jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Enoch Buba Badgal | Mubarak Muhammad Dahiru | Neksumi Musa
Source: Sciences of Phytochemistry (article, 2023-11-03)
Field: Chemistry — Analytical Chemistry

Phytochemical Profiling, Heavy Metals Composition, In Silico Aphrodisiac Potential, and ADMET Study of Gardenia erubescens This study aimed to explore the phytochemical profile, heavy metal composition, in silico aphrodisiac potential, and ADMET study of Gardenia erubescens due to its folkloric acclaimed aphrodisiac use. The phytochemicals were quantified gravimetrically while the identification of bioactive compounds was carried out using a combined Gas spectrophotometer-mass spectrophotometer (GC-MS). Heavy metals were quantified using an atomic absorption spectrophotometer while the aphrodisiac and ADMET studies were in silico. The result showed the presence of alkaloids (22.33% ±1.45), saponins (20.17% ±1.88), glycosides (0.55% ±0.03), and flavonoids (32.67% ±1.45), with the absence of steroids and terpenoids. GC-MS analysis identified 25 compounds with linoleic acid having the highest peak area (28.01%) next to palmitic acid (14.08%). Chromium, Cadmium, and Lead were present in concentrations of 0.145 ±0.03, 0.001 ±0.00, and 0.065 ±0.03 ppm respectively. Ethyl D-glucopyranoside had the least BA (-8) and Ki (1.35 µM) docked with human arginase II while Tyrosinol had the least BA (-6.2) and Ki (28.21 µM) docked with phosphodiesterase 5 though both were higher than Sildenafil citrate. All the top docked compounds were predicted to be neither substrates nor inhibitors of P-glycoproteins and cytochrome P450 enzymes without CNS permeability and hepatotoxicity. Conclusively, the present study supports the folkloric aphrodisiac application of Gardenia erubescens, and the heavy metals level was below the acceptable regulatory level, thus, might be safe for occasional use. Additionally, the identified compounds might be considered a novel source of therapeutics against erectile dysfunction. Aphrodisiac ; Chemistry ; Gardenia ; Phytochemical ; Traditional medicine ; Biochemistry ; Traditional Chinese medicine Heavy Metals in Plants ; Saffron Plant Research Studies ; Phytochemistry and Bioactivity Studies
Authors: Zicong Zhang | Lixun Zhu | Ziwei Deng | Jialin Zeng | Xu‐Min Cai | Zijie Qiu | Zheng Zhao | Ben Zhong Tang
Source: ChemRxiv (preprint, 2023-02-22)
Field: Materials Science — Materials Chemistry

Aggregation-induced emission biomaterials for anti-pathogen medical applications: detecting, imaging and killing Microbial pathogens, including bacteria, fungi, and viruses, greatly threaten the global public health. For pathogen infections, early diagnosis and precise treatment are essential to cut the mortality rate. The emergence of aggregationinduced emission (AIE) biomaterials provides an effective and promising tool for the theranostics of pathogen infections. In this review, the recent advances about AIE biomaterials for anti-pathogen theranostics are summarized. With the excellent sensitivity and photostability, AIE biomaterials have been widely applied for precise diagnosis of pathogens. Besides, different types of anti-pathogen methods based on AIE biomaterials will be presented in detail, including chemotherapy and phototherapy. Finally, the existing deficiencies and future development of AIE biomaterials for anti-pathogen applications will be discussed. Pathogen ; Nanotechnology ; Aggregation-induced emission ; Biology ; Microbiology ; Materials science Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Polydiacetylene-based materials and applications
Authors: Pedram Ebrahimnejad | Zahra Mohammadi | Amirhossein Babaei | Melika Ahmadi | Shervin Amirkhanloo | Kofi Asare‐Addo | Ali Nokhodchid
Source: Critical Reviews in Therapeutic Drug Carrier Systems (review, 2023-10-02)
Field: Materials Science — Biomaterials

