jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shuchi Kukreja
Source: International Journal For Multidisciplinary Research (article, 2024-12-05)
Field: Chemistry — Organic Chemistry

1,4 Dihydropyridines: Synthetic Methodologies, Green Advances, and Expanding Pharmacological Horizons 1,4 Dihydropyridines (1,4 DHPs) constitute one of the most versatile and pharmacologically significant scaffolds in heterocyclic chemistry. Since their first synthesis by Hantzsch in 1882, they have evolved from synthetic intermediates to a cornerstone of medicinal chemistry, underpinning a wide array of bioactive compounds. This review provides a critical and comprehensive account of their structural features, structure–activity relationships, and classical as well as modern green synthetic methodologies, including multicomponent, solvent free, and nanocatalytic approaches. Particular emphasis is placed on microwave and ultrasound assisted eco friendly protocols that align with current sustainability goals. The diverse pharmacological profile of 1,4 DHPs—ranging from calcium channel blocking activity in antihypertensives to emerging anticancer, antimicrobial, neuroprotective, and antioxidant potentials—is systematically highlighted with representative examples. Together, these insights showcase 1,4 DHPs as a privileged motif at the intersection of synthetic innovation and drug discovery, with far reaching implications for future therapeutic development and green chemistry. DHPS ; Biochemical engineering ; Drug discovery ; Chemistry ; Nanotechnology ; Combinatorial chemistry ; Computational biology ; Engineering ; Materials science ; Biology ; Biochemistry Multicomponent Synthesis of Heterocycles ; Synthesis and biological activity ; Nanomaterials for catalytic reactions
Authors: Lê Thị Duyên | Lê Thị Phương Thảo | Bui Hoang Bac
Source: Green Processing and Synthesis (article, 2024-01-01)
Field: Materials Science — Biomaterials

Research on the adsorption of Co <sup>2+</sup> ions using halloysite clay and the ability to recover them by electrodeposition method Abstract In environmental research, along with discovering methods for adsorbing heavy metals, it is essential to comprehend the processes of desorption and recovery of these heavy metals from adsorbent materials and their reuse. In this study, halloysite (HAL) clay, obtained from the Thach Khoan, Vietnam, was utilized for the removal of Co 2+ ions from an aqueous solution, and the influence of different factors on the adsorption properties of Co 2+ was investigated. Optimal conditions determined were 0.8 g HAL mass per 50 mL of solution, initial Co 2+ concentration of 40 mg·L −1 , contact time of 80 min, pH 0 of 6.09, and room temperature of 30°C. Under these conditions, the adsorption efficiency and capacity obtained were 76.358 ± 0.981% and 1.909 ± 0.025 mg·g −1 , respectively. The adsorption process followed the Langmuir adsorption isotherms, with a maximum monolayer adsorption capacity of 3.10206 ± 0.13551 mg·g −1 , and exhibited a pseudo-second-order kinetic model. Desorption experiments were conducted using the electrochemical method with a deep eutectic solvent based on choline chloride and urea (reline). The results demonstrated that 94.11% of the Co metal could be recovered through electrodeposition after 5 h, using an applied current of 7.5 mA at 60°C. The HAL material was successfully regenerated following the desorption process. Adsorption ; Halloysite ; Desorption ; Deep eutectic solvent ; Chemistry ; Langmuir adsorption model ; Aqueous solution ; Metal ions in aqueous solution ; Monolayer ; Inorganic chemistry ; Nuclear chemistry ; Metal ; Materials science ; Eutectic system ; Alloy ; Organic chemistry ; Composite material Clay minerals and soil interactions ; Iron oxide chemistry and applications ; Adsorption and biosorption for pollutant removal
Authors: Brittany C. Haas | Ngiap‐Kie Lim | Janis Jermaks | Eden Gaster | Melody C. Guo | Thomas C. Malig | Jacob Werth | Haiming Zhang | F. Dean Toste | Francis Gosselin | Scott J. Miller | Matthew S. Sigman
Source: ChemRxiv (preprint, 2024-01-09)
Field: Chemistry — Organic Chemistry

