jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhiqiang Gao | Cheng Chang | Yunping Zhu | Yan Fu
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2018-08-24)
Field: Chemistry — Spectroscopy

Integrated modeling of peptide digestion and detection for the prediction of proteotypic peptides in targeted proteomics ABSTRACT Motivation The selection of proteotypic peptides, i.e., detectable unique representatives of proteins of interest, is a key step in targeted shotgun proteomics. To date, much effort has been made to predict proteotypic peptides in the absence of mass spectrometry data. However, the performance of existing tools is still unsatisfactory. One crucial reason is their neglect of the close relationship between protein proteolytic digestion and peptide detection. Results We present an algorithm (named AP3) that firstly considers peptide digestion probability as a feature for proteotypic peptide prediction and demonstrated peptide digestion probability is the most important feature for accurate prediction of proteotypic peptides. AP3 showed higher accuracy than existing tools and accurately predicted the proteotypic peptides for a targeted proteomics assay, showing its great potential for assisting the design of targeted proteomics experiments. Availability and Implementation Freely available at http://fugroup.amss.ac.cn/software/AP3/AP3.html . Contact yfu@amss.ac.cn or zhuyunping@gmail.com Supplementary Information Supplementary data are available at Bioinformatics online. Peptide ; Proteomics ; Shotgun proteomics ; Computational biology ; Digestion (alchemy) ; Chemistry ; Computer science ; Biochemistry ; Biology ; Gene ; Chromatography Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Identification and Quantification in Food
Authors: James E. Bevins | Rachel Slaybaugh
Source: arXiv (Cornell University) (preprint, 2018-04-15)
Field: Materials Science — Materials Chemistry

Gnowee: A Hybrid Metaheuristic Optimization Algorithm for Constrained,\n Black Box, Combinatorial Mixed-Integer Design This paper introduces Gnowee, a modular, Python-based, open-source hybrid\nmetaheuristic optimization algorithm (Available from\nhttps://github.com/SlaybaughLab/Gnowee). Gnowee is designed for rapid\nconvergence to nearly globally optimum solutions for complex, constrained\nnuclear engineering problems with mixed-integer and combinatorial design\nvectors and high-cost, noisy, discontinuous, black box objective function\nevaluations. Gnowee's hybrid metaheuristic framework is a new combination of a\nset of diverse, robust heuristics that appropriately balance diversification\nand intensification strategies across a wide range of optimization problems.\n This novel algorithm was specifically developed to optimize complex nuclear\ndesign problems; the motivating research problem was the design of material\nstack-ups to modify neutron energy spectra to specific targeted spectra for\napplications in nuclear medicine, technical nuclear forensics, nuclear physics,\netc. However, there are a wider range of potential applications for this\nalgorithm both within the nuclear community and beyond. To demonstrate Gnowee's\nbehavior for a variety of problem types, comparisons between Gnowee and several\nwell-established metaheuristic algorithms are made for a set of eighteen\ncontinuous, mixed-integer, and combinatorial benchmarks. These results\ndemonstrate Gnoweee to have superior flexibility and convergence\ncharacteristics over a wide range of design spaces. We anticipate this wide\nrange of applicability will make this algorithm desirable for many complex\nengineering applications.\n Metaheuristic ; Computer science ; Mathematical optimization ; Tabu search ; Heuristics ; Algorithm ; Combinatorial optimization ; Optimization problem ; Range (aeronautics) ; Mathematics ; Engineering Graphite, nuclear technology, radiation studies ; Nuclear reactor physics and engineering ; Nuclear and radioactivity studies
Authors: Gilson Eduardo Tarrento
Source: LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas) (article, 2018-08-03)
Field: Materials Science — Materials Chemistry

Retificação por corte interrompido do aço temperado ABNT 4340, com rebolo de CBN, utilizando refrigeração abundante e alta velocidade Submitted by Gilson Eduardo Tarrento (gilsonet@feb.unesp.br) on 2018-08-25T20:40:55Z&#13;\nNo. of bitstreams: 1&#13;\nTARRENTO_GE_DR_BAURU.pdf: 6554743 bytes, checksum: 2f4ac74e469d2a009a1176a7b92b23f7 (MD5) Humanities ; Philosophy Metal Alloys Wear and Properties ; Metallurgical Processes and Thermodynamics
Authors: Kacper Biłko
Source: CERN Document Server (European Organization for Nuclear Research) (article, 2018-12-18)
Field: Materials Science — Materials Chemistry

