FTIR, SEM, UV–VIS spectroscopy, and EDX were used to characterize quercetin-selenium nanoparticles (Que-SeNPs), in addition to evaluation of the antioxidant, apoptotic, and anticancer properties. Moreover, autophagy (Atg-13) protein receptors and PD-1/PD-L1 checkpoint were targeted using molecular docking modeling and molecular dynamics (MD) simulations to assess the interaction stability between Que-SeNPs and three targets: PDL-1, PD-1, and Atg-13 HORMA domain. Que-SeNPs, synthesized with quercetin, were stable, semi-spherical (80–117 nm), and had a zeta potential of − 37.8 mV. They enhanced cytotoxicity, antioxidant activity, and apoptosis compared to quercetin alone in MCF-7 and MDA-MB-231 cells. Docking simulations showed strong binding to the PD-1/PD-L1 checkpoint and Atg-13 HORMA protein receptors. Moreover, the molecular dynamics simulation revealed that the behavior of the PD-L1 intriguing insights into its structural dynamics, therefore, suggesting a stable phase where the complex is adjusting to the simulation environment. The present data confirmed that the stable formula of Que-SeNPs is cytotoxic, antioxidant, and has a potential activity to increase apoptosis in breast cancer cells, with the potential to inhibit PD-1/PD-L1 and Atg-13 proteins. Graphical Abstract Role of Que-SeNPs on breast cancer cells in vitro against two breast cancer cell lines MDA-MB-231 and MCF-7. Quercetin ; Antioxidant ; Selenium ; Chemistry ; Nanoparticle ; Breast cancer ; Cancer research ; Cancer ; Pharmacology ; Biochemistry ; Internal medicine ; Medicine ; Nanotechnology ; Materials science ; Organic chemistry Free Radicals and Antioxidants ; Curcumin's Biomedical Applications ; Moringa oleifera research and applications
Authors: Xiaoran Feng | Zhaobo Liu | Qin Ni | Bing Wang | Michael J. Ingleson | Kang Yuan
Source: Organic Letters (article, 2024-11-21)
Field: Chemistry — Organic Chemistry

<i>N</i>-Directed Two-Fold Bromoboration of Diynes Enables Access to Brominated BN-Embedded PAHs N-directed 2-fold bromoboration reactions of diynes with BBr3 have been developed, allowing the access to novel internally BN-doped polycyclic aromatic hydrocarbons from readily available precursors under mild conditions. Computational investigations identified three potential reaction mechanisms, each involving either BBr3 or [BBr4]−, with low activation barriers (ΔG‡ < 16 kcal/mol) for all pathways. The resulting brominated products can be further functionalized through various cross-coupling protocols, enabling the synthesis of highly luminescent emitters with quantum yield exceeding 90. Chemistry ; Fold (higher-order function) ; Combinatorial chemistry ; Medicinal chemistry ; Programming language ; Computer science Organoboron and organosilicon chemistry ; Boron Compounds in Chemistry ; Catalytic Cross-Coupling Reactions
Authors: Sandra Schüttner | Gregor M. Linden | E. Hoffmann | Philipp Holzmüller | Holger Frey
Source: Polymer Chemistry (article, 2024-12-06)
Field: Chemistry — Organic Chemistry

Glycidyl ethers from acyclic terpenes: a versatile toolbox for multifunctional poly(ethylene glycol)s with modification opportunities The synthesis of acyclic terpenyl glycidyl ethers (TGEs) and subsequent copolymerization with ethylene oxide (EO) via anionic ring-opening polymerization (AROP) are described. 1 H NMR in situ kinetics revealed the copolymer microstructures. Terpene ; Ethylene glycol ; Toolbox ; Ethylene ; Chemistry ; Organic chemistry ; Computer science ; Catalysis ; Programming language Synthetic Organic Chemistry Methods ; Phosphorus compounds and reactions ; Synthesis and properties of polymers
Authors: R.‐C. CHANG | Binru Han | Amira Ben Mabrouk | Urara Hasegawa
Source: Biomacromolecules (article, 2024-01-16)
Field: Materials Science — Biomaterials

