jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Akrilamida Secara | Kuantitatif Melalui | Proses Hidrolisis | Yee-May Chong | Musa Ahmad | Yook Heng Lee | Kation Seperti | Fe | Fe 3+ | Nh | Kata | Nessler | E Tareke | P Rydberg | P Karlsson | S Eriksson | M Trnqvist | D Zyzak | R Sanders | M Stojanovic | D Tallmadge | B Eberhart | D Ewald | D Gruber | T Morsch | M Strothers | G Rizzi | M Villagran | B Erickson | E Dybing | P Farmer | M Andersen | T Fennell | S Lalljie | D Mller | S Olin | B Petersen | J Schlatter | G Scholz | J Scimeca | N Slimani | S Tuijtelaars | P Verger | A Preston | T Fodey | C Elliott | S Zhou | C Zhang | D Wang | M Zhao | Q Hu | X Xu | Z Li | Y Zhang | J Wang | Y Fu | Y Li | A Stobiecka | H Radecka | J Radecki | A Krajewska | S Garabagiu | G Mihailescu | B Batra | S Lata | M Sharma | C Pundir | N Silva | D Gil | A Karmali | M Matos | M Racha | O Ignatov | S Rogatcheva | O Vasil'eva | V Ignatov | S Kozulin | N Khorkina | K Hasegawa | S Miwa | T Tajima | K Tsutsumiuchi | H Taniguchi | J Miwa | Y Qiu | X Qu | J Dong | S Ai | R Han
Source: Malaysian Journal of Analytical Science (article, 2019-02-24)
Field: Chemistry — Analytical Chemistry

A NEW ULTRA VIOLET-VISIBLE SPECTROPHOTOMETRIC METHOD FOR QUANTITATIVE DETERMINATION OF ACRYLAMIDE VIA HYDROLYSIS PROCESS This paper reported the results for quantitative determination of acrylamide via hydrolysis process using ultra violet-visible (UV-Vis) spectrophotometric method. This quantitative determination started with hydrolysing acrylamide in a strong basic condition to yield ammonia and acid salt. The optimum conditions of hydrolysis (concentration of the base used and time for hydrolysis) were also determined. From this study, the optimum conditions to hydrolyse acrylamide were achieved using 6.0 M of sodium hydroxide (NaOH) for 10 minutes. The hydrolysis process was characterised by monitoring the ammonia produced using Nessler's reagent through the formation of yellow colouration in the presence of ammonia. After the optimisation of hydrolysis process, the characterisation of all parameters including concentration of Nessler's reagent used, reproducibility, dynamic range, and interference ions were studied. Linear dynamic ranges from 0-10 ppm acrylamide with limit of detection (LOD) of 0.074 ppm were obtained when 3.0 mM Nessler's reagent was used. The relative standard deviations (RSD) for reproducibility were 2.8-3.3%. No significant interference from cations such as Na + , K + , Ca 2+ during quantitative analysis of acrylamide, but ions such as Fe 3+ and NH 3 affected the analysis. Acrylamide ; Hydrolysis ; Ultra violet ; Chemistry ; Chromatography ; Process (computing) ; Materials science ; Organic chemistry ; Computer science ; Polymer ; Optoelectronics Spectroscopy and Chemometric Analyses ; Analytical Chemistry and Chromatography ; Water Quality Monitoring and Analysis
Authors: Jackson De Brito Simões | Endira Maria Araújo Pereira | José Joelson de Melo Santiago | Carlos José de Araújo
Source: Materials Research (article, 2019-01-01)
Field: Materials Science — Materials Chemistry