Detailed analysis of the evolution and distribution of the total ionising dose in the LHC arc sections during the accelerator operation Continuous particle losses are an integral part of each accelerator operation. Even though they are only a very small fraction of the total intensity, they result in the occurrence of the mixed radiation fields that are hazardous for the reliability and lifespan of equipment including electronic devices. Especially at high energy and high intensity accelerators, like the accelerators at CERN, the mixed radiation fields can influence the operation. With focus on the Large Hadron Collider's (LHC) arc sections, where the magnets structure is a periodic FODO lattice, the total ionising dose distribution has been analysed. The LHC is equipped with a beam loss monitoring system that is used in order to ensure safety of the accelerator's apparatus, however it also provides high resolution dose measurements, both in space and time. The studies of the data presented in this work shows that among regular baseline radiation levels, spikes can be observed. They exceed the baseline levels by up to three orders of magnitude. The location, evolution and cause of these radiation spikes and general baseline behaviour are investigated in detail. For this analysis data from the beam loss monitoring system was used with the separation between the different beam modes of the LHC proton-proton operation from Run 2, that spans over the years 2015-2018. Arc (geometry) ; Nuclear physics ; Nuclear engineering ; Physics ; Engineering ; Mechanical engineering Fusion materials and technologies ; Vacuum and Plasma Arcs ; Nuclear Materials and Properties
Authors: May Zin Oo | Mya Thandar Kyu
Source: International Journal of Trend in Scientific Research and Development (article, 2018-08-31)
Field: Chemistry — Analytical Chemistry

Fruit Classification and Calories Measurement System Now a day, people around the world are becoming more sensitive to their diet. Fruits contribute to an essential part of the diet because they are a major source of energy, vitamins, fiber, plant chemicals nutrients. Fruits are naturally low in fat, sodium & calories and rich in potassium and fiber, vitamin C. The proposed system gives quickly how much calories present in their diet or fruit intake that can be very useful to maintain health without expe advice. The system will take the images of fruit and using image processing, segmentation and classification it calculates the calorie content in the fruit. This work proposes an algorithm for fruit recognition and its calorie measurement base image features such as shape, color and texture. For shape based feature extraction the geometrical region parameters like area, major axis and minor axis are calculated. For color based segmentation the K Clustering method is used. The gray occurrence matrix (GLCM) is used to calculate different texture features. The user just takes a picture of the fruit image then to recognize the image to detect the type of fruit portion and classify using support vector machine. After classifying the fruit, the calorie of each fruit with generally for 100g are derived using standard calories table. Calorie ; Statistics ; Mathematics ; Computer science ; Biology Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Advanced Chemical Sensor Technologies
Authors: Leila Mousaei Kordshami | Mozhgan Abbasi | Ali Jafari
Source: Journal of Geospatial Information Technology (article, 2018-09-01)
Field: Chemistry — Analytical Chemistry

The spectral behavior of trees affected by traffic pollution using filed spectroscopy Spectroscopy ; Environmental science ; Pollution ; Physics ; Ecology ; Biology Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture ; Water Quality Monitoring and Analysis
Authors: K. P. Portna | S. O. Vasyuk
Source: Farmatsevtychnyi zhurnal (article, 2018-09-04)
Field: Chemistry — Organic Chemistry