Controlled Dissociation of Polymeric Micelles in Response to Oxidative Stress Nanoparticle-based drug carriers that can respond to oxidative stress in tumor tissue have attracted attention for site-specific drug release. Taking advantage of the characteristic microenvironment in tumors, one of the attractive directions in drug delivery research is to design drug carriers that release drugs upon oxidation. A strategy to incorporate oxidation-sensitive thioether motifs such as thiomorpholine acrylamide (TMAM) to drug carriers has been often used to achieve oxidation-induced dissociation, thereby targeted drug release. However, those delivery systems often suffer from a slow dissociation rate due to the intrinsic hydrophobicity of the thioether structures. In this study, we aimed to enhance the dissociation rate of TMAM-based micelles upon oxidation. The random copolymers of <i>N</i>-isopropylacrylamide and TMAM (P(NIPAM/TMAM)) were designed as an oxidation-sensitive segment that showed a fast response to oxidative stress. We first synthesized P(NIPAM/TMAM) copolymers with different NIPAM:TMAM molar ratios. Those copolymers exhibited low critical solution temperatures (LCSTs) below 32 °C, which shifted to higher temperatures after oxidation. The changes in LCSTs depend on the NIPAM:TMAM molar ratios. At the NIPAM:TMAM molar ratio of 82:18, the LCSTs before and after oxidation were 17 and 54 °C, respectively. We then prepared micelles from the diblock copolymers of poly(<i>N</i>-acryloyl morpholine) (PAM) and P(NIPAM/TMAM). The micelles showed an accelerated dissociation rate upon oxidation compared to the micelles without NIPAM units. Furthermore, the doxorubicin (Dox)-loaded micelles showed enhanced relative toxicity in human colorectal cancer (HT29) cells over human umbilical vein endothelial cells (HUVECs). Our novel strategy to design an oxidation-sensitive micellar core comprising a P(NIPAM/TMAM) segment can be used as a chemotherapeutic delivery system that responds to an oxidative tumor microenvironment in an appropriate time scale. Micelle ; Chemistry ; Dissociation (chemistry) ; Copolymer ; Oxidative stress ; Drug delivery ; Drug carrier ; Biophysics ; Poloxamer ; Combinatorial chemistry ; Organic chemistry ; Aqueous solution ; Polymer ; Biochemistry Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Cancer, Hypoxia, and Metabolism
Authors: Protap Biswas | N Livni | Debojit Paul | Lior Aram | Rifaat Safadi | Neta Varsano | Nadav Elad | Roman Kamyshinsky | Michal Leskes | Assaf Gal
Source: ACS Nano (article, 2024-12-06)
Field: Materials Science — Biomaterials

A pH-Dependent Phase Separation Drives Polyamine-Mediated Silicification from Undersaturated Solutions Silica polymerization from its soluble monomers is fundamental to many chemical processes. Although industrial methods require harsh conditions and concentrated precursors, biological silica precipitation occurs under ambient conditions from dilute solutions. The hallmark of biosilica is the presence of amine-rich organic macromolecules, but their functional role remains elusive. Here, we show a pH-dependent stimulatory effect of such polyamines on silica polymerization. Notably, this process is decoupled from the saturation degree, allowing the synthesis of polymer-silica hybrid products with controlled network morphologies from undersaturated solutions. The data suggest a two-step phase separation process. First, an associative liquid-liquid phase separation forms a micrometer-size dense phase. Second, silica undergoes a liquid-to-solid transition in the supersaturated condensates to form a bicontinuous silica structure. This study can inspire "soft chemistry" routes to design organic-inorganic nanomaterials with regulatory principles optimized by evolution. Polyamine ; Separation (statistics) ; Phase (matter) ; Chemistry ; Nanotechnology ; Materials science ; Biochemistry ; Computer science ; Organic chemistry Diatoms and Algae Research ; Chemical Synthesis and Characterization ; Microbial Fuel Cells and Bioremediation
Authors: Qingyin Li | Shuqing Li | Caimei Yu | Zhen Zhan | Guang Cheng | Bien Tan | Shijie Ren
Source: Communications Materials (article, 2024-11-20)
Field: Materials Science — Materials Chemistry