Enantioselective Sulfonimidamide Acylation via a Cinchona Alkaloid-Catalyzed Desymmetrization: Scope, Data Science, and Mechanistic Investigation Methods to access chiral sulfur (VI) pharmacophores are of interest in medicinal and synthetic chemistry. We report the desymmetrization of unprotected sulfonimidamides via asymmetric acylation with a cinchona-phosphinate catalyst. The desired products are formed in excellent yield and enantioselectivity with no observed bis-acylation. A data science-driven approach to substrate scope evaluation was coupled to high throughput experimentation (HTE) to facilitate statistical modeling in order to inform mechanistic studies. Reaction kinetics, catalyst structural studies, and density functional theory (DFT) transition state analysis elucidated the turnover-limiting step to be the collapse of the tetrahedral intermediate and provided key insights into the catalyst-substrate structure-activity relationships responsible for the origin of enantioselectivity. This study offers a reliable method for accessing enantioenriched sulfonimidamides to propel their application as pharmacophores and serves as an example of the mechanistic insight that can be gleaned from integrating data science and traditional physical organic techniques. Desymmetrization ; Enantioselective synthesis ; Pharmacophore ; Chemistry ; Acylation ; Kinetic resolution ; Organocatalysis ; Catalysis ; Combinatorial chemistry ; Cinchona Alkaloids ; Phosphinate ; Computational chemistry ; Organic chemistry ; Stereochemistry Synthesis and Catalytic Reactions ; Asymmetric Hydrogenation and Catalysis ; Advanced Synthetic Organic Chemistry
Authors: Yuanyuan Hu | Dangli Gao | Xiangyu Zhang | Sining Yun
Source: arXiv (Cornell University) (preprint, 2024-12-29)
Field: Materials Science — Materials Chemistry

Controllable Thermo-Stimulated Luminescence in Niobate Persistent Phosphor by Constructing the Photovoltaic/Electrolytic Cell for Remote Intelligent Anti-Counterfeiting Persistent luminescence (PersL) carrying remote key information plays a crucial role for intelligent anti-counterfeiting applications. However, the weak PersL intensity accompanied by uncontrollability limits their practical application. Here we develop LiNbO3 (LNO):Pr,Bi phosphor with enhanced red PersL by trace doping Sm3+. The LNO:Pr,Bi,Sm phosphor exhibits quadruplet luminescence, including polychrome photoluminescence, PersL, and photo/thermo-stimulated luminescence (PSL/TSL). Particularly, the enhanced TSL can carry remote subjective information independent of the phosphor itself by controlling the temperature. A mechanism of afterglow enhancement is proposed based on constructing reversible photovoltaic cells and electrolytic cells by photothermal redox reactions using Bi3+ + VO and Bi3+/Pr3+ + VLi' ion pair. This study has sparked the exploration of designing the information storage PersL materials for more sophisticated remote intelligent anti-counterfeiting. Phosphor ; Materials science ; Photovoltaic system ; Luminescence ; Optoelectronics ; Electrolyte ; Nanotechnology ; Electrode ; Chemistry ; Electrical engineering ; Engineering Luminescence Properties of Advanced Materials ; Radiation Detection and Scintillator Technologies
Authors: Christophe Candolfi | Lucas Le Gars | Gabin Guélou | Pavan Kumar Ventrapati | Carmelo Prestipino | Thierry Guizouarn | Mathieu Pasturel | Petr Levinský | Pierric Lemoine | B. Raveau | Xingchen Shen | Oleg I. Lebedev | Quentin Berrod | Jean-Marc Zanotti | Emmanuel Guilmeau
Source: The Journal of Physical Chemistry C (article, 2024-08-08)
Field: Materials Science — Materials Chemistry

