jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Elder Edinson Diaz Sierra
Source: Universidad Industrial de Santander (article, 2019-01-01)
Field: Materials Science — Materials Chemistry

Multi-component crystals of nafazolin and dexchlorphe-niramine: synthesis, crystallographic characterization and physical properties * En el presente trabajo se muestran los resultados de la síntesis de sales y co-cristales de los antihistamínicos Nafazolina y Dexclorfeniramina, los análisis por espectroscopia infrarroja, análisis términos TGA-DSC, técnicas difractométricas de rayos X tanto de polvo y de cristal único y los estudios de solubilidad y velocidad de disolución. La baja solubilidad es el principal problema en la industria farmacéutica de muchos medicamentos porque limitan la biodisponibilidad del principio farmacéuticamente activo, una estrategia para mejorar la solubilidad sin modificar las propiedades farmacologías es la síntesis de cristales multi-componentes. Se sintetizaron cristales multi-componentes de nafazolina y dexclorfeniramina por medio de sonoquímica y mecanoquímica asistida por solvente. La formación de co-cristales se llevó a cabo con co-formadores orgánico tales como: sacarina (SCR), cafeína (CFN), ácido para toluen sulfónico (ATS), ácido isonicotínico (AIN) y ácido nicotínico (ANT). Con la finalidad de obtener sales se usaron los ácidos dicarboxílicos: ácido ascórbico (ASB), ácido benzoico (ABZ), ácido succínico (ASN) y ácido fumárico (AFM). Mediante difracción de rayos X de monocristal se determinó la estructura cristalina del succinato y el fumarato de nafazolina. Los resultados demuestran que el succinato de nafazolina cristaliza en un sistema cristalino ortorrómbico con un grupo espacial Pbca y parámetros cristalinos a =8,0375 (12) , b =17,576 (3) , c = 22,683 (4) y V = 3204.4 (9) que coinciden con los obtenidos por DRX de polvo; el fumarato de nafazolina cristaliza en un sistema cristalino monoclínico con grupo espacial I2/a y valores de celda unidad a =14,084 (7) , b =8,116 (3) , c = 28,459 (12) y V = 3181 (2) , todos con el empaquetamiento cristalino. Los ensayos de solubilidad revelan que el succinato y el fumarato presenta mayor solubilidad en comparación a la base libre en medio acuso, lo que es un indicativo de un aumento de la biodisponibilidad de estas sales in vitro. Vale resaltar que el succinato y fumarato de nafazolia son dos candidatos con altas posibilidades para realizar en un futuro pruebas farmacocinéticas y farmacológicas in vivo. * X-ray crystallography ; Characterization (materials science) ; Crystallization ; Inorganic compound Crystallization and Solubility Studies ; Crystallography and molecular interactions ; Drug Solubulity and Delivery Systems
Authors: Muhammad Zubair | Stefanie Sandlöbes-Haut | Max A. Wollenweber | Katrin Bugelnig | Carl F. Kusche | Guillermo Requena | Sandra Korte‐Kerzel
Source: Materials Science and Engineering A (preprint, 2019-09-11)
Field: Materials Science — Biomaterials

Strain heterogeneity and micro-damage nucleation under tensile stresses in an Mg–5Al–3Ca alloy with an intermetallic skeleton Laves phase ; Intermetallic ; Materials science ; Alloy ; Nucleation ; Ultimate tensile strength ; Phase (matter) ; Deformation (meteorology) ; Metallurgy ; Composite material ; Crystallography ; Thermodynamics ; Chemistry Magnesium Alloys: Properties and Applications ; Metal and Thin Film Mechanics ; Aluminum Alloys Composites Properties
Authors: J. Li | C. F. Zhang | Rui Yin | Wuju Zhang
Source: University of Zagreb University Computing Centre (SRCE) (article, 2019-01-01)
Field: Materials Science — Ceramics and Composites

