jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: M. Robinson
Source: W&M Publish (College of William & Mary) (article, 2019-01-01)
Field: Materials Science — Surfaces, Coatings and Films

Machine Learning and Electron Track Reconstruction for the MOLLER Experiment This report presents the development of a machine learning algorithm (a neural net- work) for the purpose of track reconstruction in the MOLLER experiment. The MOLLER experiment is a collaboration at Jefferson Lab which plans on measuring the parity-violating asymmetry in high energy electron-electron (Møller) scattering. This measurement is an important test of the Standard Model and could potentially serve as evidence for new physics beyond the Standard Model. Reconstruction of electron trajectories provides important kinematic data about the electrons which is necessary for the asymmetry measurement. As such, the MOLLER experiment requires a track reconstruction tool which can efficiently handle large amounts of data. We created a recurrent neural network which models the trajectories of electrons in the detector system for MOLLER. We trained the network using data from the GEANT 4 Monte Carlo simulation for the experiment. At this stage, our network is able to correctly predict the locations where an electron hits the main detector given that electron’s previous positions in the detector system. We describe various studies we conducted to improve the accuracy and efficiency of our network, as well as present suggestions for any potential continuations of this project. Track (disk drive) ; Artificial intelligence ; Computer science ; Fast track ; Computer vision ; Medicine ; Operating system Electron and X-Ray Spectroscopy Techniques ; Particle Detector Development and Performance ; Photocathodes and Microchannel Plates
Authors: Md. Kaykobad Hossain
Source: BRAC University Institutional Repository (BRAC University) (article, 2019-01-01)
Field: Chemistry — Spectroscopy

Solubility profile of linagliptin: designing of transdermal formulation This project report is submitted in partial fulfilment of the requirements for the degree of Bachelor of Pharmacy, 2019. Linagliptin ; Solubility ; Transdermal ; Materials science ; Chemistry ; Medicine ; Pharmacology ; Organic chemistry ; Diabetes mellitus Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Advancements in Transdermal Drug Delivery
Authors: Kasali Aderinmoye Adedeji | Neda Raji | L.O. Fadipe | Adenike M. Giwa
Source: Engineering and Technology Research Journal (article, 2019-09-17)
Field: Materials Science — Materials Chemistry

EXPERIMENTAL INVESTIGATION OF THERMAL EFFECTS ON THE DRILLING OPERATION OF LOW CARBON STEEL The effects of drilling parameters, drill speed and feed rate on the twist drill bit temperature in drilling of low carbon steel material with and without the use of coolant at different point angles is experimentally investigated. The drill bit temperature was recorded during the drilling experiment. The Feed rate and spindle speed are varied as per L14 orthogonal array. The experiments were conducted by using High Speed Steel (HSS) drills having 82, 100 and 118 drill point angles respectively. Analysis of temperature on the drilling parameters concluded that, the drilling temperature of the specimen increases with increase in both cutting speed and feed rate. This work thoroughly construes that 118 drill point angle produced the highest drilling temperature during the specimen drilling. Thus in order to reduce the thermal effects during machining of the specimen, the 82 drill point angle should be used. Drilling ; Thermal ; Metallurgy ; Carbon fibers ; Materials science ; Carbon steel ; Environmental science ; Composite material ; Corrosion ; Thermodynamics ; Composite number ; Physics Metal Alloys Wear and Properties ; Metallurgy and Material Forming ; Microstructure and Mechanical Properties of Steels
Authors: V C Dinesha
Source: World Journal of Advanced Research and Reviews (article, 2019-06-30)
Field: Materials Science — Polymers and Plastics