Novel Strategies Using Sagacious Targeting for Site-Specific Drug Delivery in Breast Cancer Treatment: Clinical Potential and Applications For more than a decade, researchers have been working to achieve new strategies and smart targeting drug delivery techniques and technologies to treat breast cancer (BC). Nanotechnology presents a hopeful strategy for targeted drug delivery into the building of new therapeutics using the properties of nanomaterials. Nanoparticles are of high regard in the field of diagnosis and the treatment of cancer. The use of these nanoparticles as an encouraging approach in the treatment of various cancers has drawn the interest of researchers in recent years. In order to achieve the maximum therapeutic effectiveness in the treatment of BC, combination therapy has also been adopted, leading to minimal side effects and thus an enhancement in the quality of life for patients. This review article compares, discusses and criticizes the approaches to treat BC using novel design strategies and smart targeting of site-specific drug delivery systems. Drug delivery ; Medicine ; Targeted drug delivery ; Breast cancer ; Drug ; Cancer treatment ; Cancer therapy ; Cancer ; Nanotechnology ; Pharmacology ; Internal medicine Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; RNA Interference and Gene Delivery
Authors: ROBERTO ANGELO POSTELNICU
Source: FARMACIA (article, 2023-02-26)
Field: Materials Science — Biomaterials

PLGA-BISPHOSPHONATES CONJUGATED NANOPARTICLES: SYNTHESIS AND MORPHOLOGICAL CHARACTERIZATION The aim of our study was to develop a more advanced method of using some already existing drugs by synthesizing a multicomponent biopolymeric nanocomposite material, which would function as a local drug release system.Thus, we started from simple polylactic-co-glycolic acid (PLGA) nanoparticles, synthesized by the double emulsion method.Then we functionalized the surface of the obtained material with polydopamine (PDA) to which we bound bisphosphonates (used in the current medical practice for the treatment of osteosarcoma).This resulted in a composite material with improved properties compared to constituent materials.The synthesized polymer biocomposites were characterized by SEM (morphological aspects) and Diffusion Light Scattering (DLS) (granulometric dimensions, zeta potential).The chosen synthesis method is simple, inexpensive, with easily adjustable parameters.The theoretical studies carried out regarding the bisphosphonate-polydopamine interaction showed a better stability for the risedronate interaction complex which agrees with the experimental data obtained for it. RezumatScopul studiului nostru a fost acela de a dezvolta o metoda mai avansată de utilizare a unor medicamente deja existente, prin sinteza unui material nanocompozit biopolimeric multicomponent, care să funcționeze ca sistem de eliberare locală a medicamentului.Astfel, am pornit de la nanoparticule de acid poli lactic-co-glicolic (PLGA), sintetizate prin metoda dublei emulsii, apoi am funcționalizat suprafața materialului obținut cu polidopamină (PDA) de care am legat bifosfonați (utilizați în practica medicală curentă în tratarea osteosarcomului) obținând un material compozit cu proprietăți îmbunătățite comparativ cu materialele constitutive.Biocompozitele polimerice sintetizate au fost caracterizate prin SEM (aspecte morfologice) si DLS (dimensiuni granulometrice, potențial zeta).Metoda de sinteză aleasă este simplă, necostisitoare, cu parametrii ușor ajustabili.Studiile teoretice efectuate asupra interacției bifosfonat-polidopamină au indicat o mai bună stabilitate a complexului de interacție pentru risedronat, ceea ce concordă cu datele experimentale obținute pentru acesta. PLGA ; Characterization (materials science) ; Nanoparticle ; Conjugated system ; Materials science ; Nanotechnology ; Composite material ; Polymer Diatoms and Algae Research ; Adsorption, diffusion, and thermodynamic properties of materials ; Zeolite Catalysis and Synthesis
Authors: Ecem Gökoğlan | Damla Dere | İpek Bedir | Kemal Yelekçi | Dilek Telci | Ş. Güniz Küçükgüzel
Source: Journal of Molecular Structure (article, 2023-05-26)
Field: Chemistry — Organic Chemistry

Synthesis and investigation of cytotoxic effects of compounds derived from flurbiprofen Chemistry ; Cytotoxic T cell ; Doxorubicin ; Stereochemistry ; Viability assay ; Biochemistry ; Cell ; In vitro ; Chemotherapy ; Internal medicine Synthesis and biological activity ; Click Chemistry and Applications ; Peptidase Inhibition and Analysis
Authors: Govind Bahadur Dhami | Madhab Raj Bhatt | Shiv Raj Joshi | Bhawani Datt Joshi
Source: KMC Journal (article, 2023-09-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