Quantitative determination of glycine in pharmaceutical formulations by reaction with 2,3-dichlor-1,4-naphthoquinone reagent Glycine has been reported to be determined by different techniques including titrimetric methods, VIS spectrophotometry. Some of the proposed methods require inaccessible reagents, others – difficult in execution or offered only for substances. That is why, feasibility of developing new, simple, valid methods for the glycine quantitative determination in medical forms is not in doubt.&#x0D; This paper presents a new, simple and accurate VIS spectrophotometric method for determining of glycine in pharmaceutical formulation using 2,3-dichlor-1,4-naphthoquinone as a reagent.&#x0D; Pharmaceutical preparations: capsules of Doppel Herz, 0,50 g (Queisser Pharma Gmbh &amp; Co, Germany); powder in packets Medichronalum-Darnitsa, 7,00 g (Pharmaceutical company «Darnitsa», Ukraine); tablets of Glycin («Biotiki», Russia).and Glicised («Arterium», Ukraine), 0,10 g.&#x0D; Analytical balance (ABT-120-5DM); UV-VIS spectrophotometer (Specord 200); water bath (Memmert WNB 7-45).&#x0D; The aliquot part (0,1200‒0,2000 g) of the glycine is put into a 25,00 ml volumetric flask, add 7,00 ml water and filled to the mark with DMF. The amount of 1,00 ml of the resulted solution is poured into a 25,00 ml volumetric flask, then treated with 2,50 ml of 1% solution of the 2,3-dichlor-1,4-naphthoquinone and mixed up. A received solution is heated up for 15 minutes on the water-bath under temperature of 95 °С, then is cooled down and filled to the mark with the DMF. Absorbance of the test solution is measured at 470 nm against the background of the compensation solution that does not contain any test solution.&#x0D; Defined minimum calculated by common method is 3,20 mcg/ml.&#x0D; Experimentally determined glycine optimal reaction conditions with the 2,3-dichlor-1,4-naphthoquinone as the basis for the development of spectrophotometric methods for glycine quantitative determination in the 4 drug dosage forms.&#x0D; The analytical method was optimized and validated by establishing the linearity (in the range of 5,00‒8,00 mg/100 ml), the correlation coefficient (r = 1,000), precision and the accuracy.&#x0D; Thus, the peculiarity of the developed method consists in it’s enhanced sensitivity in comparison with other available methods of quantitative determination. The developed method is simple and useful for routine analysis of glycine in pharmaceutical formulations and in-process quality control. Reagent ; Chemistry ; Chromatography ; Absorbance ; Glycine ; Spectrophotometry ; 1,4-Naphthoquinone ; Nuclear chemistry ; Organic chemistry ; Biochemistry Synthesis and Characterization of Heterocyclic Compounds ; Chemical Reactions and Isotopes ; Synthesis and Reactions of Organic Compounds
Authors: Mohammed Aliedeh
Source: JORDANIAN JOURNAL OF ENGINEERING AND CHEMICAL INDUSTRIES (JJECI) (article, 2018-12-01)
Field: Materials Science — Materials Chemistry

Avoiding Being Trapped in False Analogical Modeling ofComposite Wall Thermal Resistance Because Analogy is considered as a double-edged sword, thermal engineers should be cautious in analogical maneuvering between electrical and thermal domains in order not to be slipped into building misconceptions about thermal resistance concept. Composite wall thermal resistance (CWTR) modeling is one of the practical examples that illustrates the probability of misusing analogy. Heat transfer undergraduate textbooks coverage of CWTR suffers a lean towards “cookbook” coverage that reports concise statements that lack deep clarification and illustration. Transparent Thinking Approach (TTA) is employed to present a detailed calculation and illustration of a typical CWTR modeling based on isothermal and adiabatic assumptions. The calculation of a typical CWTR for different values of wall thermal conductivities shows that the difference in parallel walls thermal conductivity is creating a large discrepancy that may reach 80% between heat flows calculated based on isothermal and adiabatic assumptions. It is found that for a series-parallel arrangement of composite walls with high difference in parallel wall thermal conductivity values, the true value of heat flow is bracketed between the isothermal and adiabatic heat flow values. The transparent way of presenting CWTR modeling can be readily included in any standard heat transfer textbook and result in greatly enhancing CWTR modeling coverage. Adiabatic process ; Thermal conductivity ; Adiabatic wall ; Isothermal process ; Thermal resistance ; Analogy ; Heat transfer ; Thermal ; Thermodynamics ; Mechanics ; Composite number ; Materials science ; Computer science ; Physics ; Composite material Thermal properties of materials ; Heat Transfer and Optimization ; Geothermal Energy Systems and Applications
Authors: Yanjun Xi | Xianzhe Li | Yongjun Liu | Ying Liu | Xiaoyan Guan | Haiqing Jiang
Source:  (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