Microstructure and Thermal Analyses of Cu87-xAl13Nbx High-Temperature Shape Memory Alloys This paper presents a thermal and microstructural characterization of Cu87-xAl13Nbx (wt%) high temperature shape memory alloys (HTSMA), with Nb contents ranging from 1 to 3%. The alloys were obtained by arc melting under argon atmosphere. Thermal characterization was performed by differential scanning calorimetry (DSC), revealing that the phase martensitic transformation of all the studied alloys occurs in the range of 200 ºC to 450 ºC. Thermal cycling in this temperature range caused the martensitic transformation to disappear after approximately 6 cycles. However, a new heat treatment at 850 ºC followed by water quenching causes the martensitic transformation to be recovered. Microstructural characterization was performed using optical microscopy (OM) and scanning electron microscopy (SEM), revealing the presence of Nb precipitates in a Cu-Al martensitic matrix, mainly in the Nb-rich compositions. These different microstructures with Nb particles cause a hardness variation that initially decreases between 0.5 %Nb (275HV) and 1.0 %Nb (225HV), then increasing continuously up to 3.0% Nb (380HV). Materials science ; Microstructure ; Differential scanning calorimetry ; Scanning electron microscope ; Diffusionless transformation ; Temperature cycling ; Shape-memory alloy ; Martensite ; Quenching (fluorescence) ; Metallurgy ; Atmospheric temperature range ; Optical microscope ; Thermal ; Composite material ; Thermodynamics ; Optics Shape Memory Alloy Transformations ; High Entropy Alloys Studies ; Titanium Alloys Microstructure and Properties
Authors: Maria Katsogiannou | J. Boyer | Alberto Valdeolivas | Élisabeth Rémy | Laurence Calzone | Stéphane Audebert | Palma Rocchi | Luc Camoin | Anaı̈s Baudot
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2019-07-09)
Field: Chemistry — Spectroscopy

Integrative proteomic and phosphoproteomic profiling of prostate cell lines ABSTRACT Background Prostate cancer is a major public health issue, mainly because patients relapse after androgen deprivation therapy. Proteomic strategies, aiming to reflect the functional activity of cells, are nowadays among the leading approaches to tackle the challenges not only of better diagnosis, but also of unraveling mechanistic details related to disease etiology and progression. Methods We conducted here a large SILAC-based Mass Spectrometry experiment to map the proteomes and phosphoproteomes of four widely used prostate cell lines, namely PNT1A, LNCaP, DU145 and PC3, representative of different cancerous and hormonal status. Results We identified more than 3000 proteins and phosphosites, from which we quantified more than 1000 proteins and 500 phosphosites after stringent filtering. Extensive exploration of this proteomics and phosphoproteomics dataset allowed characterizing housekeeping as well as cell-line specific proteins, phosphosites and functional features of each cell line. In addition, by comparing the sensitive and resistant cell lines, we identified protein and phosphosites differentially expressed in the resistance context. Further data integration in a molecular network highlighted the differentially expressed pathways, in particular migration and invasion, RNA splicing, DNA damage repair response and transcription regulation. Conclusions Overall, this study proposes a valuable resource toward the characterization of proteome and phosphoproteome of four widely used prostate cell lines and reveals candidates to be involved in prostate cancer progression for further experimental validation. Phosphoproteomics ; Stable isotope labeling by amino acids in cell culture ; Proteomics ; Biology ; DU145 ; LNCaP ; Computational biology ; Proteome ; Prostate cancer ; Bioinformatics ; Cancer research ; Cancer ; Cell biology ; Protein phosphorylation ; Genetics ; Phosphorylation ; Gene Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Prostate Cancer Treatment and Research
Authors: Yang Wang | Bin Liu | Chang Woo Koh | Xin Zhou | Huiliang Sun | Jianwei Yu | Kun Yang | Hang Wang | Qiaogan Liao | Han Young Woo | Xugang Guo
Source: Advanced Energy Materials (article, 2019-06-01)
Field: Materials Science — Polymers and Plastics