Preparation and properties of SiAlON ceramics by gel casting and pressureless sintering This study employed a low-toxicity N, N-dimethylacrylamide/N, N-methylene acrylamide (DMAA /MBAM) gel system to near net shape SiAlON ceramics from aqueous slurries with a solid loading of 40 wt.%Si3N4, Al2O3, Y2O3, AlN, and Ce2O3 powder mixtures.The green bodies were sintered by one-and three-step pressureless sintering.Results showed that green bodies had a homogeneous microstructure with a high density of 1,9 g/cm3 and high flexural strength of 28,6 Mpa.Equiaxed -SiAlON was prepared by one-step pressureless sintering, whereas -Si4Al2O2N6 with an elongated morphology was fabricated by three-step pressureless sintering.Therefore, a lowtemperature heat preservation stage reduces the nucleation rate, which is favorable for the development of elongated -SiAlON grains. Sialon ; Pressureless sintering ; Materials science ; Ceramic ; Sintering ; Casting ; Metallurgy ; Composite material Advanced ceramic materials synthesis ; Aluminum Alloys Composites Properties
Authors: Danijela Ašperger | Šime Ukić | Dragana Mutavdžić Pavlović | Tomislav Bolanča | Sandra Babić
Source: Kemija u industriji (article, 2019-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Kromatografska analiza u sustavu kvalitete analitičkoga procesa u Zavodu za analitičku kemiju Fakulteta kemijskog inženjerstva i tehnologije Bez analitičke kemije nemoguće je zamisliti napredak mnogih područja ljudske djelatnosti. Spomenuti značaj ove grane kemije jedan je od glavnih razloga uspješnog opstanka i kontinuiranog razvoja Zavoda za analitičku kemiju unutar jednog tehničkog fakulteta, kao što je današnji Fakultet kemijskog inženjerstva i tehnologije (FKIT) Sveučilišta u Zagrebu. Dinamičnost razvoja analitičke kemije bila je neprestani poticaj nastavnicima Zavoda za prilagođavanjem svjetskim trendovima i sustavnim unaprjeđenjem nastavnog programa i istraživačkog rada.&lt;br /&gt; Početak nastavnog, znanstvenog, ali i stručnog djelovanja Zavoda temeljio se na klasičnim metodama analize, no potaknuta razvojem moderne analitičke opreme ubrzo se intenzivirala primjena brojnih kemijskih i fizikalno-kemijskih metoda analize, od kojih je danas najzastupljenija kromatografija. Naime, konac dvadesetog stoljeća ubrzanim je razvojem instrumentalnih tehnika, uvođenjem računala i činjenicom da su podatci analitičkih mjerenja postali temelj odlučivanja u medicini, zaštiti okoliša, razvoju materijala te osiguravanju kvalitete procesa i proizvoda, dao novi uzlet analitičkoj kemiji, a osobit procvat doživjela je kromatografija kao idealna tehnika za višekomponentnu analizu analita u tragovima. Physics ; Croatian ; Humanities ; Art ; Philosophy Various Chemistry Research Topics ; Inorganic and Organometallic Chemistry ; Chemistry and Chemical Engineering
Authors: 一旗 宮里
Source: Hokkaido University Collection of Scholarly and Academic Papers (Hokkaido University) (article, 2019-03-25)
Field: Chemistry — Physical and Theoretical Chemistry

Exploration of novel two dimensional materials by using first principle calculation and materials informatics approach [an abstract of dissertation and a summary of dissertation review] Informatics ; Computer science ; Engineering ethics ; Data science ; Epistemology ; Engineering ; Philosophy Advanced Physical and Chemical Molecular Interactions ; Material Selection and Properties ; Chemical and Physical Properties of Materials
Authors: Ali Moltajaei Farid | Mousa | S Amr | A Aliper | M Salah | L Stead | A Carroll | T Lancaster | N Volkow | G Koob | A Mclellan | E Boyer | V Felitti | M Lancaster | E Sobie | A Mayr | Q Xu | Y Niu | W Zhang | T Saito | M Rehmsmeier | F Mousa | R El-Khoribi | M Shoman
Source: International Journal of Biology Pharmacy and Allied Sciences (article, 2019-07-31)
Field: Chemistry — Analytical Chemistry

PREDICTION OF DRUG ADDICTION USING ARTIFICIAL NEURAL NETWORK Drug addiction is one of the serious problems that worry the Egyptian government. A lot of problems have been appeared as a result from this type of addiction such as assault or rape which considered to be physical and sexual aggression. And its causes many risks and problems around the world like creating physical, psychological, social and economic problems that need local and international efforts to address them.During the last years, the focus in computer science was on a technique called machine learning; there is some facilities which are essential made this field to be an important one. In the past, the medically diagnosis field is separated from case description. In this paper we use artificial neural network to identify the addiction status of people. Artificial neural network ; Addiction ; Drug ; Artificial intelligence ; Machine learning ; Computer science ; Psychology ; Neuroscience ; Psychiatry Analytical Methods in Pharmaceuticals
Authors: Emma Hookham | Oyuna Rybdylova | Simon Busbridge | Robin Holmes | Duncan Perry | Dipak K. Sarker
Source: University of Brighton Repository (University of Brighton) (article, 2019-01-01)
Field: Materials Science — Surfaces, Coatings and Films