Preliminary Study Influence of Wear on High Temperature Oxidation Performance of U71Mn Rail Steel The objective of this study is to preliminary explore the effect of wear on high temperature oxidation performance of U71Mn rail steel. The specimens was tested at 500 N on abrasion testing machine, and then performed at high temperature in the furnace. The surface and cross section was investigated by SEM with EDS. Oxide phase was analysized by XRD. The results showed that deep scratches on wear samples cause the oxide film to fall off seriously, so that the weight gains at high temperature is smaller than that of the non-wear samples. The oxide is rough, unstable and exfoliated easily. The oxidation rate of U71Mn after wear is higher than that without wear. Therefore, the high temperature caused by frequent friction plays an important role in the service life of high-speed trains. Materials science ; Automotive engineering ; Metallurgy ; Computer science ; Engineering Metal Alloys Wear and Properties ; Railway Engineering and Dynamics ; High-Temperature Coating Behaviors
Authors: A.A. Adly | Salwa K. Abd–El–Hafiz | Abdelmomen Mahgoub
Source: AIP Advances (article, 2018-01-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A wave shaping approach of ferrite inductors exhibiting hysteresis using orthogonal field bias Advances in power electronic systems have considerably contributed to a wide spectrum of applications. In most power electronic circuits, inductors play crucial functions. Utilization of ferrite cores becomes a must when large inductances are required. Nevertheless, this results in an additional complexity due to their hysteresis nature. Recently, an efficient approach for modeling vector hysteresis using tri-node Hopfield neural networks (HNNs) has been introduced. This paper presents a wave shaping approach using hollow cylindrical ferrite core inductors having axial and toroidal windings. The approach investigates the possibility of tuning the inductor permeability to minimize circuit harmonics. Details of the approach are given in the paper. Inductor ; Ferrite core ; Harmonics ; Electromagnetic coil ; Electronic circuit ; Ferrite (magnet) ; Toroid ; Hysteresis ; Electronic engineering ; Topology (electrical circuits) ; Computer science ; Materials science ; Electrical engineering ; Physics ; Engineering ; Voltage ; Condensed matter physics Magnetic Properties and Applications ; Electric Motor Design and Analysis ; Model Reduction and Neural Networks
Authors: I. R. F. Souza | Luiz Carlos Lobato dos Santos | Luiz Mário Nelson de Góis
Source: Brazilian Journal of Petroleum and Gas (article, 2018-10-17)
Field: Chemistry — Analytical Chemistry

PRESSURE DROP MODELS FOR PARAFFINIC OIL FLOW Wax deposition is a common phenomenon that occurs when crude oil flows in a pipeline. It is one of the main problems related to flow maintenance, because it leads to flux limitation and pressure drop increase. In addition, it can produce major damage to equipment, creating high-risk in operation or even a complete shutdown of production, impacting profitability negatively. Thus, this research aims to show pressure drop models based on Darcy-Weisbach and Power Fluid model for single-phase flow of paraffinic oils in horizontal lines. It will investigate aspects such as different flows, outdoor temperatures, and the BSW (Basic Sediments and Water) values observing their influence on flow pressure. Experimental data from paraffinic oil wells were used to validate the models. The results showed good fit of the models to the data of the eight experiments, with high values of adequacy coefficient (R2) above 0.97. Experiments with higher BSW content and lower ambient temperature had a greater impact on the pressure drop, being well represented by the two models. Pressure drop ; Flow coefficient ; Petroleum engineering ; Pipeline transport ; Flow (mathematics) ; Drop (telecommunication) ; Environmental science ; Mechanics ; Engineering ; Environmental engineering ; Mechanical engineering Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Hydrocarbon exploration and reservoir analysis
Authors: Rami Mowakeaa | Darren K. Emge
Source:  (article, 2018-06-08)
Field: Chemistry — Analytical Chemistry