First Principle Study on Structural, Electronic, Vibrational Properties and Molecular Docking Study of Tyramine First principle study of cyclic compound has a great interest because their products are very much useful in biological and clinical applications. In this work, Density functional theory (DFT) and Time dependent DFT calculations have been performed to study structural, electronic and vibrational properties of Tyramine (a neuromodulator) at B3LYP/3-21G level employing Gaussian 09 software. All the theoretical calculations were carried out to study the equilibrium geometries, vibrational spectra, molecular electrostatic potential (MEP), highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and UV-Vis spectra of the title compound. Also, the molecular docking analysis of Tyramine against two different proteins (Trace amine-associated receptor 1 and Dopamine D2 receptor) was carried out using AutoDock Vina. The scaled values of calculated vibrational frequencies were used for vibrational assignments on the basis of the potential energy distribution (PED). The structure activity relation has been interpreted by mapping MEP and Time dependent DFT method has been adopted to elucidate electronic properties. Graphical representation of frontier molecular orbital for both gaseous and solvent phase provides valuable insight into the nature of reactivity, stability and some of the structural and physical properties of the title molecule. Also, the calculated HOMO and LUMO energy values show that the charge transfer occurs within the molecule. Further, the title molecule shows good potentiality for binding against Trace amine-associated receptor 1 (1TQN) with binding affinity -6 kcal/mol The binding site of the Tyramine is found to be amine (NH2) group. HOMO/LUMO ; Chemistry ; Molecular orbital ; Computational chemistry ; Molecule ; Tyramine ; Density functional theory ; Physical chemistry ; Organic chemistry Nonlinear Optical Materials Research ; Inorganic and Organometallic Chemistry ; Organic Chemistry Cycloaddition Reactions
Authors: Zhihui Li | Xinyuan Zhao | Jiteng Ma | Xinfa Dong
Source: Catalysts (article, 2023-08-27)
Field: Materials Science — Materials Chemistry

RuNi/MMO Catalysts Derived from a NiAl-NO3-LDH Precursor for CO Selective Methanation in H2-Rich Gases CO selective methanation (CO-SMET) is a promising method for deep CO removal from H2-rich gases. In this study, a series of RuNi/MMO catalysts are prepared using the support MMO-N derived from NiAl-NO3-LDHs, which was prepared from NiAl-CO3-LDHs via an acid–alcohol ion-exchange reaction. The prepared catalysts were characterized by XRD, SEM, TEM, XPS, H2-TPR, CO-TPD, CO2-TPD, NH3-TPD, and TG. The RuNi/MMO-N catalyst demonstrated excellent CO-SMET performance, successfully reducing the CO to less than 10 ppm with a selectivity greater than 50% in a reaction temperature window ranging from 180 °C to 260 °C. Compared with similar catalysts derived from NiAl-CO3-LDHs, the exceptional CO-SMET capability of the RuNi/MMO-N catalyst is suggested to be associated with a more effective hydrogen spillover, a larger number of electron-rich Ni sites, and a higher density of acid sites on the surface of RuNi/MMO-N, which are conducive to CO adsorption and the inhibition of CO2 methanation. Methanation ; Nial ; Catalysis ; Hydrogen spillover ; Hydrogen ; Materials science ; Inorganic chemistry ; X-ray photoelectron spectroscopy ; Selectivity ; Adsorption ; Chemistry ; Chemical engineering ; Intermetallic ; Physical chemistry ; Metallurgy ; Organic chemistry Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Carbon dioxide utilization in catalysis
Authors: M Y Hasan
Source: Octahedron Drug Research (review, 2023-05-26)
Field: Chemistry — Analytical Chemistry

Spectrophotometric Investigations of Some Non-steroidal anti-inflammatory drugs (NSAIDs): A Brief Review Non-steroidal anti-inflammatory drugs (NSAIDs), one of the most commonly used classes of antipyretic, anti-inflammatory, antiplatelet, and analgesic agents, are a group of synthetic drugs that act as cyclooxygenase (COX) enzyme inhibitors, so inhibit the formation of PGs which are important mediators in pain & inflammation. They are classified into groups based on their chemical structure and selectivity: acetylated salicylates (aspirin), non-acetylated salicylates, propionic acids (naproxen, ibuprofen, acetic acids (diclofenac, indomethacin), enolic acids (meloxicam, piroxicam) anthranilic acids the polyketide class of natural products. Different analytical techniques have been reported for the determination of NSAIDs such as chromatographic methods, flow injection methods, spectrofluorometric methods, spectrophotometric methods, and capillary electrophoresis methods. Among these methods, spectrophotometric methods are sensitive and cost-effective for the analysis of various NSAIDs in pharmaceutical formulations as well as biological samples. This article reviews different spectrophotometric methods effective for the determination of some NSAIDs like aspirin, ibuprofen, diclofenac, and indomethacin. Medicine ; Pharmacology ; Anti-inflammatory ; Traditional medicine Analytical Methods in Pharmaceuticals ; Inflammatory mediators and NSAID effects ; Synthesis and biological activity
Authors: LETIAN JIN | HETING CHEN | Qi Ruan | RUI LIU | YIFENG FAN | XIUFANG XU | D. Wang | Jiahui Lü
Source: Biocell (article, 2023-01-01)
Field: Materials Science — Biomaterials