Organic Solar Cells: Facile Synthesis of Polycyclic Aromatic Hydrocarbon (PAH)–Based Acceptors with Fine‐Tuned Optoelectronic Properties: Toward Efficient Additive‐Free Nonfullerene Organic Solar Cells (Adv. Energy Mater. 24/2019) In article number 1803976, Han Young Woo, Xugang Guo, and co-workers incorporate a series of polycyclic aromatic hydrocarbons with distinct π-conjugated cores, from naphthalene, anthracene, pyrene, to perylene into nonfullerene acceptors via simple and low-cost synthetic routes. The optoelectronic properties of these acceptors can be tuned over a wide range, enabling a promising power conversion efficiency of 10.37% in additive-free organic solar cells. Pyrene ; Perylene ; Anthracene ; Organic solar cell ; Materials science ; Naphthalene ; Photochemistry ; Energy conversion efficiency ; Polycyclic aromatic hydrocarbon ; Acceptor ; Optoelectronics ; Chemistry ; Organic chemistry ; Molecule ; Polymer Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Fullerene Chemistry and Applications
Authors: Tanja Miletić | Nicolas Biot | Nicola Demitri | Giuseppe Brancato | Benson M. Kariuki | Davide Bonifazi
Source: Helvetica Chimica Acta (article, 2019-02-11)
Field: Chemistry — Organic Chemistry

Leveraging Fluorescent Emission to Unitary Yield: Dimerization of Polycyclic Aromatic Hydrocarbons Abstract We report on the synthesis and characterization of novel substituted 1,1′‐biperylene‐2,2′‐diols in which the dihedral angle between the two polycyclic aromatic hydrocarbon (PAH) units is tailored from ca . 60° to ca . 90° in the solid state by introduction of cyclo‐etheric straps or sterically hindered groups such as the triisopropylsilyl (TIPS) group. Depending on the type of substitution, we lock the dihedral angle between the perylenyl moieties enabling fine‐tuning of the molecular optoelectronic properties, with the molecules displaying the smallest angles acting as exceptionally strong emitters with unitary quantum yields. Chemistry ; Dihedral angle ; Fluorescence ; Quantum yield ; Steric effects ; Yield (engineering) ; Polycyclic aromatic hydrocarbon ; Molecule ; Hydrocarbon ; Aromatic hydrocarbon ; Photochemistry ; Crystallography ; Computational chemistry ; Stereochemistry ; Organic chemistry Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Supramolecular Chemistry and Complexes
Authors: Nóra Popovics-Tóth | Ádám Tajti | Katalin Ladányi-Pára | Erika Bálint | György Keglevich
Source: Phosphorus, sulfur, and silicon and the related elements (article, 2019-03-01)
Field: Chemistry — Organic Chemistry

Synthesis of phosphonates in a continuous flow manner The synthesis of dialkyl H-phosphonates and α-aminophosphonates was studied in a continuous flow microwave reactor. Depending on the conditions, the alcoholysis of dialkyl H-phosphonates could be fine-tuned towards the mixed and the fully transesterified products. The continuous flow synthesis of α-aryl-α-aminophosphonates was elaborated utilizing the aza-Pudovik reaction of imines and dialkyl H-phosphonates, as well as the by the Kabachnik-Fields condensation of primary amines, benzaldehyde and > P(O)H reagents. Continuous flow ; Benzaldehyde ; Condensation ; Reagent ; Chemistry ; Flow chemistry ; Continuous reactor ; Organic chemistry ; Aryl ; Condensation reaction ; Combinatorial chemistry ; Catalysis Organophosphorus compounds synthesis ; Asymmetric Hydrogenation and Catalysis ; Organic and Inorganic Chemical Reactions
Authors: Joohyung Park | Jong Kook Won | Jun-Gu Park | Seungwoo Yu | Jihyun An | Jongin Hong | Choongik Kim | Kang‐Jun Baeg | Myung‐Gil Kim
Source: Journal of Nanoscience and Nanotechnology (article, 2019-02-14)
Field: Materials Science — Polymers and Plastics