Influence of Cationic Ordering on the Lattice Dynamics of Monoclinic Cu<sub>5</sub>Sn<sub>2</sub>S<sub>7</sub> and Cubic Cu<sub>5</sub>Sn<sub>2</sub>S<sub>6.65</sub>Cl<sub>0.35</sub> Sulfides Cu2SnS3 is the parent compound of a series of phases in the Cu2+xSn1–xS3 section (0 ≤ x ≤ 0.15) of the ternary Cu–Sn–S phase diagram, the crystal structure of which can be controlled by varying the synthesis process and/or through a fine-tuning of the chemical composition. Despite being structurally close to the sphalerite structure, the thermal transport of these compounds is strongly dependent on the exact lattice symmetry and degree of atomic disorder. Here, we investigate the lattice dynamics of the monoclinic ordered Cu5Sn2S7 (space group C2) and cubic disordered Cu5Sn2S6.65Cl0.35 (space group F4̅3m) compounds by temperature-dependent powder inelastic neutron scattering (INS). In both cases, the INS spectra feature low-energy optical modes mostly weighed by the thermal motion of Cu atoms. The response of the INS spectra of Cu5Sn2S6.65Cl0.35 to temperature variations is indicative of quasi-harmonic behavior. Combined with analyses of the low-temperature specific heat, these findings show that the significant lowering of the lattice thermal conductivity in cubic Cu5Sn2S6.65Cl0.35 is due to a reduced phonon mean free path tied to the increased level of disorder in the unit cell. These results highlight how the stabilization of highly symmetric, yet strongly disordered crystal structures akin to those observed in high-entropy alloys, can lead to a drastic reduction in the heat transport, offering an effective approach to design high-performance thermoelectric sulfides. Monoclinic crystal system ; Crystal structure ; Materials science ; Ternary operation ; Crystallography ; Lattice (music) ; Condensed matter physics ; Phase diagram ; Chemistry ; Phase (matter) ; Physics Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Chalcogenide Semiconductor Thin Films
Authors: Mukhtar Effendi | Nugraheni Puspita Rini | Candra Kurniawan | Wahyu Tri Cahyanto | Wahyu Widanarto
Source: Eastern-European Journal of Enterprise Technologies (article, 2024-08-30)
Field: Materials Science — Materials Chemistry

Improvement the dielectric and impedance properties of Pb-free Bi0.5Na0.5TiO3-SrTiO3 piezoelectric materials modified by Fe2O3 The focus of this study is on the Fe2O3-doped Bi0.5Na0.5TiO3-SrTiO3 piezoelectric material. This is important to find ecologically acceptable piezoelectric materials. This research aims to obtain a lead-free piezoelectric material because lead is a material that is not environmentally friendly. An alternative solution is a piezoelectric material based on BNT-ST, which in this case is doped with Fe2O3 material. The study of Fe2O3 doped Bi0.5Na0.5TiO3-SrTiO3 piezoelectric material prepared by the solid-state reaction method was carried out to determine the optimum composition of the material formed. Doping variations are 0; 2.5; 5; 7.5; and 10 in mol %. The examinations were performed using X-ray diffraction (XRD) spectroscopy, a Scanning Electron Microscope (SEM), and an LCR meter. The Fe2O3 doped Bi0.5Na0.5TiO3-SrTiO3 produced a new compound in the form of FeBi5Ti3O15-Na2Ti3O7-SrTiO3 with the crystal structure of cubic, orthorhombic, and monoclinic, as well as the increasing crystalline size with the addition of dopants, exclude at 5 mol % and 7.5 mol %. FeBi5Ti3O15-Na2Ti3O7-SrTiO3 also produces varying particle sizes, which are between 0.88–8.23 µm. From the obtained data, the optimum composition of Fe2O3 doped Bi0.5Na0.5TiO3-SrTiO3 was the 2.5 mol % of Fe2O3 due to it having the highest dielectric constant (er ) and temperature Curie (Tc ), and also the lowest material impedance (Z) with the er of 12.037 at Tc of 400 °C and Z of 135 kΩ. The high piezoelectricity, which is indicated by the high value of the dielectric constant and Curie temperature, is possible due to the presence of a greater number of sodium ions in the Na2Ti3O7 phase. Sodium ions are ions with good electrical storage capabilities. The increase in dielectric constant in the BNT-ST piezoelectric obtained by the addition of Fe2O3 shows that this material can be used as a substitute for lead-based piezoelectric materials so that it is secure for the environment. The piezoelectric material of BNT-ST doped with Fe2O3 earned from this research can be applied to obtain electricity with a optimal value when given mechanical pressure Piezoelectricity ; Materials science ; Dielectric ; Electrical impedance ; Composite material ; Optoelectronics ; Electrical engineering ; Engineering Ferroelectric and Piezoelectric Materials
Authors: Anahita Mortazavi‐Manesh | Nasser Safari | Mojtaba Golbodaqi | S. Latifi | Mohammad Fatehi Haghighat | Farzad Bahadoran
Source: Royal Society Open Science (article, 2024-09-01)
Field: Chemistry — Inorganic Chemistry

