jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Patimah Mega Syah Bahar Nur Siregar | Alfan Wijaya | Amri Amri | Juliana Putri Nduru | Nurlisa Hidayati | Aldes Lesbani | Risfidian Mohadi
Source: Science & Technology Indonesia (article, 2022-01-27)
Field: Materials Science — Materials Chemistry

Layered Double Hydroxide/C (C=Humic Acid;Hydrochar) As Adsorbents of Cr(VI) Layered double hydroxide (LDH) is known as a layered material that can be used as an adsorbent to remove pollutants from aqueous solutions. The use of layered double hydroxide as an adsorbent is not very effective due to its structure which is easily damaged so that it cannot be reused and its small surface area which results in a small adsorption capacity. This can be overcome by developing layered double hydroxide into a composite material. Modification of layered double hydroxide is done by using supporting materials in the form of humic acid and hydrochar. In this study the adsorbent was applied in the removal of Cr(VI) metal from aqueous solutions. The layered double hydroxide modification process was successfully carried out as seen from the XRD, FTIR, and BET analysis. XRD analysis shows the peaks that appear in Mg/Al-AH and Mg/Al-HC are peaks composed of their constituent materials, namely Mg/Al LDH, humic acid, and hydrochar. The vibrations that appear in Mg/Al-AH and Mg/Al-HC are vibrations originating from Mg/Al, humic acid, and hydrochar. The layered double hydroxide material composited with humic acid showed a surface area from 2.155 m2/g to 3.337 m2/g. The layered double hydroxide material composited with hydrochar showed a larger surface area than the Mg/Al LDH base material. The surface area increased 37 times, from 2.155 m2/g to 74.207 m2/g. The Mg/Al-AH composite showed the first adsorption ability of 89.064% and there was no significant decrease in the next cycle. The Mg/Al-HC composite showed adsorption ability in the first cycle which reached 97.079%, the ability to survive up to the fifth cycle with a final ability of 75.029%. Hydroxide ; Adsorption ; Humic acid ; Layered double hydroxides ; Aqueous solution ; Chemistry ; BET theory ; Fourier transform infrared spectroscopy ; Specific surface area ; Nuclear chemistry ; Metal hydroxide ; Materials science ; Chemical engineering ; Inorganic chemistry ; Organic chemistry ; Catalysis Layered Double Hydroxides Synthesis and Applications
Authors: Koki Ikemoto | T. Fukunaga | Hiroyuki Isobe
Source: Proceedings of the Japan Academy Series B (article, 2022-10-10)
Field: Chemistry — Organic Chemistry

Phenine design for nanocarbon molecules With the name "phenine" given to 1,3,5-trisubstituted benzene for a fundamental trigonal planar unit to weave nanometer-sized networks, a series of curved nanocarbon molecules have been designed and synthesized. Since the 6:-phenine units were amenable to modern biaryl coupling reactions mediated by transition metals, concise syntheses of >400:-nanocarbon molecules were readily achieved. In addition, the phenine design allowed for installing of heteroatoms and/or transition metals doped at specific positions of the large :-systems of the nanocarbon molecules. Fundamental tools were also developed to specify and describe the locations of defects/dopants, quantify pyramidalizations of trigonal panels and estimate molecular Gauss curvatures of the discrete surface. Unique features of phenine nanocarbons, such as stereoisomerism, entropy-driven molecular assembly and effects of dopants on electronic/magnetic characteristics, were revealed during the first half-decade of investigations. Heteroatom ; Molecule ; Dopant ; Nanotechnology ; Materials science ; Planar ; Benzene ; Fullerene ; Chemical physics ; Chemistry ; Doping ; Computer science ; Organic chemistry ; Ring (chemistry) Synthesis and Properties of Aromatic Compounds ; Fullerene Chemistry and Applications ; Advanced NMR Techniques and Applications
Authors: Yahaya Saadu Itas | Abdussalam Balarabe Suleiman | Aminu Shehu Yamusa | Razif Razali | Amina Mohammad Danmadami
Source: Gadau Journal of Pure and Allied Sciences (article, 2022-10-18)
Field: Materials Science — Materials Chemistry