Novel coatings for transmission electron microscopy sample preparation Transmission electron microscopy ; Sample preparation ; Materials science ; Electron microscope ; Microscopy ; Sample (material) ; Energy filtered transmission electron microscopy ; Nanotechnology ; Chemistry ; Optics ; Scanning transmission electron microscopy ; Physics ; Chromatography Electron and X-Ray Spectroscopy Techniques
Authors: Bakhtiar Yunusov
Source: E3S Web of Conferences (article, 2019-01-01)
Field: Materials Science — Polymers and Plastics

Drying and disaggregation of cotton powder cellulose in the flash drying unit The issues related with the drying and disaggregation of the cotton powder cellulose (CPC) in the flash drying unit are being discussed, as well as the properties of the cotton powder cellulose are being analyzed as the subject of drying and processing treatment. Cellulose ; Flash (photography) ; Materials science ; Pulp and paper industry ; Chemical engineering ; Composite material ; Chemistry ; Organic chemistry ; Engineering ; Art Textile materials and evaluations ; Engineering and Agricultural Innovations
Authors: Laëtitia Mayen
Source: theses.fr (ABES) (preprint, 2019-10-24)
Field: Materials Science — Materials Chemistry

Physicochemical study of a new family of calcium mixed ortho- and pyrophosphates materials for biomedical interest Ce mémoire porte sur l'étude de nouveaux matériaux amorphes mixtes orthophosphate et pyrophosphate de calcium et de sodium qui présentent un intérêt pour des applications en tant que biomatériaux de régénération osseuse du fait de la présence des ions ortho- (briques élémentaires pour la formation d'apatite biologique) et d'ions pyrophosphate (hydrolysables en orthophosphates à pH acide ou par action d'enzymes présentes dans le tissu osseux). Ces matériaux sont élaborés par chimie douce incluant le passage d'une solution à un gel puis à un solide. L'objectif de cette thèse est d'étudier l'effet de différents paramètres de synthèse en vue de déterminer les mécanismes de formation de ces matériaux originaux et de décrire leur structure. En particulier, nous avons étudié l'effet de la composition relative de la solution initiale en précurseurs phosphates (différents ratios molaires en ions ortho- et pyrophosphates) et de la température de séchage lors de la dernière étape du protocole d'élaboration sur la composition et la structure du matériau final en mettant en œuvre différentes techniques de caractérisation complémentaires et à différentes échelles (DRX, MEB, MET, spectroscopie Raman, ATG/ATD, RMN du solide, analyses chimiques). Dans un premier temps, nous montrons qu'il est possible de contrôler la composition du matériau final à partir de celle de la composition de la solution initiale de précurseurs phosphates. Les compositions extrêmes étudiées (100% pyro- et 100% ortho-) conduisent à une phase plus ou moins bien cristallisée : la canaphite a et l'apatite nanocristalline, respectivement. En revanche, tous les matériaux élaborés à partir d'une solution de composition intermédiaire (mixte ortho- et pyro-) sont amorphes et leur composition a été déterminée ce qui a permis de proposer une formule chimique générale pour ces matériaux amorphes mixtes ortho et pyrophosphates de calcium et sodium hydratés. Il a été possible de préciser certaines hypothèses, comme l'effet inhibiteur de l'ion pyrophosphate sur la cristallisation de l'orthophosphate de calcium (et vice-versa), qui contrôle la structure du matériau final (amorphe ou cristallin) et ce pour une grande gamme de compositions de matériaux. La caractérisation fine par RMN du solide et par MET ont permis de mettre en évidence une formation de type colloïdale de ces types de matériaux et pouvant s'appuyer sur le modèle de cluster de type Posner. Dans un second temps, nous montrons que la température de séchage, est un paramètre contrôlant l'état d'hydratation de ces matériaux mais aussi la réaction d'hydrolyse interne des ions pyrophosphate en ions orthophosphate au sein du matériau ainsi que la réaction inverse de condensation des ions ortho- en ions pyrophosphate vers 400°C.[...] Calcium ; Chemistry ; Medicine ; Internal medicine Thermal and Kinetic Analysis ; Chemical Synthesis and Characterization
Authors: Cristian Pérez-Salinas | Christian Castro | Roberto Valencia
Source: MATEC Web of Conferences (article, 2019-01-01)
Field: Materials Science — Polymers and Plastics