High Throughput Bar-Coating Processed Organic–Inorganic Hybrid Multi-Layers for Gas Barrier Thin-Films Herein, we demonstrate the preparation of a scalable bar-coated nanocomposite organic-inorganic hybrid film and developed robust barrier films for general purpose packaging. Using combinatory printing of polymers and nanocomposites by bar coating, a facile and effective barrier film fabrication method was developed. Based on a preliminary survey with several material combinations, a rationalized two-fold nanocomposite film was fabricated. The number of layers in the barrier film significantly modified oxygen barrier performance such that, for the 1 wt% ethylene vinyl alcohol (EVOH) intercalated film, the oxygen transmission rate (OTR) of the 5-layer sample was reduced to 31.69% of the OTR of the 3-layer sample (112.8 vs. 35.75 cc/(m² · day)). In addition, fine tuning the amount of EVOH polymer enabled further improvement of oxygen barrier performance. Intercalation of 2 wt% EVOH resulted an OTR improvement from 35.75 in the 1 wt% sample to 11.90 cc/(m² ·day), which is a 4.25-fold enhancement. Overall barrier characteristics proved that our approach could be used for large-area deposited, oxygen resistant, general purpose packaging applications. Materials science ; Bar (unit) ; Coating ; Throughput ; Thin film ; Composite material ; Chemical engineering ; Nanotechnology Synthesis and properties of polymers ; Organic Light-Emitting Diodes Research ; Copper Interconnects and Reliability
Authors: Arnault Heynderickx | Sébastien Nénon | Olivier Siri | Vladimir Lokshin | Vladimir Khodorkovsky
Source: Beilstein Journal of Organic Chemistry (article, 2019-08-28)
Field: Chemistry — Physical and Theoretical Chemistry

1,2,3,4-Tetrahydro-1,4,5,8-tetraazaanthracene revisited: properties and structural evidence of aromaticity loss The synthesis and properties of 1,2,3,4-tetrahydro-1,4,5,8-tetraazaanthracene (THTAA) - a heterocycle involving both >N-H donating and =N- accepting moieties - have been reinvestigated. Unlike previously reported, THTAA is a thermally stable compound that can be re-sublimed at 300-310 °C without decomposition. Controlled introduction of substituents at the nitrogen atoms of THTAA led to variation of its electron donor/acceptor capability that allowed fine-tuning the absorption properties. The propensity of these compounds and a number of its derivatives to form infinite chains involving >N-H···N= and >N-H···Hal<sup>-</sup>···N<sup>+</sup> atoms is demonstrated by X-ray structure analysis. The DFT level optimized and experimental geometry of THTAA and its derivatives show considerable loss of aromaticity within the quinoxaline moiety. Chemistry ; Aromaticity ; Computational chemistry ; Stereochemistry ; Organic chemistry ; Molecule Crystallography and molecular interactions ; Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials
Authors: Satyendra Singh | Sumit Bera | Hasan Afzal | Vinay Kaushik | Manju Mishra Patidar | R. Venkatesh
Source: AIP conference proceedings (article, 2019-01-01)
Field: Materials Science — Materials Chemistry