Comparative study of the catalytic performance of physically mixed and sequentially utilized γ-alumina and zeolite in methanol-to-propylene reactions This study aimed to investigate the catalytic performance of H-ZSM-5 zeolite compared with physically mixed and sequentially used synthesized γ-alumina and zeolite in the methanol-to-propylene (MTP) reaction. A facile, green and cost-effective method was first applied to prepare a mesoporous γ-Al<sub>2</sub>O<sub>3</sub> support using a combination of sol-gel and hydrothermal methods via a few consecutive steps. This process was carried out using aluminium nitrate and polyethylene glycol with different molecular weights as non-ionic surfactants. X-ray diffraction, transmission electon microscopy, thermogravimetric analysis, ammonia temperature programmed desorption and Brunauer-Emmett-Teller analysis were then used to characterize the prepared γ-Al<sub>2</sub>O<sub>3</sub> catalyst. Afterwards, the catalytic activity of the commercial H-ZSM-5 zeolite (Si/Al = 200) and the effect of the presence of the γ-alumina physically mixed and unmixed with the zeolite were also researched in the MTP reaction. Accordingly, methanol conversion and product selectivity were monitored via gas chromatography. The physically mixed mesoporous γ-Al<sub>2</sub>O<sub>3</sub> and H-ZSM-5 zeolite exhibited the highest catalytic activity in terms of both conversion and selectivity at 400°C. To our knowledge, this research represents the first documented use of γ-alumina and zeolite simultaneously as catalysts in the MTP reaction within the English literature. It is hoped that this work will offer valuable insights for advancing the development of catalytic systems in methanol conversion processes. Zeolite ; Catalysis ; Methanol ; Chemical engineering ; Materials science ; Chemistry ; Organic chemistry ; Engineering Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis ; Catalysis and Hydrodesulfurization Studies
Authors: Ce Shi | Zhixin Jia | Zengtao Ji | Xinting Yang | Xia Sun | Yemin Guo
Source:  (preprint, 2024-03-11)
Field: Materials Science — Materials Chemistry

