jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shilpa S Kurup | Rakesh Kumar Jat
Source: Journal of Drug Delivery and Therapeutics (article, 2023-10-15)
Field: Chemistry — Organic Chemistry

Synthesis, Characterisation, Invitro anticancer activity of Diazo Derivatives of 1,3,4-oxadiazole This study delves into the comprehensive evaluation of newly synthesized Diazo Derivatives of 1,3,4-oxadiazole compounds, including Aniline, Ortho nitro aniline, Meta nitro aniline, Ortho anisidine, Meta anisidine, 3-chloro aniline, 2,6-dimethyl aniline, 2,5- dicloro aniline, and 3,5- dichloro aniline, aiming to unravel their potential as antioxidants and anticancer agents. The assessment of antioxidant potential involved the utilization of the DPPH (2,2-diphenyl-1-picrylhydrazyl) assay. The cytotoxic activity of these compounds was assessed against MCF-7 breast cancer cells using the MTT assay. Morphological assessments using acridine orange/ethidium bromide (AO/EB) staining. Results were expressed as IC50 values, with 2,5-dichloro aniline and 3-chloro aniline demonstrating remarkable antioxidant activity, each with an IC50 value of 62.5 µg/mL. Several other compounds also exhibited significant antioxidant properties, albeit with slightly higher IC50 values. Notably, Ortho anisidine and Ortho nitro aniline displayed no substantial inhibitory activity against oxidative stress. The cytotoxic activity of these compounds was assessed against MCF-7 breast cancer cells using the MTT assay, with IC50 values ranging from 62.5 to 1000 µg/mL. 2,5-dichloro aniline and 3-chloro aniline emerged as potent inhibitors, both achieving an IC50 value of 62.5 µg/mL. Aniline, Meta nitro aniline, Meta anisidine, 2,6-dimethyl aniline, and 3,5-dichloro aniline exhibited intermediate inhibitory activity, while Ortho anisidine and Ortho nitro aniline showed no significant inhibition. Morphological assessments using acridine orange/ethidium bromide (AO/EB) staining revealed diverse cellular responses induced by 2,5-dichloro aniline and 3-chloro aniline treatment. These changes align with well-established apoptotic processes observed in therapeutically treated cell lines. This research contributes valuable insights into the antioxidant and anticancer potential of Diazo Derivatives of 1,3,4-oxadiazole compounds, with 2,5-dichloro aniline and 3-chloro aniline emerging as promising candidates for further exploration in combatting oxidative stress and breast cancer. These findings underscore the importance of antioxidants in cancer prevention and the potential therapeutic applications of these compounds.&#x0D; Keywords: Diazo Derivatives of 1,3,4-oxadiazole, 2,5-dichloro aniline, 3-chloro aniline, DPPH, MTT assay, MCF-7 Aniline ; Acridine orange ; Ethidium bromide ; Chemistry ; MTT assay ; IC50 ; DPPH ; Aniline Compounds ; Antioxidant ; Organic chemistry ; Biochemistry ; In vitro Synthesis and biological activity ; Synthesis and Biological Evaluation ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Maëva Pichon | Dawid Drelinkiewicz | David Lozano | Ruxandra Moraru | Laura Hayward | Megan Jones | Michael A. McCoy | Samuel Allstrum-Graves | Dimitrios-Ilias Balourdas | Andreas C. Joerger | Richard J. Whitby | Stephen M. Goldup | Neil J. Wells | G. John Langley | Julie Herniman | Matthias G. J. Baud
Source: ChemRxiv (preprint, 2023-02-12)
Field: Chemistry — Organic Chemistry