The cubic regression model of thermal estimation in the flammability test of the fibrous compound used in bus bodies The fire behavior of fiber compounds is a serious concern in automotive applications. The objective of the proposed work is to predict thermal behavior during flammability testing of the composite material of polymer matrix reinforced with fiberglass used in the interior lining of bodies. Different regression models were performed to determine the best fit. This regression analysis determines the existing correlation between the acquired parameters of burn time and temperature versus two types of fibers used for the interior decorative lining. Different regression coefficients were determined and used for the prediction. Through the best fit regression model, thermal behavior of burning during the flammability test is predicted under ISO standard 3795: 1989 and FMVSS 302. The prediction was made for two types of composites, Roof Fiber, FT, and Fiber for laterals, FL. The cubic regression model showed the best prediction fit with a Rq of 0.79 for FT and 0.81 for FL. Flammability ; Regression analysis ; Composite material ; Materials science ; Fiber ; Thermal ; Linear regression ; Forensic engineering ; Statistics ; Mathematics ; Engineering ; Thermodynamics ; Physics Flame retardant materials and properties ; Fire dynamics and safety research ; Combustion and Detonation Processes
Authors: M. Egami | Ikuo Ohnuma | Masanori Enoki | Hiroshi Ohtani | Eiji Abe
Source: arXiv (Cornell University) (preprint, 2019-06-12)
Field: Materials Science — Biomaterials

Thermodynamic origin of solute-enriched stacking-fault in dilute Mg-Zn-Y alloys We investigate thermodynamic behaviors of dilute Mg-Zn-Y ternary alloys to form a unique solute-enriched stacking-fault (SESF), which is an intrinsic-II type stacking-fault (I2-SF) enriched by the Zn and Y atoms and represents the structural-unit of the long-period stacking/order (LPSO) phase. SESF in the hexagonal-close-packed (hcp) Mg matrix forms a local face-centered-cubic (fcc) environment, and hence our thermodynamic analysis is based on the Gibbs energy comparison between hcp and fcc phases over the Mg-Zn-Y ternary composition ranges, using the calculation of phase diagrams (CALPHAD) method aided by the first principles calculations. Segregation behaviors of solute Zn/Y atoms into the SESF are firstly estimated according to the Hillert's parallel tangent law, followed by the possible disorder-order phase transformation within the SESF using the multiple-sublattice model. We find that the Zn/Y co-segregations at the SESF provide a remarkable condition that the fcc layers become more stable than the hcp-Mg matrix. Besides, within the SESF, the following spinodal-like decomposition into the Mg-rich solid-solution and the Zn/Y-rich L12-type order phase causes a significant reduction of the total Gibbs energy of the system. These thermodynamic behaviors explain fairly well a phenomenological origin of the Zn-Y clustering with the L12-type short-range order, which is known to occur for the LPSO phases and also confirmed for the present SESF by electron microscopy experiments. Therefore, strong Zn-Y interactions even in dilute conditions play a key role to stabilize firmly the SESF in the Mg-Zn-Y alloys. CALPHAD ; Spinodal decomposition ; Thermodynamics ; Materials science ; Gibbs free energy ; Stacking ; Phase (matter) ; Ternary operation ; Solid solution ; Stacking fault ; Phase diagram ; Crystallography ; Chemistry ; Dislocation ; Metallurgy ; Physics Magnesium Alloys: Properties and Applications ; Metal and Thin Film Mechanics ; Corrosion Behavior and Inhibition
Authors: Anthony Barra
Source: eScholarship (California Digital Library) (article, 2019-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetic Memory with Antiferromagnets and Multilayers In the next 10 years, the demand for data storage will increase exponentially until current storage methods are economically untenable. The speed and energy efficiency of digital memory will need to be improved by at least a factor of 100-10,000 times. Magnetic memory offers a major energy efficiency improvement (&amp;gt; 100 times) because it can be integrated with voltage-controlled switching methods, like multiferroicity (i.e. strain-coupling), but it is also unfortunately speed limited by the material’s ferromagnetic resonance. To surpass the speed limit, ferromagnetic materials can be substituted by magnetic multilayers or antiferromagnets, since their resonances are 10-1000 times higher. However, further work is required to integrate these under-studied materials into the necessary highly energy efficient multiferroic control schemes. In this dissertation, three main problems are addressed regarding voltage control of multilayers and antiferromagnets. First, the level of exchange coupling and magnetic property averaging in multilayers is not well understood. In this dissertation, a novel micromagnetic simulation of multilayer is presented that includes a distinct multilayer exchange coupling term, and the model’s predictions are compared to experimental magnetic depth profiles obtained via neutron scattering. Second, a deficiency in the literature regarding strain control of antiferromagnets is corrected by presenting a new antiferromagnetic magneto-electro-mechanical model that predicts both near THz and aJ-level energy costs for switching. Finally, the first experimental test to measure strain-induced anisotropy in antiferromagnets is presented, showing that small strains (around 300 με) produces magnetoresistance changes similar to those observed when 3 Tesla of external magnetic field is applied. This work should provide new pathways to simulate and integrate next-generation materials choices into magnetic memory. Condensed matter physics ; Coupling (piping) ; Ferromagnetism ; Antiferromagnetism ; Micromagnetics ; Voltage ; Magnetic anisotropy ; Magnetic memory ; Anisotropy ; Magnetic storage ; Ferromagnetic resonance ; Materials science ; Physics ; Magnetization ; Nanotechnology ; Magnetic field ; Optics ; Quantum mechanics Magnetic Properties and Applications ; Magnetic properties of thin films ; Magnetic Field Sensors Techniques
Authors: Abdulla Al-sadah
Source: OakTrust (Texas A&M University Libraries) (article, 2019-01-04)
Field: Chemistry — Analytical Chemistry