Effect of fiber orientation and volume fraction on the impact resistance of bio-composites This paper examines the current landscape of biodiesel blending for aviation applications, with a focus on technical The growing environmental consciousness and sustainability concerns have led to increased interest in bio-composite materials as alternatives to traditional synthetic fiber-reinforced composites. This study investigates the critical factors affecting the impact resistance of bio-composites, specifically focusing on fiber orientation and volume fraction effects. Natural fibers such as flax, hemp, jute, and kenaf have been extensively studied as reinforcement materials in polymer matrices, offering biodegradability and renewability advantages over synthetic fibers. The impact resistance of bio-composites is significantly influenced by fiber orientation angles, with unidirectional orientations typically providing superior performance compared to randomly oriented fibers. Volume fraction optimization plays a crucial role in maximizing impact energy absorption while maintaining structural integrity. This comprehensive review analyzes experimental data from various studies conducted between 2008 and 2017, examining the relationship between fiber orientation patterns, volume fractions, and impact resistance properties. The results indicate that optimal fiber orientations of 0°/90° and 45°/-45° configurations provide enhanced impact resistance, while volume fractions between 30-50% demonstrate the best balance of impact properties and processability. Understanding these relationships is essential for developing high-performance bio-composite materials for structural applications where impact resistance is critical. Materials science ; Composite material ; Volume fraction ; Fiber ; Kenaf ; Impact resistance ; Natural fiber ; Composite number ; Biocomposite ; Volume (thermodynamics) ; Synthetic fiber Natural Fiber Reinforced Composites ; Mechanical Engineering and Vibrations Research ; Plant Surface Properties and Treatments
Authors: Maria Julia Dietrich
Source: Lume (Universidade Federal do Rio Grande do Sul) (article, 2019-01-01)
Field: Chemistry — Inorganic Chemistry

Avaliação de revestimento nanocerâmico como alternativa ao cromatizante em arames de aço galvanizado indústria de galvanização por imersão a quente utiliza um processo de passivação a base de cromo hexavalente - altamente tóxico e poluente, representando perigo para seres humanos e outros sistemas biológicos - para formar um filme protetivo e aumentar a resistência à corrosão do revestimento de zinco. Considerando esse problema, tecnologias ambientalmente aceitáveis e livres de cromo vêm sendo desenvolvidas, como, por exemplo, os revestimentos nanocerâmicos. O presente trabalho avalia o revestimento nanocerâmico como alternativa ao cromatizante em arames de aço galvanizado em uma linha contínua de galvanização por imersão a quente de uma usina siderúrgica semi-integrada. Foram analisados três fatores controláveis fundamentais no processo - pH do banho de imersão, tempo de imersão e concentração do ácido hexafluorzircônio na solução -, utilizando dois conversores comerciais distintos. Realizaram-se ensaios de corrosão acelerada para analisar o desempenho do revestimento nanocerâmico, verificar seu comportamento nas diferentes soluções de imersão e comparar ao revestimento com cromo hexavalente utilizado na linha de galvanização. Além disso, realizou-se análise química qualitativa do revestimento a fim de evidenciar a presença de zircônio na superfície do substrato. Como resultado, tem-se que o revestimento nanocerâmico apresenta resistência similar à cromatização hexavalente da linha continua de galvanização nas primeiras horas de exposição à atmosfera úmida, entretanto, no decorrer do tempo pode haver diminuição das suas propriedades. Além disso, observou-se que camadas mais protetivas são obtidas com tempo de 60 segundos de imersão na solução de conversão. Os revestimentos nanocerâmicos à base de Zr, portanto, promovem a formação de revestimento protetor para os arames de aço galvanizado e, mesmo que proporcionem resistência à corrosão inferior à obtida com cromo hexavalente, podem vir a substituir a cromatização de modo não prejudicial ao meio ambiente. Philosophy Pigment Synthesis and Properties
Authors: Chaoyi Zhu
Source: eScholarship (California Digital Library) (article, 2019-01-01)
Field: Materials Science — Materials Chemistry