2-Sulfonylpyrimidines: Reactivity Adjustable Agents for Cysteine Arylation Protein arylation has attracted much attention for developing new classes of bioconjugates with improved properties. Here, we have systematically evaluated 2-sulfonylpyrimidines as covalent warheads for the mild, chemoselective and metal free cysteine S-arylation. 2-sulfonylpyrimidines react rapidly with cysteine, resulting in stable S-heteroarylated adducts at neutral pH. Fine tuning the heterocyclic core and exocyclic leaving group allowed predictable SNAr reactivity with model tripeptide glutathione in vitro, covering 9 orders of magnitude. We achieved extremely fast chemo- and regio- specific arylation of a mutant p53 protein, and confirmed arylation sites by protein X-ray crystallography. Hence, we report the first example of a protein site specifically S-arylated with iodo-aromatic motifs. Overall, this study provides the most comprehensive structure-reactivity relationship to date on heteroaryl sulfones, and highlights 2-sulfonylpyrimidine as a synthetically tractable and protein compatible covalent motif for targeting reactive cysteines, expanding the arsenal of tunable warheads for modern covalent ligand discovery. Cysteine ; Chemistry ; Tripeptide ; Covalent bond ; Reactivity (psychology) ; Combinatorial chemistry ; Glutathione ; Adduct ; Nucleophilic aromatic substitution ; Stereochemistry ; Biochemistry ; Organic chemistry ; Enzyme ; Amino acid ; Nucleophilic substitution Click Chemistry and Applications ; Peptidase Inhibition and Analysis ; Chemical Synthesis and Analysis
Authors: Eugenio Fasci | Vittorio D’Agostino | M. A. Khan | Stefania Gravina | Giuseppe Porzio | L. Gianfrani | A. Castrillo
Source: Journal of Physics Conference Series (article, 2023-01-01)
Field: Chemistry — Spectroscopy

Comb-assisted cavity ring-down spectroscopy for ultra-sensitive traceable measurements of water vapour in ultra-high purity gases Abstract We report on the development of a comb-assisted cavity ring-down spectrometer for trace water mole fraction determinations in high purity gases. By tuning the laser light in coincidence with a H 2 O absorption line at 1.3946 µ m, we were able to determine sub-ppm relative concentrations of water vapour in N 2 with a sub-percent statistical uncertainty. The sensitivity of the spectrometer was carefully assessed, yielding a detection limit of about 2 nmol/mol. Cavity ring-down spectroscopy ; Water vapor ; Spectrometer ; Analytical Chemistry (journal) ; Detection limit ; Spectroscopy ; Mole fraction ; Chemistry ; Absorption spectroscopy ; Mass spectrometry ; Parts-per notation ; Materials science ; Optics ; Chromatography ; Physics Spectroscopy and Laser Applications ; Atomic and Subatomic Physics Research ; Atmospheric Ozone and Climate
Authors: Piotr Pander | Andrey V. Zaytsev | Larissa Gomes Franca | Fernando B. Dias | Valery N. Kozhevnikov
Source: ChemRxiv (preprint, 2023-08-01)
Field: Chemistry — Organic Chemistry

Unusual excimer/dimer behaviour of a highly soluble C,N platinum(II) complex with a spiro-fluorene motif In this work we introduce a spiro-fluorene unit into a phenylpyridine (CN) type ligand as a simple way to de-planarise the structure and increase solubility of the final platinum(II) complex. Using a spirofluorene unit, orthogonal to the main coordination plane of the complex, reduces intermolecular interactions, leading to increased solubility but without significantly affecting complex ability to form Pt···Pt dimers and excimers. This approach is highly important in the design of platinum(II) complexes, which often suffer from low solubility due to their mainly planar structure, and offers an alternative to the use of bulky alkyl groups. The non-planar structure is also beneficial for vacuum-deposition techniques as it lowers the sublimation temperature. Importantly, there are no sp3 hybridised carbon atoms in the cyclometallating ligand that contain hydrogens, the undesired feature that is associated with the low stability of the materials in OLEDs. The complex displays high solubility in toluene ~10 mg mL-1 at room temperature, which allows producing solution-processed OLEDs in a wide range of doping concentrations, 5-100% and EQE up to 5.9% with a maximum luminance of 7 400 cd m-2. Concurrently, we have also produced vacuum-deposited OLEDs, which display luminance up to 32 500 cd m-2 and maximum EQE of 11.8 %. Fluorene ; Solubility ; Platinum ; Dimer ; Chemistry ; Ligand (biochemistry) ; Excimer ; Intermolecular force ; OLED ; Crystallography ; Photochemistry ; Materials science ; Physical chemistry ; Molecule ; Organic chemistry ; Fluorescence ; Polymer Organometallic Complex Synthesis and Catalysis ; Organic Light-Emitting Diodes Research ; Molecular Junctions and Nanostructures
Authors: Bhavisha Hingu | Sandhya Sake | Himanshu Gupta | Nishant Vyas | Kapil Singh Thakur | Mansee Thakur
Source: Plant Science Today (article, 2023-06-28)
Field: Materials Science — Biomaterials