Preparation of low viscosity waterborne anti-counterfeiting ink based on dual luminescent nanohybrids of lanthanide-nitrogen co-modified GQDs and bacterial cellulose nanocrystals Bacterial cellulose nanocrystals (BCNC) have gained significant study attention in the field of anti-counterfeiting due to the advantages in viscosity regulation, suspension stability, printability, and shear-thinning behavior. In this study, a novel nanohybrids was developed by electrostatically self-assembling BCNC with lanthanide (Er, Yb)-nitrogen (N) co-modified graphene quantum dots (GQDs). These nanohybrids were then incorporated into a polyvinyl alcohol (PVA) waterborne ink, leveraging the unique rheological properties of BCNC to form a stable network architecture. The incorporation resulted in improved thixotropic behavior and increased yield stress of the PVA waterborne ink, thereby enabling a more systematic approach to the design and successful synthesis of a waterborne fluorescent ink used for dual anticounterfeiting purposes. The synthesized Er/Yb/N-GQDs demonstrated both photoluminescence (blue light) and upconversion luminescence (green light) characteristics upon excitation at wavelengths of 370 nm and 980 nm, respectively. Therefore, effective information extraction necessitated the concurrent use of two distinct excitation light sources, thereby heightened the difficulty of illicit counterfeiting. This study introduced a waterborne fluorescent dual anticounterfeiting ink with significant potential for applications in information security and identity authentication. Moreover, it served as a valuable reference for its adoption in the printing and packaging industries. Materials science ; Luminescence ; Graphene ; Nanotechnology ; Polyvinyl alcohol ; Photoluminescence ; Nanocrystal ; Chemical engineering ; Composite material ; Optoelectronics Carbon and Quantum Dots Applications ; Advanced Cellulose Research Studies
Authors: Sawsan M Alomari | Wjdan Salim Qasim | Jalal MZ Jalal | Ali M Saadi
Source: International Journal of Multidisciplinary Comprehensive Research (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

The Inhibitory Effect of Nanoparticles on Antibiotic-Resistant Bacteria: A Review The misuse of antibiotics is a major problem that has caused genetic changes in bacteria, and increased their resistance to antibiotics, so interest has increased in using alternatives to antibiotics such as nanoparticles. The main mechanisms of resistance to various antibiotics by bacteria include horizontal gene transfer, transformation and conjugation, in addition to the mechanism of antibiotic-resistant efflux pumps that increase the ability of bacteria to adapt and survive after stress. Bacteria also resist antibiotics through the formation of biofilms and various chemical and biological pathways. Nanoparticles have been used as antimicrobials such as gold, silver and titanium dioxide nanoparticles. Nanoparticles have the ability to enhance antibiotics to reduce the minimum inhibitory concentration required to inhibit bacterial growth, making antibiotics more effective, or they act as strong antimicrobials in themselves. Our research focused on analyzing the antimicrobial mechanisms of nanoparticles on general bacteria and antibiotic-resistant bacteria and comparing the value of nanoparticles prepared by different functional techniques. Considering the potential use of antibacterial agents in medicine, the toxic effect of antibacterial agents on eukaryotic mammalian cells is of great importance, and this review summarizes the available experiments based on the cytotoxicity data of various antibacterial nanoparticles. In conclusion, since each type of nano antibacterial agents has a diverse and reliable system for its antibacterial ability, and their shape, size, or surface functional groups can be designed and modified at the molecular level, they have currently been tested for broad-spectrum antibacterial agents and against various types of bacterial applications. This flexibility means that based on the scope of the manufacturing method and its anti-infective performance, we can develop a good nano antibacterial agent that is more in line with the requirements of the pharmaceutical market development; the final application to the patient in the clinic. Bacteria ; Antibiotics ; Inhibitory postsynaptic potential ; Microbiology ; Antibiotic resistance ; Chemistry ; Biology ; Medicine ; Internal medicine Nanoparticles: synthesis and applications ; Pharmacology and Nanomedicine Research ; Advanced Nanomaterials in Catalysis
Authors: Susilawati Susilawati | Aris Doyan | Muhammad Taufik | Syarful Annam | Muhammad Ikhsan | Nuraini Rachma Ardianti
Source: Jurnal Penelitian Pendidikan IPA (review, 2024-11-25)
Field: Materials Science — Materials Chemistry