Characterization of Crude Oils and Asphaltenes for Al-Shaheen Field Al Shaheen field is the largest oil producing field in Qatar. It is considered as an important strategic asset for the economic growth of Qatar. Hence, it is crucial for the country to explore and analyze ways that could optimize the development process in this oilfield. Scientists and scholars have not been able to completely segregate the crude oil into individual components. Also, huge variations are found in the chemical composition of crude oil from oilfield to oilfield and from region to region. Hence, there is a need of conducting a focused study for the characterization of crude oil and asphaltenes in the context of Al Shaheen field. It is not possible to use experimental data for analytical purposes due to its large volume and the complexities involved. Hence, the researchers use cubic equations of state to predict the composition and behavior of crude oils in different oilfields. Maersk Oil Qatar is operating Al Shaheen field at present under a 25 year agreement with Qatar Petroleum. The company is using Peng Robinson Equation of State for the characterization of crude oil. This study recommends expanding the match of EOS from C20 plus (currently used by Maersk Oil) to C60 plus extended oil analysis using the Peng-Robinson equation. The new approach is expected to address accuracy problems, if there are any, particularly evident for very heavy crude oils. Asphaltene ; Crude oil ; Characterization (materials science) ; Field (mathematics) ; Chemistry ; Nanotechnology ; Materials science ; Mathematics ; Petroleum engineering ; Engineering ; Organic chemistry Petroleum Processing and Analysis ; Hydrocarbon exploration and reservoir analysis ; Global Energy and Sustainability Research
Authors: И. Н. Кравченко | M. A. Glinskiy | Yu. А. Kuznetsov | T. A. Cheha
Source: Engineering for Rural Development (article, 2019-05-22)
Field: Materials Science — General Materials Science

Conception of CAE system support for protective coating deposition process design in agroindustrial complex Currently in agricultural complex there exists a significant requirement in life time improving of the different processing equipment. One of the most promising and advanced ways to improve the resource of technological equipment is the protective and functional coatings thermal spray deposition for reconditioning and hardening of the core parts and movable operating elements, such as: parts of mixers of variable constructions and purposes, blades and scrapers of different machines, calenders, sliding bearing and mechanical seal parts, tank equipment and heat exchanger work surfaces, high speed centrifugal separator and decanter parts, conveyors and draw plates. Using of the proposed intelligent automated design system (CAE-system) enables considerably decrease costs and time for development of effective resource-saving technological processes of manufacturing coated equipment parts, improve quality and increase designers and technologist labour productivity. The software package being implemented at the same time allows to effectively carry out computational experiments for a comprehensive study and prediction of the resulting coatings of various functional purposes with enhanced physical, mechanical and operational properties. The paper presents the concept, architecture, principles of design and approach to development of the proposed CAE-system and highlights the potential for its further implementation in the practice of processing industries repair facilities and specialized service centres of the agroindustrial complex. Deposition (geology) ; Process (computing) ; Coating ; Computer science ; Process engineering ; Manufacturing engineering ; Engineering ; Materials science ; Nanotechnology ; Operating system ; Geology Material Properties and Applications ; Engineering Technology and Methodologies ; Mechanical Systems and Engineering