Study on the Phytochemical, Antioxidant and In Vitro Anticancer activity on root extract of Simarouba glauca DC Plant made medicine plays main role in drug formulation and synthesis with moderate or no side effects. Simarouba glauca is exotic to India and known for its phytomedicine property belonging to the Simaroubaceae family prominent for its leaves arrangement and is called “Lakshmi taru” or “Paradise tree”. The goal of this study was to present the preliminary phytochemicals, antioxidants, and cytotoxicity mechanism of S. glauca root extracts in terms of apoptosis in cell cycle. Phytochemical, qualitative, and antioxidant assay analyses were performed with the standard protocol using HPTLC and cytotoxicity studies were analysed using a flow-cytometer. The Phytochemical screening revealed the presence of saponins, flavonoids, steroids, and triterpenoids. Furthermore, the extracts demonstrated potent antioxidant activity and could serve as a lead source of natural antioxidants. In a concentration-dependent manner, anticancer study demonstrated cytotoxicity against the A549 cell line by stopping the cells at the S-phase. The main investigation reveals the antiproliferative properties of S. glauca methanolic root extract. Identification of cytotoxic compounds and their mode of action require further in-depth research. The outcome of our investigation offers compelling evidence that S. glauca methanolic root extract can be used as an effective ethnomedicinal agent with the ability to treat human disorders. Phytochemical ; Traditional medicine ; Cytotoxicity ; Antioxidant ; Chemistry ; Phytomedicine ; Biology ; In vitro ; Pharmacology ; Biochemistry ; Medicine Phytochemistry and Bioactive Compounds ; Phytochemical compounds biological activities ; Natural product bioactivities and synthesis
Authors: Federica Poggialini | Chiara Vagaggini | Annalaura Brai | Claudia Pasqualini | Anna Carbone | Francesca Musumeci | Silvia Schenone | Elena Dreassi
Source: Pharmaceuticals (article, 2023-10-27)
Field: Chemistry — Organic Chemistry