Ab’initio studies of the structural and electronic properties for single-walled armchair MgONT, SiCNTs and ZnONTs for next generations’ optoelectronics Due to greater demand to use 1D semiconducting chips to replace semiconductors made from bulk structures We studied the structural and electronic properties of free (7, 0) metallic oxides and non-metallic carbide nanotubes. SWMgONT, SWZnONT and SWSiCNT were chosen as the representative model. All the quantum simulation studies were done within DFT ab’initio implemented in quantum ESPRESSO. Results obtained for structural properties revealed that the most stable bond lengths of MgONT, ZnONT and SiCNT are 1.80 Å, 1.82 Å and 1.42 Å respectively. The results obtained revealed 2.8 eV band gap for SWMgONT, 0.5 eV for SWZnONT and 0.8 eV for SWSiCNT respectively. Furthermore SWMgONT and SWZnONT are regarded as direct band gap semiconductors while SWSiCNT is regarded as an indirect semiconductor with narrow band gap. The narrow band gap of all the three systems obtained demonstrates their potential in the optoelectronic application in the next generations’ sustainability science and technology. Recent studies showed that explorations were conducted on oxide nanotubes such SiO2NT, however to the best of our knowledge, studies of the oxide nanotubes of Mg, Zn and Si have not been reported, hence few literature are available. Ab initio ; Band gap ; Materials science ; Semiconductor ; Oxide ; Wide-bandgap semiconductor ; Electronic structure ; Computational chemistry ; Direct and indirect band gaps ; Ab initio quantum chemistry methods ; Nanotechnology ; Chemical physics ; Optoelectronics ; Chemistry ; Molecule ; Metallurgy Boron and Carbon Nanomaterials Research ; Superconductivity in MgB2 and Alloys ; Graphene research and applications
Authors: Zachary Thatcher | Chia-Hao Liu | Long Yang | Brennan C. McBride | Gia Thinh Tran | Allison Wustrow | Martin A. Karlsen | James R. Neilson | Dorthe Bomholdt Ravnsbæk | Simon J. L. Billinge
Source: Acta Crystallographica Section A Foundations and Advances (article, 2022-04-05)
Field: Materials Science — Materials Chemistry

<i>nmfMapping</i>: a cloud-based web application for non-negative matrix factorization of powder diffraction and pair distribution function datasets A cloud-hosted web-based software application, nmfMapping, for carrying out a non-negative matrix factorization of a set of powder diffraction or atomic pair distribution function datasets is described. This application allows structure scientists to find trends rapidly in sets of related data such as from in situ and operando diffraction experiments. The application is easy to use and does not require any programming expertise. It is available at https://pdfitc.org/. Cloud computing ; Diffraction ; Matrix (chemical analysis) ; Computer science ; Set (abstract data type) ; Factorization ; Non-negative matrix factorization ; Matrix decomposition ; Function (biology) ; Software ; Powder diffraction ; Pair distribution function ; Materials science ; Algorithm ; Physics ; Crystallography ; Chemistry ; Optics ; Biology ; Operating system ; Programming language X-ray Diffraction in Crystallography ; Crystal Structures and Properties ; Chemical Synthesis and Characterization
Authors: Marjan Salari
Source: Adsorption Science & Technology (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Optimization by Box–Behnken Design and Synthesis of Magnetite Nanoparticles for Removal of the Antibiotic from an Aqueous Phase Some environmental problems caused by the intrusion of active drug ingredients, especially antibiotics, into water resources pose a serious threat. Ciprofloxacin (CIP) is an antibiotic from the group of fluoroquinolones that is used extensively in the treatment of bacterial infections. The presence of drug residues in the environment, especially in water resources, is an essential issue due to their stability and nondegradability. This study is aimed at investigating the efficiency of magnetite (Fe 3 O 4 ) nanoparticles and the effect of independent variables, including initial concentrations of CIP (35-80 mg/L), adsorbent doses (20–60 mg), and pH values (4–10) at reaction time (80 min) for the removal efficiency of CIP antibiotics based on the Box-Behnken design (BBD) method. The analysis of variance (ANOVA) results indicated that a quadratic model was convenient for modeling CIP removal. The first step, the coprecipitation method, was appropriate for the preparation of Fe 3 O 4 nanoparticles and developed as highly efficient adsorbents. Synthesized nanoparticles were later characterized by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), and Fourier transform infrared spectra (FT-IR). The results of XRD have shown that angles for the peaks at [Formula: see text], which corresponded to the crystal planes 220, 311, 400, 422, 511, 440, and 535, respectively, were consistent with standard peaks of magnetite and a cubic face structure. The obtained results indicated that the CIP removal efficiency was 74.44% under optimum operation parameters: initial concentration of CIP 44.15 (mg/L), adsorbent dosage of 59.6 (mg), [Formula: see text], and contact time of 80 min. In fact, a cooperative agreement between model prediction and experimental data using BBD with significant [Formula: see text] values of 0.95 was observed. Based on the results, magnetite nanoparticles have an excellent ability to remove antibiotics from an aqueous phase. Coprecipitation ; Nuclear chemistry ; Magnetite ; Box–Behnken design ; Adsorption ; Chemistry ; Aqueous solution ; Nanoparticle ; Fourier transform infrared spectroscopy ; Scanning electron microscope ; Nanotechnology ; Response surface methodology ; Chromatography ; Materials science ; Inorganic chemistry ; Chemical engineering ; Organic chemistry ; Metallurgy Nanomaterials for catalytic reactions
Authors: Balázs Zsirka | Veronika Vágvölgyi | Erzsébet Horváth | Tatjána Juzsakova | Orsolya Fónagy | Erzsébet Szabó‐Bárdos | János Kristóf
Source: Minerals (article, 2022-04-13)
Field: Materials Science — Biomaterials