Hypercrosslinked polymer membranes via interfacial polymerization for organic dye separations Hypercrosslinked polymers (HCPs) have gained attention as promising materials for separation membranes due to their abundant porosity, low cost, ease of preparation, and excellent stability. Here, we demonstrate an interfacial-assisted polymerization approach to prepare continuous HCP membranes at room temperature. The method demonstrates versatility in constructing HCP membranes using various precursors, including small molecules and polymers. Specifically, the HCP membranes prepared using benzene as the monomer exhibit controllable thickness and a remarkable Brunauer-Emmett-Teller surface area of up to 855 m2 g−1. Leveraging physical size sieving and electrostatic interaction, the fabricated benzene-based membranes effectively reject small anionic dye molecules, such as Congo Red, Acid Fuchsin, and Methyl Orange, achieving rejection rates exceeding 93% while maintaining a high-water flux of up to 55 L m−2 h−1 bar−1. This study shows a versatile approach for the design of HCP membranes capable of efficiently separating mixtures containing small molecules. Hypercrosslinked polymers are promising materials for separation membranes due to their low cost and high porosity. Here, continuous hypercrosslinked polymer membranes are prepared using interfacial polymerization that effectively rejects small dye molecules with high water flux. Membrane ; Polymer ; Polymerization ; Chemical engineering ; Materials science ; Monomer ; Porosity ; Polymer chemistry ; Methyl orange ; Molecule ; Interfacial polymerization ; Chemistry ; Organic chemistry ; Composite material ; Catalysis Covalent Organic Framework Applications ; Membrane Separation and Gas Transport ; Membrane Separation Technologies
Authors: Anna Jurowska | Maciej Hodorowicz | Janusz Szklarzewicz
Source: Journal of Molecular Structure (article, 2024-07-02)
Field: Chemistry — Inorganic Chemistry

Alkali metals and ammonium as cations in dioxidovanadium(V) complexes with Schiff base ligands – structure, solubility and stability in biological media Alkali metals (Li, Na, K, Rb and Cs) and ammonium salts were used in synthesis of [VO2L]− complexes (where L = ONO-donating Schiff base ligands derived from 2-hydroxybenzhydrazide and 5‑bromo- or 5-chlorosalicylaldehyde). All 12 compounds were characterized by elemental analysis, IR and UV–Vis spectra. For six complexes, the X-ray single crystal structures were determined and confirmed the general formula of the compounds as M[VO2L] (M = alkali metal or ammonium). The geometry as well as cation to vanadium distance were determined and discussed. The complexes have very good solubility in water and their stability in this solvent as well as at pH = 2 and in DMEM-high glucose cell culture media was tested by UV–Vis spectroscopy. Chemistry ; Alkali metal ; Solubility ; Schiff base ; Ammonium ; Inorganic chemistry ; Vanadium ; Solvent ; Metal ; Elemental analysis ; Base (topology) ; Infrared spectroscopy ; Nuclear chemistry ; Crystallography ; Organic chemistry Vanadium and Halogenation Chemistry ; Metal complexes synthesis and properties ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Abeer T. Talha | T.M. Meaz | Amany M. El Nahrawy
Source: ECS Journal of Solid State Science and Technology (article, 2024-01-23)
Field: Materials Science — Materials Chemistry

Adjusting the Effects of Cr<sup>3+</sup> Doping on Structural, Dielectric, Antimicrobial Properties of Delafossite SrCuO<sub>2</sub> Nanoparticle SrCu (1− x ) Cr x O 2 nanoparticles (x = 0.0, 0.6, 1.2, and 1.8) nanoparticles were synthesized using sol-gel processing and subjected to calcination at 650 °C. The investigation delved into the influence of varying chromium concentrations on the structural, FTIR, electrical, and antimicrobial characteristics. The microstructure of the SrCu (1− x ) Cr x O 2 nanoparticles (x = 0.0, 0.6, 1.2, and 1.8) nanoparticles were analyzed through X-ray diffraction and transmission electron microscopy. Additionally, changes in chemical bonds were observed as the Cr content increased. The dielectric parameters exhibit an increase with higher Cr ratios. Additionally, there is a decrease in these parameters as the frequency rises, which could be attributed to the mobility of charged particles within the SrCu (1− x ) Cr x O 2 nanostructure. Our investigation underscores the significant role of Cr incorporation in influencing both the dielectric properties and antimicrobial activity of Cr, emphasizing its relevance for diverse applications. Delafossite ; Dielectric ; Doping ; Nanoparticle ; Antimicrobial ; Materials science ; Nanotechnology ; Condensed matter physics ; Chemistry ; Optoelectronics ; Physics ; Metallurgy ; Organic chemistry ; Oxide Dielectric properties of ceramics ; Ferroelectric and Piezoelectric Materials ; Copper-based nanomaterials and applications
Authors: Atul B. Nipate | M. Rajeswara Rao
Source: Chemistry - A European Journal (article, 2024-01-16)
Field: Materials Science — Polymers and Plastics