Sweet Cherry Extract as Permeation Enhancer of Tyrosine Kinase Inhibitors: A Promising Prospective for Future Oral Anticancer Therapies Although patients would rather oral therapies to injections, the gastrointestinal tract's low permeability makes this method limiting for most compounds, including anticancer drugs. Due to their low bioavailability, oral antitumor therapies suffer from significant variability in pharmacokinetics and efficacy. The improvement of their pharmacokinetic profiles can be achieved by a new approach: the use of natural extracts enriched with polyphenolic compounds that act as intestinal permeability enhancers. Here, we propose a safe sweet cherry extract capable of enhancing oral absorption. The extract was characterized by the HPLC-UV/MS method, evaluated for in vitro antioxidant activity, safety on the Caco-2 cell line, and as a potential permeation enhancer. The sweet cherry extract showed a high antioxidant capacity (ABTS and DPPH assays were 211.74 and 48.65 µmol of Trolox equivalent/g dried extract, respectively), high content of polyphenols (8.44 mg of gallic acid per gram of dry extract), and anthocyanins (1.80 mg of cyanidin-3-glucoside equivalent per g of dry extract), reassuring safety profile (cell viability never lower than 98%), and a significant and fully reversible ability to alter the integrity of the Caco-2 monolayer (+81.5% of Lucifer yellow permeability after 2 h). Furthermore, the ability of the sweet cherry extract to improve the permeability (P<sub>app</sub>) and modify the efflux ratio (ER) of reference compounds (atenolol, propranolol, and dasatinib) and selected pyrazolo[3,4-<i>d</i>]pyrimidine derivatives was investigated. The obtained results show a significant increase in apparent permeability across the Caco-2 monolayer (tripled and quadrupled in most cases), and an interesting decrease in efflux ratio when compounds were co-incubated with sweet cherry extract. Bioavailability ; ABTS ; Chemistry ; Pharmacology ; Caco-2 ; DPPH ; Antioxidant ; Pharmacokinetics ; Biochemistry ; In vitro ; Medicine Quinazolinone synthesis and applications ; Synthesis and biological activity ; Garlic and Onion Studies
Authors: Alexander M. Bier | Michael Redel | Dirk W. Schubert
Source: Advances in Polymer Technology (article, 2023-03-23)
Field: Materials Science — Polymers and Plastics

Model to Predict Polymer Fibre Diameter during Melt Spinning Polymeric materials were evaluated with regard to their spinnability and respective fibre diameters. A modified single fibre spinning device was firstly used to derive a novel generalised model, utilising process parameters (die diameter, throughput, and stretching relevant take-up pressures) and material properties (zero shear viscosity) to predict the diameter of polymeric fibres on the basis of four different polymers. Further evaluation of the resulting power law dependence was conducted on filaments produced via conventional melt spinning and meltblown processes. Fibres produced on the pilot machines showed close agreement with the model equation with only the need to adjust an easily calculable device dependent factor. The outcome of the presented work is a user-friendly model of high practical relevance, which can be used to predict the diameter of amorphous and semicrystalline polymeric fibres, independent of material and machine used with sufficient accuracy for fast estimations. Materials science ; Spinning ; Composite material ; Melt spinning ; Polymer ; Crystallinity ; Amorphous solid ; Work (physics) ; Mechanical engineering Textile materials and evaluations ; Rheology and Fluid Dynamics Studies ; Additive Manufacturing and 3D Printing Technologies
Authors: Hao Nguyen | Grant J. Dixon | Florence Y. Dou | Shaun Gallagher | Stephen Gibbs | Dylan M. Ladd | Emanuele Marino | Justin C. Ondry | James P. Shanahan | Eugenia S. Vasileiadou | Stephen Barlow | Daniel R. Gamelin | David Ginger | David M. Jonas | Mercouri G. Kanatzidis | Seth R. Marder | Daniel Morton | Christopher B. Murray | Jonathan S. Owen | Dmitri V. Talapin | Michael F. Toney | Brandi M. Cossairt
Source: ChemRxiv (preprint, 2023-02-16)
Field: Materials Science — Materials Chemistry