Halloysite-Zinc Oxide Nanocomposites as Potential Photocatalysts The synthesis and structural characterization of synthetic zinc oxide and halloysite-based zinc oxide nanocomposites (with 2–28 m/m% ZnO content) are presented. The chemical precipitation of zinc hydroxide precursors and its subsequent drying at 80 °C yielded dominantly zinc oxide (zincite). Thermal treatment at 350 °C completely transformed the remaining precursor to ZnO without causing structural dehydroxylation of the halloysite support. The procedure yielded zinc oxide nanoparticles with 10–22 nm average size having quasi-spherical scale-like morphology. The specific surface area of the synthetic zinc oxide was found to be low (13 m2/g), which was significantly enhanced after nanocomposite preparation (27–47 m2/g). The photocatalytic activity of the prepared nanocomposites was probed by the degradation of a phenolic compound (4-nitrophenol) upon UV irradiation in liquid phase. Compared to their individual constituents, an increased activity of the nanocomposites was observed, while the SSA-normalized photocatalytic activity revealed a synergic effect in nanocomposites above 9 m/m% ZnO content. The nanocomposites were found to be stable at pH = 5.6, with a minor and major mobilization of zinc ions at pH = 12.4 and pH = 1.9, respectively. The toxicity of leachates in different pH environments by Vibrio fischeri bioluminescence indicated low toxicity for ZnO nanoparticles and insignificant toxicity for the nanocomposites. The enhanced photocatalytic activity together with the lower toxicity of the halloysite-ZnO nanocomposites highlight their application potential in water treatment. Zinc ; Nanocomposite ; Photocatalysis ; Zinc hydroxide ; Halloysite ; Nuclear chemistry ; Oxide ; Materials science ; Nanoparticle ; Hydroxide ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Nanotechnology ; Metallurgy ; Catalysis ; Organic chemistry ; Composite material Clay minerals and soil interactions ; Iron oxide chemistry and applications ; Arsenic contamination and mitigation
Authors: Tamara Tadić | Bojana Marković | Jelena Radulovıć | Jelena Lukıć | Ljiljana Suručić | Aleksandra B. Nastasović | Antonije Onjia
Source: Sustainability (article, 2022-07-27)
Field: Chemistry — Analytical Chemistry

A Core-Shell Amino-Functionalized Magnetic Molecularly Imprinted Polymer Based on Glycidyl Methacrylate for Dispersive Solid-Phase Microextraction of Aniline A core-shell amino-functionalized glycidyl methacrylate magnetic molecularly imprinted polymer (MIP) was synthesized by the suspension polymerization/surface imprinting method and characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), mercury porosimetry, nitrogen gas adsorption–desorption, and elemental analysis. This MIP was used as the sorbent in dispersive solid-phase microextraction (DSPME) of aniline from textile wastewater prior to high-performance liquid chromatography-mass spectrometry (HPLC-MS) measurements. Since aniline is toxic and a probable human carcinogen, its determination in water is of great significance. This is a challenging task because aniline is usually present at trace levels. The effects of different DSPME variables on the preconcentration efficiency have been studied by using the Plackett–Burman screening design of experiments (DoE) followed by response surface methodology optimization using the Box-Behnken design. Thus, DoE enabled the investigation of several variables simultaneously. Under optimized conditions, aniline was effectively and selectively separated by a small amount of the DSPME sorbent and detected in real textile wastewater samples. The method detection limit of 1 ng mL−1 was attained, with good method linearity and acceptable recovery and precision. The results showed that the studied MIP could be a reliable DSPME sorbent for efficiently analyzing trace aniline in real wastewater samples. Sorbent ; Aniline ; Molecularly imprinted polymer ; Detection limit ; Fourier transform infrared spectroscopy ; Methacrylate ; Glycidyl methacrylate ; Materials science ; Solid phase extraction ; Chromatography ; Adsorption ; Polymerization ; Chemistry ; Chemical engineering ; Polymer ; Organic chemistry ; Composite material ; Selectivity Analytical chemistry methods development ; Adsorption and biosorption for pollutant removal ; Water Treatment and Disinfection
Authors: Juan M. Marmolejo‐Tejada | Joseph E. Roll | Shiva Prasad Poudel | Salvador Barraza‐Lopez | Martín A. Mosquera
Source: Nano Letters (article, 2022-10-03)
Field: Materials Science — Materials Chemistry