Influence of sulphur doping in snse nanoflakes prepared by microwave assisted solvothermal synthesis Nanostructured SnSe studied for their high Seebeck coefficient with low thermal conductivity is reported to be a potential material for thermoelectric applications. Recently, nano-structuring of SnSe withsulphurdoping has been estimated theoretically to enhance the figure of merit and hence ispredicted to be favourable for thermoelectric applications. Thestructural, optical and morphological properties of SnSe nanoflakessynthesized via scalable and facile microwave assisted solvothermal synthesis isreported in this work. X-ray diffraction reveals a single phase orthorhombic structure with a crystallite size of ∼38nm. Morphology studies from FESEM reveals that the edge to edge length of single flake is ∼1.3 µm. Topography studies from AFM indicate square-like two dimensional nanoflakeswith length of 1.6 µm,breadth of 800nm, thickness of ∼250nmand roughness 36rms. Optical properties indicate a direct band gap of ∼1.03eV. Energy dispersive spectroscopy (EDS) demonstrates the presence of 9% sulphur along with the expected 1:1 ratio of Sn and Se that is attributed to the presence of monolayer of Thioglycolic acid (TGA) which is used as the shape directing agent. A fine tuning of morphology as well as optimization of sulphur content is possible by TGA which would be promising for thermoelectric application. Materials science ; Thermoelectric effect ; Crystallite ; Band gap ; Solvothermal synthesis ; Doping ; Orthorhombic crystal system ; Seebeck coefficient ; Thioglycolic acid ; Thermoelectric materials ; Chemical engineering ; Thermal conductivity ; Nanotechnology ; Optoelectronics ; Crystallography ; Composite material ; Crystal structure ; Chemistry ; Metallurgy Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; 2D Materials and Applications
Authors: Yuyu Liu | Kang Zhang | Yan Li | Qi Wei | Yifan Bo | Lianhui Wang | Yan Qian | Ruidong Xia | Qi Zhang | Wei Huang
Source: Organic Electronics (article, 2019-09-12)
Field: Materials Science — Materials Chemistry

Low–threshold sky-blue gain medium from a Triazine-capped ladder-type oligomer neat film Oligomer ; Sky ; Triazine ; Materials science ; Blue light ; Polymer chemistry ; Photochemistry ; Optoelectronics ; Chemistry ; Physics ; Astronomy Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Random lasers and scattering media
Authors: Yuan Li | Guimei Shi | Min Tong | Shutong Li | Fa‐Nian Shi | Yu Di
Source: Journal of Materials Science Materials in Electronics (article, 2019-10-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Effects of Al content in Fe–Al raw material alloy on shape and microwave absorption of Fe-based nanocapsules prepared by arc discharged method Nanocapsules ; Microwave ; Materials science ; Alloy ; Raw material ; Arc (geometry) ; Metallurgy ; Absorption (acoustics) ; Electric arc ; Microwave digestion ; Composite material ; Nanotechnology ; Chemistry ; Chromatography ; Mechanical engineering ; Organic chemistry ; Electrode ; Engineering Electromagnetic wave absorption materials ; Magnetic Properties and Synthesis of Ferrites ; Graphene research and applications
Authors: Tao An | Dan Liŭ
Source: Current Applied Physics (article, 2019-02-15)
Field: Materials Science — Polymers and Plastics

Fabrication of carbon nanotube-threephase organic photodetectors with high responsivity and wide spectrum and the underlying mechanisms Carbon nanotube ; Materials science ; Responsivity ; Quantum efficiency ; Heterojunction ; Optoelectronics ; Active layer ; Exciton ; Photodetector ; Photoactive layer ; Nanotechnology ; Polymer solar cell ; Solar cell ; Layer (electronics) Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Nanowire Synthesis and Applications
Authors: Hua-Li Nie | Jiaxing Huang
Source: Matter (article, 2019-12-01)
Field: Materials Science — Biomaterials

Working with Minions: Assisted Scalable Bio-nanomanufacturing of Functional Materials Nanotechnology ; Nanomaterials ; Materials science ; Nanoparticle ; Nanoscopic scale ; Computer science Supramolecular Self-Assembly in Materials ; Graphene and Nanomaterials Applications ; Biochemical and Structural Characterization
Authors: Zahid Hussain | Cristiane Storck Schwalm | Raoní Scheibler Rambo | Renieidy Flávia Clemente Dias | Rafael Stieler | Adriano L. Monteiro
Source: Catalysts (article, 2019-08-26)
Field: Chemistry — Organic Chemistry