Design rules for obtaining narrow luminescence from semiconductors made in solution Solution processed semiconductors are in demand for present and next-generation optoelectronic technologies ranging from displays to quantum light sources because of their scalability and ease of integration into devices with diverse form factors. One of the central requirements of semiconductors used in all these applications is a narrow photoluminescence (PL) linewidth. Narrow emission linewidths are needed to ensure both color and single-photon purity, raising the question of what design rules are needed to obtain narrow emission from semiconductors made in solution. In this review we first examine the requirements for colloidal emitters for a variety of applications including light-emitting diodes, photodetectors, lasers, and quantum information science. Next, we will delve into the sources of spectral broadening, including homogeneous broadening from dynamical broadening mechanisms in single-particle spectra, heterogeneous broadening from static structural differences in ensemble spectra, and spectral diffusion. Then, we compare the current state of the art in terms of emission linewidth for a variety of colloidal materials including II-VI quantum dots (QDs) and nanoplatelets, III-V QDs, alloyed QDs, metal-halide perovskites including nanocrystals and 2D structures, doped nanocrystals, and, finally, as a point of comparison, organic molecules. We end with some conclusions and connections, with an outline of promising paths forward. Laser linewidth ; Photoluminescence ; Optoelectronics ; Materials science ; Quantum dot ; Semiconductor ; Nanocrystal ; Diode ; Nanotechnology ; Laser ; Optics ; Physics Quantum Dots Synthesis And Properties ; Perovskite Materials and Applications ; Chalcogenide Semiconductor Thin Films
Authors: Saman Anwar | Sidra Altaf | Muhammad Saif Ur Rehman Babar | Bilal Aslam | Humaira Muzaffar | Arslan Iftikhar
Source:  (article, 2023-05-05)
Field: Materials Science — Materials Chemistry

Camellia-sinensis- and Cocos-nucifera-Derived Gold Nanoparticles for Treatment of Infections Caused by Antibiotic-Resistant Staphylococcus aureus The development of bacterial resistance toward existing antibiotics is a universal problem for human and animal health as well as for food security. In an attempt to overcome this problem, nanotechnology has contributed in the form of nanoformulations. However, these are associated with risks and drawbacks including environmental toxicity, cell injury, issues of high production cost and the scarcity of active ingredients. On the other hand, the green synthesis of nanoformulations via biological methods is a simple, innovative, ecofriendly, cost effective and advanced approach for the treatment of lethal infections caused by multidrug-resistant organisms such as staphylococcus aureus. About 30% of humans are asymptomatic carriers of S. aureus in their upper respiratory tract. Clinical diseases caused by S. aureus infections range from mild to severe and may be manifested in the form of pneumonia, osteomyelitis, skin and deep tissue infections. Here, we prepared plant-mediated gold nanoparticles from Camellia sinensis and Cocos nucifera. The green biocompatible nanoparticles were characterized by using UV-Visible spectroscopy (UV-Vis. spectroscopy), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), dynamic light scattering (DLS) and Fourier transform infrared spectroscopy (FTIR). Moreover, these green gold nanoparticles were investigated for their antimicrobial activity by checking their minimum inhibitory concentrations (MICs). We found that the newly developed bio-nanoparticles showed strong activity against the multidrug-resistant Staphylococcus aureus. Staphylococcus aureus ; Antimicrobial ; Microbiology ; Chemistry ; Materials science ; Medicine ; Nanotechnology ; Biology ; Bacteria Nanoparticles: synthesis and applications ; Medicinal Plants and Neuroprotection ; Essential Oils and Antimicrobial Activity
Authors: Helene Walch | Nada Bašić | Antonia Praetorius | Frank von der Kammer | Thilo Hofmann
Source: Environmental Science Nano (article, 2023-06-28)
Field: Materials Science — Materials Chemistry

A versatile test system to determine nanomaterial heteroagglomeration attachment efficiency Test system to determine nanomaterial heteroagglomeration attachment efficiency for fate models and risk assessment. Nanomaterials ; Test (biology) ; Computer science ; Nanotechnology ; Materials science ; Biology ; Ecology Nanoparticles: synthesis and applications ; Quantum Dots Synthesis And Properties ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Hafez Abdol | Leila Taghipour | Saber Raeghi | Farzad Arjomandi Rad | Hossein Soltanzadeh
Source: Gene Cell and Tissue (article, 2023-06-27)
Field: Materials Science — Materials Chemistry