Multiscale Charaterization Techniques to Elucidate Mechanical Behavior of Materials Deformation of materials, especially metal alloys, is a heterogenous multiscale phenomenon. This is due to the complex synergetic effects of several different factors: macroscopic boundary conditions for the applied forces, anisotropy in the microstructure/crystallographic orientation, crystal slipping due to multiaxial stress state, non-isotropic interactions of dislocations, etc. To elucidate the complex deformation mechanism of metals and alloys, a variety of multiscale characterization techniques have been developed and applied. Defect density calculation is established based on the Nye dislocation density tensor that relates lattice curvature measured from electron backscatter diffraction to extract geometrically necessary dislocation density. Using this method, anisotropy effects in shear localization of metals is quantified using GND density calculation in 7039 aluminum alloy (grain morphological anisotropy) and high purity titanium (crystallographic anisotropy).The GND density characterization technique has also been used to validate Ashby’s model on dislocation type evolution by characterizing deformed nickel samples. This is the first experimental validation of Ashby’s model, which proves that the SSDs are the dominant materials’ strength contributor at higher applied loads. GNDs are only present at a larger amount in the early stage of deformation. To increase the sensitivity of the EBSD technique, reconstruction of 2D electron backscatter diffraction patterns into spherical Kikuchi map has been explored. It potentially enables more accurate orientation calculation for GND calculation as well as improved pattern center calibration and phase analysis.To characterize local strain distributed across the entire sample, new digital image correlation based on computer vision algorithm has been developed to show very accurate surface strain mapping of homogeneous/heterogeneously deformed materials (with artificially speckle patterns) by comparing with results obtained from open-source software. Moreover, this method also has shown improved strain sensitivity in analyzing samples using its own pattern (natural pattern), in comparison to the cross-correlation based DIC method.Microscopic residual stress and strain are more conveniently studies using HR-EBSD method. A new HR-EBSD method is developed by employing demons registration to remap reference pattern towards pattern to solve the phantom strain problem. Additionally, the rotation, stress, and strain sensitivity have been shown to be around 0.5×10-4, 35 MPa and 2×10-4, respectively. Electron backscatter diffraction ; Materials science ; Anisotropy ; Bauschinger effect ; Dislocation ; Condensed matter physics ; Isotropy ; Deformation (meteorology) ; Deformation mechanism ; Microstructure ; Composite material ; Plasticity ; Optics ; Physics Microstructure and mechanical properties ; Metallurgy and Material Forming ; Aluminum Alloy Microstructure Properties
Authors: Laurel Jones | Michael Tynes | Paul Smith
Source: Acta Crystallographica Section D Structural Biology (article, 2019-07-30)
Field: Materials Science — Materials Chemistry

Prediction of models for ordered solvent in macromolecular structures by a classifier based upon resolution-independent projections of local feature data Current software tools for the automated building of models for macromolecular X-ray crystal structures are capable of assembling high-quality models for ordered macromolecule and small-molecule scattering components with minimal or no user supervision. Many of these tools also incorporate robust functionality for modelling the ordered water molecules that are found in nearly all macromolecular crystal structures. However, no current tools focus on differentiating these ubiquitous water molecules from other frequently occurring multi-atom solvent species, such as sulfate, or the automated building of models for such species. PeakProbe has been developed specifically to address the need for such a tool. PeakProbe predicts likely solvent models for a given point (termed a `peak') in a structure based on analysis (`probing') of its local electron density and chemical environment. PeakProbe maps a total of 19 resolution-dependent features associated with electron density and two associated with the local chemical environment to a two-dimensional score space that is independent of resolution. Peaks are classified based on the relative frequencies with which four different classes of solvent (including water) are observed within a given region of this score space as determined by large-scale sampling of solvent models in the Protein Data Bank. Designed to classify peaks generated from difference density maxima, PeakProbe also incorporates functionality for identifying peaks associated with model errors or clusters of peaks likely to correspond to multi-atom solvent, and for the validation of existing solvent models using solvent-omit electron-density maps. When tasked with classifying peaks into one of four distinct solvent classes, PeakProbe achieves greater than 99% accuracy for both peaks derived directly from the atomic coordinates of existing solvent models and those based on difference density maxima. While the program is still under development, a fully functional version is publicly available. PeakProbe makes extensive use of cctbx libraries, and requires a PHENIX licence and an up-to-date phenix.python environment for execution. Solvent ; Electron density ; Macromolecule ; Maxima and minima ; Resolution (logic) ; Atom (system on chip) ; Protein Data Bank ; Molecule ; Crystal (programming language) ; Feature vector ; Classifier (UML) ; Chemical physics ; Biological system ; Chemistry ; Computer science ; Materials science ; Electron ; Artificial intelligence ; Physics ; Protein structure ; Mathematics ; Organic chemistry Enzyme Structure and Function ; Protein Structure and Dynamics ; Computational Drug Discovery Methods
Authors: Poonam
Source: The Pharma Innovation (article, 2019-01-01)
Field: Chemistry — Analytical Chemistry