Mechanisms and applications of antitumor immunotherapy of responsive drug-loaded nanoparticles in breast cancer During the chemotherapy of tumors, the cytotoxic effect of drugs is vital to kill tumor cells, and the delivery of a chemotherapeutic agent is of great importance for optimal therapeutic effects. The high <i>in vivo</i> clearance rate and low delivery efficiency of conventional chemotherapeutic agents affect the therapeutic effect. In recent years, the responsive drug delivery nanosystem has received increasing concern owing to its excellent biocompatibility, stable delivery performance, and controlled drug release strategies. To lucidly explain the cytocidal and immunotherapeutic effects of such responsive nanosystems in breast cancer, this review discusses the various stimuli and responses of drug-loaded liposomal nanosystems. The light/magnetic response of drug-loaded bionic membranes nanosystems and the heat/magnetic response of drug-loaded iron oxide nanosystems are also elaborated. Their cancer cell-killing efficacy and antitumor immunotherapeutic effects are also scrutinized. Drug delivery ; Drug ; In vivo ; Pharmacology ; Medicine ; Targeted drug delivery ; Cancer ; Breast cancer ; Immunotherapy ; Chemotherapy ; Biocompatibility ; Cancer research ; Cancer cell ; Cytotoxicity ; Immune system ; Materials science ; Chemistry ; In vitro ; Nanotechnology ; Immunology ; Internal medicine ; Biology ; Biotechnology Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Min Zhang | Tian‐Song Deng | Zhiqun Cheng
Source: ChemistrySelect (article, 2023-09-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ethanol as a ‘Catalyst’ for Effective Phase Transfer and Self‐Assembly of Gold Nanorods Abstract Transferring gold nanorods (GNRs) from an aqueous solution to a non‐polar solvent enhances self‐assembly, promotes biocompatibility, and boosts surface‐enhanced Raman scattering (SERS). However, the strong attachment ability of toxic hexadecyltrimethylammonium bromide (CTAB) to GNRs presents a significant challenge in the fall of CTAB and combining with other substances for self‐assembly and SERS applications. We propose a solution that employs ethanol as a ‘catalyst’ to lower the critical micelle concentration (CMC) of CTAB and efficiently combine it with the organosilanes formed by the hydrolysis of mercaptopropyltrimethoxysilane (MPS) and octadecyltrimethoxysilane (ODS). The samples were characterized by UV‐vis‐NIR spectroscopy, transmission electron microscopy (TEM), and energy disperse spectroscopy (EDS) mapping. A detailed interpretation of the phase transfer processes was provided. The modified particles were effectively dispersed in toluene and formed thin films at the air‐water interface through self‐assembly, which was confirmed by scanning electron microscopy (SEM) and optical microscopy. These films can serve as a platform for SERS. Nanorod ; Chemical engineering ; Materials science ; Self-assembly ; Transmission electron microscopy ; Raman spectroscopy ; Scanning electron microscope ; Nanotechnology ; Catalysis ; Dynamic light scattering ; Aqueous solution ; High-resolution transmission electron microscopy ; Chemistry ; Organic chemistry ; Nanoparticle Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Pickering emulsions and particle stabilization
Authors: Am閘ie Aubert | Antoine Fayeulle | Muriel Vayssade | Muriel Billamboz | Estelle L閛nard
Source: Photocatalysis: research and potential (article, 2023-10-19)
Field: Materials Science — Materials Chemistry

New Trends on Photoswitchable Antibiotics: From Syntheses to Applications Antibiotics are excreted in the environment after being used to treat bacterial infections in human and animals. These residues are poorly eliminated by the actual wastewater treatment processes, affecting animal, human and environmental health. This has led to the emergence of antibiotic resistance in bacterial pathogens. To combat this problem, photopharmacology has emerged in the last decades. This approach, based on the coupling of a drug with a photochromic component, is a promising way to control antibiotic activity by light irradiation and consequently limit antibioresistance. Thus, this review summarizes the study on the effect of the irradiation light on the antimicrobial activity of coupling compounds. Antibiotics ; Antimicrobial ; Antibiotic resistance ; Human health ; Photochromism ; Chloramphenicol ; Bacteria ; Microbiology ; Chemistry ; Biology ; Nanotechnology ; Medicine ; Materials science ; Environmental health Photochromic and Fluorescence Chemistry ; Nanoplatforms for cancer theranostics ; Photoreceptor and optogenetics research
Authors: Jignasa V. Modh
Source: Journal of Advanced Scientific Research (review, 2023-02-28)
Field: Materials Science — Polymers and Plastics