Anti-proliferative Effect of Satureja sahandica Extraction by Co-administration of Layered Double Hydroxide (LDH) Nanosheets on HepG2 Hepatocellular Carcinoma Cell Line Background: Hepatocellular carcinoma (HCC) is a common solid tumor and the third cause of cancer death worldwide. Resistance to chemotherapeutic drugs is a serious challenge in the treatment of HCC. To address this challenge, therefore, attempts have been made to develop novel anticancer agents by using medicinal plants and producing novel natural chemical compounds. Objectives: This study aimed to investigate the anti-proliferative effect of the Satureja sahandica extraction combined with layered double hydroxide (LDH) nanosheets on the HepG2 HCC cell line. Methods: The anti-proliferative effects of S. sahandica extraction and LDH nanosheets on HCC cell line HepG2 were investigated by adopting the MTT method. The morphological alterations, migration, and apoptosis rates were also evaluated in the treated cancer cells. The apoptosis-related genes mRNA expressions (BAX and BCL2) were examined by performing real-time PCR. Results: According to the study results, the S. sahandica extraction treatments significantly decreased the viability and proliferation of the HCC cell line HepG2. However, the anticancer activity of the S. sahandica extraction and LDH nanosheet combination was significantly less than its monotherapy. Various morphological alterations and apoptosis rates increased in the cancer cells. However, the migration rate of the cancer cells significantly decreased. Furthermore, the expressions of BAX and BCL2 genes were upregulated and downregulated, respectively. Conclusions: In sum, the significant anti-proliferative activity of the S. sahandica extraction against the HCC cells was documented, which may have been due to the induction of apoptosis. However, LDH nanosheets decreased the anti-proliferative activity of S. sahandica extraction. Apoptosis ; Hepatocellular carcinoma ; Liver cancer ; Cancer cell ; Cancer ; Viability assay ; Cancer research ; Cell ; Cell culture ; Downregulation and upregulation ; Cell growth ; Chemistry ; Pharmacology ; Medicine ; Biology ; Internal medicine ; Biochemistry ; Gene Layered Double Hydroxides Synthesis and Applications ; Magnesium Oxide Properties and Applications ; Mesoporous Materials and Catalysis
Authors: Julijana Cvjetinovic | Sergei Perkov | Maxim A. Kurochkin | Igor S. Sergeev | Sergey V. German | Yekaterina D. Bedoshvili | Н. А. Давидович | Alexander M. Korsunsky | Dmitry A. Gorin
Source: Journal of Biomedical Photonics & Engineering (article, 2023-01-30)
Field: Materials Science — Biomaterials

Concentration Dependence of Optical Transmission and Extinction of Different Diatom Cultures Diatoms are unicellular microalgae enclosed in a hierarchically structured silica cell wall that play a significant role in maintaining the health of the planet’s ecosystem. As one of the main photosynthesizers, they are responsible for 20–25% of the world’s oxygen release and carbon fixation. In order to develop technologies for the efficient extraction of carbon dioxide, for example, using bioreactors that provide optimal conditions for the growth of diatoms, it is also necessary to effectively track the diatom lifecycle, as well as control parameters that affect their growth. Here we offer a simple device consisting of LED illumination with a central wavelength of 505 nm that allows to monitor changes in diatom concentrations. We examined marine centric and freshwater pennate diatom strains with different morphologies, sizes, and volumes and obtained a linear dependence of the measured transmission on the concentration. The results were compared with the spectrophotometric approach, which showed a higher inaccuracy with respect to the linear fit. We believe that such an optical setup can be used to solve the problems of continuous flow monitoring of algae both in bioreactors as well as in their natural environment. Diatom ; Algae ; Carbon fixation ; Wavelength ; Bioreactor ; Environmental science ; Extinction (optical mineralogy) ; Ecosystem ; Materials science ; Biological system ; Carbon dioxide ; Chemistry ; Biology ; Botany ; Optoelectronics ; Ecology ; Mineralogy Diatoms and Algae Research ; Algal biology and biofuel production ; Water Quality Monitoring and Analysis