Pd‐Catalysed Direct Arylation of Distyrylbenzene: Strong Dual‐state Fluorescence and Electrochromism Distyrylbenzenes (DSBs) are well-known for their strong multicolour fluorescence. Fluorescence tuning of DSB via further functionalization/arylation, on the other hand, is uncommon. This paper reports a Pd-catalysed direct arylation approach for introducing different aryl groups onto fluorobenzene-containing DSB moiety (7) in high yields (67-72 %). The versatile methodology allows the substitution of neutral [tolyl (1)], electron-deficient [p-formyl benzene (2), p-acetyl benzene (3), p-nitrobenzene (4)] and electron-rich [carbazole (5), triphenylamine (6)] aryl groups. The electron-deficient aryls render mono-substitution, while the electron-rich counterparts promote di-substitution. The compounds (1-6) show blue, green, and yellow fluorescence in both the solution and solid states; the fluorescence quantum yields reach >98 % and the peak maxima span from 425 to 560 nm. The mono-carbazole DSB (5) exhibit white light emission (WLM) in polar solvents (acetone, DMF, CH<sub>3</sub>CN, DMSO and NMP) with very high fluorescence quantum yields (φ<sub>f</sub>) of 60-80 %. For WLM, such high efficiency (φ<sub>f</sub>) is somewhat uncommon. Moreover, visible-to-NIR reversible electrochromism is demonstrated by the TPA-integrated DSB (6). The colour of 6 changes from pristine light yellow to orange, and the absorption maxima shifts from 372 to 1500 nm when a positive potential of 1.0 V vs Ag/Ag<sup>+</sup> is applied. Moreover, the system shows high colouration efficiency in the NIR region with fast switching speeds for colouration and decolouration as fast as 0.98 s and 1.05 s. Triphenylamine ; Photochemistry ; Carbazole ; Fluorescence ; Chemistry ; Aryl ; Electrochromism ; Quantum efficiency ; Moiety ; Benzene ; Materials science ; Physical chemistry ; Stereochemistry ; Organic chemistry ; Alkyl Conducting polymers and applications ; Organic Light-Emitting Diodes Research ; Radical Photochemical Reactions
Authors: Livia Getzner | Yasmine Remili | Zakaria Ziani | Laure Vendier | Gábor Molnár | Saioa Cobo | Azzedine Bousseksou
Source: Inorganic Chemistry (article, 2024-11-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electron-Transfer-Induced Structural Modification in a Thermochromic Hofmann Clathrate Derivative This study explores a Hofmann-type clathrate, {Fe<sub>2</sub>(2,4-(OCH<sub>3</sub>)<sub>2</sub>-<i>p</i>bpy)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>[μ<sub>2</sub>-Pt(CN)<sub>4</sub>][μ<sub>3</sub>-Pt(CN)<sub>4</sub>]<sub>2</sub>·4H<sub>2</sub>O}, which exhibits a thermally activated electron transfer (ET) without spin crossover. Synthesized as microcrystalline powders and single crystals, this compound reveals significant structural changes upon variation of the temperature, including alterations in the iron coordination sphere due to the large movement of the bipyridinium ligand. These changes correlate with a thermochromic hysteretic transition from yellow to orange. Detailed characterizations using X-ray diffraction and IR spectroscopy indicate the involvement of nonbridging CN<sup>-</sup> moieties as electron donors and bipyridinium units as acceptors. This result deepens our understanding of ET in Hofmann-type clathrates. Chemistry ; Clathrate hydrate ; Thermochromism ; Derivative (finance) ; Electron transfer ; Crystallography ; Computational chemistry ; Photochemistry ; Organic chemistry ; Hydrate Magnetism in coordination complexes ; Porphyrin and Phthalocyanine Chemistry ; Lanthanide and Transition Metal Complexes
Authors: Kaiyuan Zhou | Jingjing Zhang | Geng Yuan | Pengfu Gao | Yi Xie | Jinqiao Dong | Yongjia Shang | Yong Cui | Wei Gong
Source: Chem & Bio Engineering (article, 2024-01-19)
Field: Chemistry — Inorganic Chemistry