Synthesis of Mono- and Bis-Pyrazoles Bearing Flexible p-Tolyl Ether and Rigid Xanthene Backbones, and Their Potential as Ligands in the Pd-Catalysed Suzuki–Miyaura Cross-Coupling Reaction The present work describes the synthesis of mono- and bis-pyrazole compounds bearing flexible p-tolyl ether and rigid 4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene backbones as pyrazolyl analogues of DPEphos and Xantphos ligands, respectively. The synthesis of new pyrazolyl analogues was accomplished following an Ullmann coupling protocol, and the resulting products were isolated in overall good yields. In addition, a hybrid imidazolyl–pyrazolyl analogue bearing a xanthene backbone was synthesized using the same protocol, whereas a hybrid selanyl–pyrazolyl analogue with a xanthene backbone was synthesized in a good yield employing a second C–H activation step. The symmetrical bis-pyrazolyl and the hybrid imidazolyl–pyrazolyl analogues were found to be the most active among the new ligands evaluated in the Pd-catalysed Suzuki-Miyaura cross-coupling of aryl halides with aryl boronic acids. A simple catalytic system based on Pd(OAc)2/2a was developed, which efficiently catalyses the Suzuki–Miyaura reaction of aryl halides and aryl boronic acids and provides moderate to excellent yields of the corresponding cross-coupling products. Xanthene ; Xantphos ; Chemistry ; Aryl ; Combinatorial chemistry ; Ether ; Coupling reaction ; Pyrazole ; Bromide ; Medicinal chemistry ; Organic chemistry ; Catalysis ; Alkyl Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods ; Sulfur-Based Synthesis Techniques
Authors: Hyun Suk Jung | Yein Kang
Source: Ceramist (article, 2019-09-30)
Field: Materials Science — Materials Chemistry

Three-dimensional Nanoporous Graphene-based Materials and Their Applications Graphene, a two-dimensional material with a single atomic layer, has recently become a major research focus in various applications such as electronic devices, sensors, energy storage, catalysts, and adsorbents, because of its large theoretical surface area, excellent electrical conductivity, outstanding chemical stability, and good mechanical properties. Recently, 3D nanoporous graphene structures have received tremendous attention to expand the application of 2D graphene. Here, we overview the synthesis of 3D nanoporous graphene network structure with two-dimensional graphite oxide sheets, the control of porous parameters such as specific surface area, pore volume and pore size etc, and the modification of electronic structure by heteroatom doping along with its various applications. Graphene ; Nanoporous ; Materials science ; Nanotechnology ; Computer science Graphene research and applications ; Supercapacitor Materials and Fabrication ; Covalent Organic Framework Applications
Authors: Philipp Wedi | Klaus Bergander | Christian Mück‐Lichtenfeld | Manuel van Gemmeren
Source: ChemRxiv (preprint, 2019-10-23)
Field: Chemistry — Organic Chemistry

Mechanism of the Arene-Limited Nondirected C–H Activation of Arenes with Palladium: A Combined Experimental and Theoretical Study Recently, synthetic methods have been discovered which enable the directing group-free C–H activation of arenes with palladium-catalysts and do not require an excess of the arene substrate. By overcoming this long standing challenge, such methods have now become suitable for the functionalization of complex organic molecules. The key to success in several of these transformations has been the use of two complementary ligands, an N-acyl amino acid and an Nheterocycle. Further applications of this design principle will likely require the guidance by a profound mechanistic understanding. This prompted us to engage in a detailed experimental and computational mechanistic study of the dual ligand enabled C–H activation of arenes. Based on comprehensive kinetic experiments, (CID-)MS, (DOSY-)NMR, and DFT calculations we find that a 1:1:1 complex of palladium and the two ligands is indeed the active species that enables a partially rate-limiting concerted C–H activation as part of a Pd0/PdII-cycle. Our study highlights the importance of catalyst speciation and allows us to rationalize the role of each ligand as well as the observed regioselectivities. These findings are expected to be highly useful for further method development using this powerful class of catalysts. Palladium ; Chemistry ; Catalysis ; Combinatorial chemistry ; Ligand (biochemistry) ; Limiting ; Catalytic cycle ; Computational chemistry ; Stereochemistry ; Organic chemistry ; Receptor Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions ; Oxidative Organic Chemistry Reactions