Slippery Paraelectric Transition-Metal Dichalcogenide Bilayers Traditional ferroelectrics undergo thermally induced phase transitions whereby their structural symmetry increases. The associated higher-symmetry structure is dubbed <i>paraelectric</i>. Ferroelectric transition-metal dichalcogenide bilayers have been recently shown to become paraelectric, but not much has been said of the atomistic configuration of such a phase. As discovered through numerical calculations that include molecular dynamics here, their paraelectricity can only be ascribed to a time average of ferroelectric phases with opposing intrinsic polarizations, whose switching requires macroscopically large areas to slip in unison. Ferroelectricity ; Condensed matter physics ; Dielectric ; Phase transition ; Chemical physics ; Materials science ; Molecular dynamics ; Unison ; Symmetry (geometry) ; Point reflection ; Phase (matter) ; Transition metal ; Chemistry ; Physics ; Computational chemistry ; Optoelectronics 2D Materials and Applications ; Acoustic Wave Resonator Technologies ; Perovskite Materials and Applications
Authors: Ana Olı́via de Souza | S Lindsay | B Barris | N Seeman | P Feynman | S Park | S Mourdikoudis | R Pallares | N Thanh | Y Wei | X Gao | F Zhao | X Tian | Y Chong | C Ge | H Johnston | G Hutchison | F Christensen | S Peters | S Hankin | V Stone | P Singh | Y Arif | H Siddiqui | F Sami | R Zaidi | A Azam | P Alam | S Hayat | C Ottoni | M Neto | P Leo | B Ortolan | E Barbieri | A De Souza | S Samadi | M Saharkhiz | M Azizi | L Samiei | A Karami | M Ghorbanpour | S Batool | B Javed | Sohail | M Haji Basheerudeen; Adhila | S Mushtaq | ; Ahmed; Soundhararajan | ; Ranjani | S Nachimuthu; Kumar | ; Srinivasan | Hemalatha | A Mehmood | G Murtaza | P Sharma | D Bhatt | M Zaidi | P Saradhi | P Khanna | S Arora | S El-Megharbel | M Alsawat | F Al-Salmi | R Hamza | J Edson | W Chu | S Porwollik | K Tran | N Iribe | M Mcclelland | Y Kwon | J Jackman | B Yoon | N Mokrzecka | G Kohli | E Valle-Gonzalez | X Zhu | M Pumera | S Rice | N Cho | Gad El-Rab | S Halawani | E Alzahrani | S | Z Xia | Q Ma | S Li | D Zhang | L Cong | Y Tian | R Yang | S Kim | J Jung | K Lamsal | Y Kim | J Min | Y Lee | C Krishnaraj | E Jagan | S Rajasekar | P Selvakumar
Source: Biointerface Research in Applied Chemistry (article, 2022-10-07)
Field: Materials Science — Materials Chemistry