Electrical and Magnetic Properties of Strontium Ferrite and Barium M-Hexaferrite Based on Natural Iron Sand as Power Plant Generator Materials: A Systematic Review Research in the field of materials, especially the magnetic properties of materials, continues to increase. This research aims to identify and analyze research trends of electrical and magnetic properties of strontium ferrite and barium m-hexaferrite based on natural iron sand as power plant generator materials. This research method is descriptive and analytical. The data used in this research was obtained from documents indexed by Google Scholar from 2015-2024 using Publish or Perish and Dimension.ai. Research procedures use PRISMA guidelines. The data identified and analyzed are the type of publication, publication source, and the title of research electrical and magnetic properties of strontium ferrite and barium m-hexaferrite based on natural iron sand as power plant generator materials that is widely cited. The data analysis method uses bibliometric analysis assisted by VOS viewer software. The results of the analysis show that research trend indexed by Google Scholar from 2015 to 2024 has experienced ups and down. There are many documents in the form of articles, chapters, preprints, monograph and edited books that discuss research about electrical and magnetic properties of strontium ferrite and barium m-hexaferrite based on natural iron sand. Key words that are often used in research about it are synthesis, characterization, permanent magnet, etc. Strontium ; Ferrite (magnet) ; Materials science ; Barium ; Barium ferrite ; Generator (circuit theory) ; Metallurgy ; Power (physics) ; Composite material ; Chemistry ; Physics Magnetic Properties and Synthesis of Ferrites
Authors: Weichen Zhang
Source: Institutional Repositories DataBase (IRDB) (article, 2024-09-01)
Field: Materials Science — Materials Chemistry

Fukushima Revitalizics: Performance Evaluation of High-powered Battery for Nuclear Decommissioning and Heat Storage Nuclear decommissioning ; Battery (electricity) ; Decay heat ; Scram ; Nuclear power Graphite, nuclear technology, radiation studies ; Chemical Synthesis and Characterization ; Nuclear materials and radiation effects
Authors: Khairiah M. Al-Qahtani | Samah Saleh Alnasi | Dina Ahmed Al-masri | Lama Hani Dhaher
Source: World Applied Sciences Journal (article, 2024-08-10)
Field: Materials Science — Materials Chemistry

Green Synthesis of Copper Oxide Nanoparticles Using Spinacia oleracea Leaf for Wastewater Treatment: Effect Of pH and Concentration Nanotechnology is defined as the manipulation and control of matter at the nanoscale using scientific knowledge from various industrial and biomedical applications. The nanoparticle generally refers to the individual molecules that make up the bulk of the nanomaterial. Nanoparticles are particles with a size of one to 100 nanometers (nm) and made up of three layers since they are complex molecules. This study was carried out to prepare Copper Oxide nanoparticles (CuO NPs) using the green synthesis method which is an environmentally friendly technique without using hazardous chemicals. Hazardous chemical substances lead to pollution of water which causes environmental contamination, so we used CuO NPs that were synthesized by using green method to purify the wastewater containing lead ion. Hence, the extracts of Spinacia oleracea were used as reducing agent. The synthesized CuO NPs nanoparticles were characterized using scanning electron microscopy (SEM), Energy Dispersive X-ray Analysis (EDX), Ultraviolet–Visible spectroscopy (UV–Vis), Fourier transform infrared spectrometry (FTIR). The two parameters of experiments, the metal ion concentration and pH were studied for the removal of Pb (II) from wastewater using the CuO NPs as nanosorbent. The synthesizing of CuO NPs was successful, the color change of the mixture of copper sulphate and spinach extract from light green to dark green indicates the succession of the synthesizing CuO NPs. The EDX and UV-Vis spectroscopy also indicated the succession of synthesizing of CuO NPs. The optimum removal efficiency of Pb (II) was found 78% and 85% for pH 7.01 and concentration of 0.002M, respectively. These factors showed that CuO NPs are good nanosorbents to purify wastewater contaminated with lead ions. Spinacia ; Copper ; Nanoparticle ; Chemistry ; Wastewater ; Nuclear chemistry ; Copper oxide ; Sewage treatment ; Materials science ; Environmental engineering ; Nanotechnology ; Environmental science ; Biochemistry ; Organic chemistry Copper-based nanomaterials and applications ; Nanoparticles: synthesis and applications