SYNTHETIC PROTOCOLS AND SIGNIFICANCE OF HETEROCYCLIC FLUORESCENT - REINFORCING POLYMERS: A COMPREHENSIVE REVIEW Fluorescent High-Performance polymers are well known as high performance engineering thermoplastics because of their good thermal stability, chemical resistance and excellent mechanical properties. Polymers having S-triazine ring become a subject of interest because of enhanced toughness and low moisture absorption and commercially available high performance engineering plastic materials. However, the thermal stability of triazine ring makes it an attractive monomer for use in high temperature polymers. Synthesis of polymers containing chromophoric groups which are responsible for fluorescent property have significant applications in fields such as biosensors, clean energy technologies, explosive sensing, pH/temperature sensor, biological imaging, life science, material science, ultrasensitive molecular diagnosis and novel light - emitting nano devices. The aromatic azo group is being more interest because of the existence of cis-trans isomerism and its effect on the photochromic properties of the polymers. Therefore, polymers having azo group have potential use in a variety of applications. Fluorescent polymers can be developed with different methods; generally, there are two methods for preparation of fluorescent polymers. One of them is polymerization of a monomer having a fluorescent chromophore such as fluorescent compounds as initiator, fluorescent compounds as chain transfer agents, chemical bonding between fluorescent groups and polymers. The second way, chemical alteration of commercially available polymers having reactive groups by using fluorescent dyes or organic molecules. Polymer ; Fluorescence ; Materials science ; Polymerization ; Monomer ; Thermal stability ; Chromophore ; Nanotechnology ; Combinatorial chemistry ; Chemistry ; Chemical engineering ; Photochemistry ; Polymer chemistry ; Organic chemistry ; Composite material Synthesis and properties of polymers ; Synthesis and Characterization of Heterocyclic Compounds ; Advanced Polymer Synthesis and Characterization
Authors: Reshma Joy | Humaira Siddiqua | S. Chidananda Sharma | Manthra Raveendran | Franklin John | P. A. Hassan | Santosh L. Gawali | Sathees C. Raghavan | Jinu George
Source: ACS Omega (article, 2023-10-19)
Field: Materials Science — Biomaterials

Block Copolymer Encapsulation of Disarib, an Inhibitor of BCL2 for Improved Chemotherapeutic Potential A chemical inhibitor of antiapoptotic protein, BCL2, known as Disarib, suffers poor solubility in aqueous environments; thereby limiting its potential as a chemotherapeutic agent. To overcome this limitation and enhance the therapeutic efficacy of Disarib, we have employed the encapsulation of this small molecule inhibitor within P123 copolymer matrix. Micelles were synthesized using a thin-film hydration technique, and a comprehensive analysis was undertaken to evaluate the resulting micelle properties, including morphology, particle size, intermolecular interactions, encapsulation efficiency, and <i>in vitro</i> release characteristics. This assessment utilized various physicochemical techniques including UV spectroscopy, FTIR spectroscopy, dynamic light scattering (DLS), transmission electron microscopy (TEM), and small-angle X-ray scattering (SAXS). Disarib-loaded P123 micelle formulation denoted as P123D exhibited a well-defined particle size of approximately 29.2 nm spherical core-shell morphology. Our investigations revealed a notable encapsulation efficiency of 75%, and we observed a biphasic release pattern for the encapsulated Disarib. Furthermore, our cytotoxicity assessment of P123D micelles against mouse breast adenocarcinoma, mouse lymphoma, and human leukemic cell lines showed 40-45% increase in cytotoxicity compared with the administration of Disarib alone in the breast adenocarcinoma cell line. Enhancement in the cytotoxicity of P123D was found to be higher or limited; however, it is important to observe that the encapsulation method significantly enhanced the aqueous solubility of Disarib as it has the best solubility in dimethyl sulfoxide (DMSO) in the unencapsulated state. Encapsulation (networking) ; Copolymer ; Materials science ; Computer science ; Computer security ; Composite material Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Advancements in Transdermal Drug Delivery