Pharmaceutical analysis techniques The field of pharmaceutical analysis is paramount in ensuring the quality, safety, and efficacy of medicinal products. This research paper delves into various analytical techniques employed in pharmaceutical analysis to assess the identity, purity, potency, and stability of drugs. From classical methods such as titration and gravimetric analysis to modern instrumental techniques like chromatography, spectroscopy, and mass spectrometry, each method offers unique advantages in characterizing pharmaceutical compounds. Furthermore, advancements in technology have led to the development of sophisticated methodologies such as nuclear magnetic resonance (NMR) spectroscopy and imaging techniques for in-depth structural elucidation and formulation studies. This paper discusses the principles, applications, and challenges associated with these techniques, emphasizing their critical role in pharmaceutical research, development, and quality control processes. Computer science Analytical Methods in Pharmaceuticals ; Pharmaceutical studies and practices
Authors: Duncan Adamson | Argyrios Deligkas | В. Г. Гусев | И.И. Потапов
Source: arXiv (Cornell University) (preprint, 2019-10-26)
Field: Materials Science — Materials Chemistry

On the Hardness of Energy Minimisation for Crystal Structure Prediction Crystal Structure Prediction (csp) is one of the central and most challenging problems in materials science and computational chemistry. In csp, the goal is to find a configuration of ions in 3D space that yields the lowest potential energy. Finding an efficient procedure to solve this complex optimisation question is a well known open problem. Due to the exponentially large search space, the problem has been referred in several materials-science papers as "NP-Hard and very challenging" without a formal proof. This paper fills a gap in the literature providing the first set of formally proven NP-Hardness results for a variant of csp with various realistic constraints. In particular, we focus on the problem of removal: the goal is to find a substructure with minimal potential energy, by removing a subset of the ions. Our main contributions are NP-Hardness results for the csp removal problem, new embeddings of combinatorial graph problems into geometrical settings, and a more systematic exploration of the energy function to reveal the complexity of csp. In a wider context, our results contribute to the analysis of computational problems for weighted graphs embedded into the three-dimensional Euclidean space. Substructure ; Euclidean space ; Computational complexity theory ; Euclidean geometry ; Context (archaeology) ; Computer science ; Combinatorial optimization ; Algorithm ; Theoretical computer science ; Mathematical optimization ; Mathematics ; Combinatorics ; Geometry ; Engineering Machine Learning in Materials Science ; Graph Theory and Algorithms ; X-ray Diffraction in Crystallography
Authors: Josh Lawrimore
Source: Carolina Digital Repository (University of North Carolina at Chapel Hill) (article, 2019-08-13)
Field: Chemistry — Analytical Chemistry

BIOLOGICAL CONSEQUENCES OF CHROMATIN LOOPING IN PERICENTRIC CHROMATIN During mitosis, replicated sister chromatids are attached to opposite sides of a microtubule spindle at their centromeres in a process called biorientation. The proteinaceous structure that links centromeres, a region of the chromosome, to the spindle is called the kinetochore. Tension within kinetochores of bioriented chromosomes is thought to be crucial for accurate chromosome segregation. The simplest method of generating tension within kinetochores in bioriented chromosomes would be sister chromatid cohesion at the centromere. However, across phylogeny, sister centromeres are separated by 800-1000 nm. Using Saccharomyces cerevisiae, we explore how pericentric chromatin, the 20-50 kb region surrounding the centromere, is organized to allow for tension to be generated and regulated at the centromere during mitosis. Pericentric chromatin is enriched in the ring-like protein complexes condensin and cohesin. We find that the pericentromeric region contains several of chromatin loops formed by condensin and cross-linked by cohesin. Simulations of chromatin loops recapitulate the experimental observation that fluorescently labeled regions within pericentric chromatin to appear as compact foci radially displaced from, i.e. above or below, the sister kinetochore. Live-cell imaging experiments with a dicentric plasmid, a circular double stranded DNA molecule that can biorient without replication due to the presence of two centromeres, illustrated the mitotic spindle has sufficient force to extend chromatin during metaphase. Simulations revealed that chromatin loops isolate tension to a geometric subset of chromatin that is directly in between, not above or below, sister kinetochores. Thus, the majority of pericentric chromatin, which is contained in compact loops, is under reduced tension. Additionally, chromatin loops explain the distributions of pericentric cohesin and condensin. Cohesin’s radial, barrel-like distribution is due to its ability to diffuse to the radial tips of the loops. Condensin’s ability to form chromatin loops requires condensin to bind to the high-tension chromatin on either side of the low-tension loop, forcing condensin to colocalize with the axial, high-tension chromatin. Chromatin loops recapitulate experimental observations of pericentric chromatin and provide an elegant mechanism for tension modulation at the centromere during mitosis. Chromatin ; Genetics ; Biology ; Computational biology ; DNA Chromatography in Natural Products ; Analytical Chemistry and Chromatography ; Microbial Metabolic Engineering and Bioproduction
Authors: Muhammed Yusuf Çağlar | Mehmet Demirci | Abdulkadir Şahiner | Bilal Çakır | Ahmet Furkan Çağlar
Source: Akademik Gıda (article, 2019-03-26)
Field: Chemistry — Analytical Chemistry