Water-Resistant, Scalable, and Inexpensive Chiral Metal–Organic Framework Featuring Global Negative Electrostatic Potentials for Efficient Acetylene Separation Physical separation of acetylene (C<sub>2</sub>H<sub>2</sub>) from carbon dioxide (CO<sub>2</sub>) or ethylene (C<sub>2</sub>H<sub>4</sub>) on metal-organic frameworks (MOFs) is crucial for achieving high-purity feed gases with minimal energy penalty. However, such processes are exceptionally challenging due to their close physical properties and are also critically restricted by the high cost of large-scale MOF synthesis. Here, we demonstrate the readily scalable synthesis of a highly water-resistant chiral Cu-MOF (<b>TAMOF-1</b>) based on an inexpensive proteogenic amino acid derivative bearing rich N/O sites. Notably, the unique coordination in this ultramicroporous MOF has resulted in the generation of rare global negative electrostatic potentials, which greatly facilitate the electrostatic interactions with C<sub>2</sub>H<sub>2</sub> molecules, thus leading to their efficient separation from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> and C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> mixtures under ambient conditions. The separation efficiency and mechanism are unequivocally validated by breakthrough experiments and computational simulations. This work not only highlights the pivotal role of creating a negative electro-environment in confined spaces for boosting C<sub>2</sub>H<sub>2</sub> capture and separation but also opens up new ways of employing cheap amino acid derivatives bearing rich electro-negative N and O sites as organic linkers to constructing high-performing MOF materials for gas separation purposes. Acetylene ; Scalability ; Separation (statistics) ; Metal-organic framework ; Materials science ; Metal ; Chemical engineering ; Nanotechnology ; Computational chemistry ; Chemistry ; Organic chemistry ; Computer science ; Engineering ; Metallurgy ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Machine Learning in Materials Science
Authors: Sergey V. Sviyazov | Dudari B. Burueva | Nikita V. Chukanov | И. А. Разумов | Eduard Y. Chekmenev | Oleg G. Salnikov | Igor V. Koptyug
Source: The Journal of Physical Chemistry Letters (article, 2024-05-13)
Field: Chemistry — Spectroscopy

<sup>15</sup>N Hyperpolarization of Metronidazole Antibiotic in Aqueous Media Using Phase-Separated Signal Amplification by Reversible Exchange with Parahydrogen Metronidazole is a prospective hyperpolarized MRI contrast agent with potential hypoxia sensing utility for applications in cancer, stroke, neurodegenerative diseases, etc. We demonstrate a pilot procedure for production of ∼30 mM hyperpolarized [<sup>15</sup>N<sub>3</sub>]metronidazole in aqueous media by using a phase-separated SABRE-SHEATH hyperpolarization method, with nitrogen-15 polarization exceeding 2.2% on all three <sup>15</sup>N sites achieved in less than 2 min. The <sup>15</sup>N polarization T<sub>1</sub> of ∼12 min is reported for the <sup>15</sup>NO<sub>2</sub> group at the clinically relevant field of 1.4 T in the aqueous phase, demonstrating a remarkably long lifetime of the hyperpolarized state. The produced aqueous solution of [<sup>15</sup>N<sub>3</sub>]metronidazole that contained only ∼100 μM of residual Ir was deemed biocompatible via validation through the MTT colorimetric test for assessing cell metabolic activity using human embryotic kidney HEK293T cells. This low-cost and ultrafast hyperpolarization procedure represents a major advance for the production of a biocompatible HP [<sup>15</sup>N<sub>3</sub>]metronidazole (and potentially other hyperpolarized drugs) formulation for MRI sensing applications. Hyperpolarization (physics) ; Spin isomers of hydrogen ; Aqueous solution ; Chemistry ; Metronidazole ; Antibiotics ; Nuclear magnetic resonance spectroscopy ; Stereochemistry ; Physical chemistry ; Hydrogen ; Organic chemistry ; Biochemistry Advanced NMR Techniques and Applications ; Solid-state spectroscopy and crystallography ; Atomic and Subatomic Physics Research