Separation of small targets in multi-wavelength mixtures based on statistical independence Small target detection is a problem common to a diverse number of ﬁelds such as radar, remote sensing, and infrared imaging. In this paper, we consider the application of feature extraction for detection of small hazardous materials in multiwavelength imaging. Since various materials may exist in the area of study each with varying degrees of reﬂectivity and absortion at diﬀerent wavelengths of light, ﬂexible, data-driven methods are needed for feature extraction of relevant sources. We propose the use of independent component analysis (ICA), a widely-used blind source separation method based on the statistical independence of the underlying sources. We compare 3 diﬀerent prominent ﬂavors of ICA on simulated data in a variety of environments. Then, we apply ICA to 2 multi-wavelength imaging datasets with results that suggest that features extracted are useful. Independent component analysis ; Blind signal separation ; Computer science ; Independence (probability theory) ; Feature extraction ; Pattern recognition (psychology) ; Artificial intelligence ; Feature (linguistics) ; Separation (statistics) ; Source separation ; Wavelength ; Component (thermodynamics) ; Machine learning ; Mathematics ; Telecommunications ; Statistics ; Physics ; Optics Spectroscopy and Chemometric Analyses ; Blind Source Separation Techniques ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Runmin Yang | Daming Zhu
Source: BMC Genomics (article, 2018-09-01)
Field: Chemistry — Spectroscopy

A graph-based filtering method for top-down mass spectral identification Experimental results on the data sets show that the SGM filtering method achieves high sensitivity in protein sequence filtration. When coupled with a spectral alignment algorithm, the SGM filtering method significantly increases the number of identified proteoform spectrum-matches compared with the tag-based methods in top-down mass spectrometry data analysis. Preprocessor ; Computer science ; Sequence database ; Graph ; Database search engine ; Set (abstract data type) ; Mass spectrometry ; Filter (signal processing) ; Identification (biology) ; Algorithm ; Search engine ; Data mining ; Artificial intelligence ; Biology ; Information retrieval ; Chemistry ; Genetics ; Gene ; Theoretical computer science Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Genomics and Phylogenetic Studies
Authors: P. Lesiak | A. Sokołowski
Source: Problemy Kolejnictwa (article, 2018-09-01)
Field: Materials Science — Materials Chemistry

Preprocessing Algorithms of Vision Research Damage to Concrete Railway Sleepers Th e paper presents algorithms for the preprocessing of the visual method of detecting damages of concrete railway sleepers. It starts with acquiring images of the surface of the sleepers, by selecting the recorded frames of the images. Th en, the color image is transformed into monochrome, so as to obtain the highest contrast possible. Th e Kanan and Cottrell algorithms were used for this purpose. A simple way is to segment the damage images of the sleepers, by thresholding, in order to binarize them. However, more elaborate algorithms are recommended. For this purpose, images are denoted using a median fi lter and further morphological operations to extract the edge of damage. For this purpose, noise is removed from images using a median fi lter, and morphological operations are carried out, to extract the edge of damage. In addition, texture images of the surface of the sleepers are used, removing them from the visual content. As the criterion for selecting the preprocessing algorithm, the shape of the image histogram and its standard deviation were assumed. Such prepared images form the basis for further assessment of the size of damages (cracks and voids) and classifi cation of concrete sleepers. Preprocessor ; Computer science ; Artificial intelligence ; Algorithm ; Engineering ; Forensic engineering Material Properties and Failure Mechanisms ; Transportation Systems and Logistics ; Advanced Research in Systems and Signal Processing
Authors: S. Kovalevskyy | O. Kovalevska
Source: Scientific journal of the Ternopil national technical university (article, 2018-01-31)
Field: Materials Science — Materials Chemistry

Imitation modeling for the investigation of the loaded lock of mobile versta – work In this article the issues of dynamic analysis of the executive branch of the machine system are considered. The analysis of the design scheme consisting of the spatial system, suspended in space on the flexible elements, was carried out. The mathematical description of the harmonic oscillator, which is the executive link of the mobile machine, is obtained. A simulation model was created in the Simulink computer environment to study the dynamics of the loaded executive of the mobile machine. The reaction of the model to forced harmonic oscillations, which has quasi-random character, with sinusoidal influence, is obtained. The obtained result suggests that in the operating unit of the mobile machine there are oscillations with a wide frequency and amplitude spectrum, which can cause resonance of elements of the technological system in a wide frequency range. Lock (firearm) ; Imitation ; Work (physics) ; Computer science ; Human–computer interaction ; Psychology ; Engineering ; Social psychology ; Mechanical engineering High-Velocity Impact and Material Behavior ; Nonlinear Waves and Solitons ; Fluid Dynamics Simulations and Interactions