Gıda Analizlerinde Kullanılan Spektroskopik Teknikler Gıdalar,&#x0D; hammaddenin tedarik edilmesinden son ürünün eldesine kadar geçen süreçte, raf&#x0D; ömrünün uzatılması, tekstür, tat veya aroma iyileştirilmesi ya da maliyetin&#x0D; düşürülmesi gibi çeşitli istemlerle veya istem dışı; fiziksel ya da kimyasal&#x0D; müdahalelere maruz kalmaktadır. Bu müdahalelerin tüketicinin sağlığı ve refahı&#x0D; açısından İslami boyutlarda takibi ve denetimi, helal gıda konsepti kapsamına&#x0D; girmektedir. Günümüzde gelişen teknolojiye paralel olarak üreticilerin haksız&#x0D; kazanç elde etme istekleri gibi sebeplerden ötürü gıda üretiminde taklit ve&#x0D; tağşiş oranları giderek artmaktadır. Bu derlemede, helal gıda üretimi ve&#x0D; takibinde önem arz eden ve doğrulama ve tağşiş belirlenmesi amacıyla kullanılan&#x0D; vibrasyonel spektroskopik yöntemlerden yakın kızılötesi spektroskopisi (NIR),&#x0D; Fourier dönüşümlü kızıl ötesi spektroskopi (FTIR), Raman spektroskopisi (RS) ve&#x0D; üstün uzaysal görüntüleme (HSI) metotları çalışma prensipleri ve gıda grupları&#x0D; bazında ele alınmıştır. Chemistry ; Food science Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Irfanullah Khan | Muhammad Ahtasham Abid | Zahid Ullah | Arooj Rashid
Source: Engineering and Applied Science Letters (article, 2019-06-17)
Field: Materials Science — Materials Chemistry

Effect of filler on solid insulator surface and tracking length in high voltage systems This paper presents the effect of different fillers on tracking length of electrical insulators. Insulator samples were prepared using polyester resin-c and were tested according to ASTM D2302. A standard test known as "Inclined plane test" is used to test the insulators after the application of high stresses. Track length of each sample is measured using a Polari scope. Track length of filler added insulators is compared to the insulator without filler and a significant change was noted among them. Insulator (electricity) ; Materials science ; Composite material ; Filler (materials) ; Tracking (education) ; Inclined plane ; Polyester ; Mechanical engineering ; Engineering High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Electrical Fault Detection and Protection
Authors: Jean Andrade Barbosa
Source: LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas) (article, 2019-02-15)
Field: Materials Science — Polymers and Plastics

Determinação experimental dos limites de inflamabilidade do farnesano, querosene de aviação e misturas em pressões reduzidas Submitted by Jean Andrade Barbosa (jeanandrabarbosa@gmail.com) on 2019-03-12T02:23:50Z&#13;\nNo. of bitstreams: 1&#13;\nDissertação Jean A. Barbosa Final.pdf: 3930749 bytes, checksum: b477aeb5ee7c91fc6ab4d5e4983d6930 (MD5) Humanities ; Art Textile materials and evaluations ; Transport Systems and Technology