Overview of Nanomaterials and Cellular Interactions In the last three decades, there has been wide progress in nanomaterials development, and several studies are being performed to show its biological effects and cellular interaction for biomedical applications. Due to the exponential increase in nanomaterial diversity, production, and possibilities of applications in different areas, there is an important concern about its toxicity for humans, animals, and ecosystems. There is a great effort to minimize experimental assays in animals, and this is a commendable initiative. Several alternatives in vitro assays are available; however, several new protocols have been introduced to elucidate the mechanisms of cell-nanomaterial interaction. Wide and fast progress in nanotechnology has been observed. Nonetheless, the nanomaterial interaction with cells or biological systems is still not totally described. In this aspect, this paper is a brief overview of nanomaterials and cellular interactions (nano-bio interaction). Nanomaterials ; Nanotechnology ; Biochemical engineering ; Computer science ; Engineering ; Materials science Nanoparticles: synthesis and applications
Authors: Aravin Prince Periyasamy | Mohanapriya Venkataraman | Jiřı́ Militký
Source: Journal of Materials Science (article, 2022-11-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Effect of sol–gel treatment on physical, chemical and mechanical stability of copper-coated conductive fabrics: focus on EMI shielding effectiveness Abstract The development of electronic and communication technology keeps us updated, but it also creates electromagnetic interference (EMI), which causes infrastructure, hospitals, military facilities, nuclear power plants and delicate devices to malfunction. Therefore, it is crucial to stop the EMI-related infrastructure and electronic component failure. Copper-coated textiles are one potential example of the electrically conducting materials that might be utilized to provide an EMI shielding. However, the copper-coated materials’ performance is typically reduced by chemical and mechanical deterioration, especially when it comes to EMI shielding. In this work, we have improved their durability of Cu-coated nonwoven fibrous materials (Milife fabric) by simple silanization treatment. Later, the mechanical and chemical stability was assessed in terms of their morphology and EMI shielding effectiveness (EMSE). The silane coating helps to protect the Cu layer from degradation due to mechanical forces and chemical environment. Silanes also be a key element in obtaining improve the EMI shielding properties for a longer period. The formation of conductive structures on the fibrous materials was observed using a scanning electron microscope (SEM), which further confirms the effect of silane coating on chemical stability, abrasion and washing resistance of Cu-coated fibrous materials (cMi) was analyzed. In addition to this, the EMSE values of the silane-coated cMi fibrous materials were used to evaluate the physical, chemical and mechanical stability of the materials. Materials science ; Composite material ; Electromagnetic shielding ; Coating ; Abrasion (mechanical) ; EMI ; Durability ; Electromagnetic interference ; Chemical stability ; Copper ; Electrical conductor ; Metallurgy ; Chemical engineering ; Electrical engineering Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Material Properties and Processing
Authors: Yagnaseni Roy | Remco W. Top | Wiebe M. de Vos | Boelo Schuur
Source: Chemical Engineering Science (article, 2022-12-05)
Field: Materials Science — Biomaterials

Organic solvent reverse osmosis (OSRO) for the recovery of hemicellulosic derivatives after wood-pulping with a deep eutectic solvent This work investigates the recovery of a deep eutectic solvent (DES) used for pulping wood, by removing remnant hemicellulosic derivatives using reverse osmosis (RO). Xylose and its dehydration product furfural are considered representative hemicellulosic derivatives, and a lactic acid-choline chloride DES was used. Various diluting solvents were considered for the RO feed, namely pure water and binary water-organic solvent (ethanol, acetone, and methanol) mixtures. The results in this work show that the xylose rejection is high in water as well as in the presence of organic solvents such as acetone (with 97% rejection in aqueous acetone solvent and 95% in pure water using the RO membrane). On the other hand, furfural is rejected poorly by the RO membrane in all media (below 60% in all solvents). Finally, based on these results, a separation scheme was proposed to attain a complete mass recovery of each component of this mixture. Chemistry ; Furfural ; Deep eutectic solvent ; Acetone ; Xylose ; Solvent ; Reverse osmosis ; Aqueous solution ; Choline chloride ; Organic chemistry ; Chromatography ; Methanol ; Membrane ; Eutectic system ; Fermentation ; Biochemistry Advanced Cellulose Research Studies ; Catalysis for Biomass Conversion ; Supercapacitor Materials and Fabrication
Authors: Ivan Kulagin | Ming Li | Ville Laitinen | Heikki Handroos
Source: IEEE Access (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Review of MSM Actuators: Applications, Challenges, and Potential Magnetic shape memory alloys (MSMAs) are a new and rapidly developing class of smart materials. These alloys demonstrate significant strain (from 6% to 12%) under an external magnetic field, which combined with their wide actuation frequency range, rapid accelerations, and high energy efficiency has resulted in MSMAs being used in a wide range of applications, for example, for energy harvesting, in measurement devices, flow control and pump applications, and as actuators and dampers. MSM actuators inherit the properties of MSMAs and MSM actuators can thus be extremely useful in many areas such as robotics, mobile machines, aerospace engineering and medicine, to name a few. Although the volume of research related to MSM actuators has increased in recent years, only a few types of these actuators exist, and the number of possible applications is currently rather limited. Nevertheless, MSM actuators clearly have great potential. Against this background, this paper reviews the current state of MSMA technology, examines different classes of MSM actuators and their current applications, and presents opportunities that have not yet been properly explored. Computer science Shape Memory Alloy Transformations ; Magnetic and transport properties of perovskites and related materials ; Advanced Memory and Neural Computing