jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ryosuke Kaneko | Michio Kadota | Yuji Ohashi | Jun‐ichi Kushibiki | Shinsuke Ikeuchi | Shuji Tanaka
Source: Micromachines (article, 2018-10-29)
Field: Materials Science — Materials Chemistry

Investigation of Material Constants of CaTiO3 Doped (K,Na)NbO3 Film by MEMS-Based Test Elements A CaTiO₃-doped (K,Na)NbO₃ (KNN-CT) film is a lead-free piezoelectric film that is expected to substitute Pb(Zr,Ti)O₃ (PZT) film in piezoelectric micro electro mechanical systems (MEMS). However, the full set of the material constants (elastic constants, piezoelectric constants and dielectric constants) of the KNN-CT film have not been reported yet. In this study, all the material constants of a sputter-deposited blanket KNN-CT film were investigated by the resonance responses of MEMS-based piezoelectric resonators and the phase velocities of leaky Lamb waves on a self-suspended membrane. The phase velocities measured by a line-focus-beam ultrasonic material characterization (LFB-UMC) system at different frequencies were fitted with theoretical ones, which were calculated from the material constants, including fitting parameters. A genetic algorithm was used to find the best-fitting parameters. All the material constants were then calculated. Although some problems arising from the film quality and the nature of deliquescence are observed, all the material constants were obtained exhibiting accuracy within 16 m/s in the phase velocity of leaky Lamb wave. Materials science ; Piezoelectricity ; Dielectric ; Resonator ; Doping ; Microelectromechanical systems ; Characterization (materials science) ; Phase (matter) ; Lamb waves ; Blanket ; Sputtering ; Composite material ; Thin film ; Optics ; Optoelectronics ; Nanotechnology ; Chemistry ; Surface wave Ferroelectric and Piezoelectric Materials ; Acoustic Wave Resonator Technologies ; Ultrasonics and Acoustic Wave Propagation
Authors: Bo Zhou | Yiwu Yan | Yang Wang | Sungyong You | Michael R. Freeman | Wei Yang
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2018-10-18)
Field: Chemistry — Spectroscopy

Quantitative Proteomic Analysis of Prostate Tissue Specimens Identifies Deregulated Protein Complexes in Primary Prostate Cancer Abstract Prostate cancer (PCa) is the most frequently diagnosed non-skin cancer and a leading cause of mortality among males in developed countries. However, our understanding of the global changes of protein complexes within PCa tissue specimens remains very limited, although it has been well recognized that protein complexes carry out essentially all major processes in living organisms and that their deregulation drives the pathogenesis and progression of various diseases. By coupling tandem mass tagging-synchronous precursor selection-mass spectrometry/mass spectrometry/mass spectrometry (TMT-SPSMS3) with differential expression and co-regulation analyses, the present study compared the differences between protein complexes in normal prostate, low-grade PCa, and high-grade PCa tissue specimens. Globally, a large downregulated putative protein-protein interaction (PPI) network was detected in both low-grade and high-grade PCa, yet a large upregulated putative PPI network was only detected in high-grade but not low-grade PCa, compared with normal controls. To identify specific protein complexes that are deregulated in PCa, quantified proteins were mapped to protein complexes in CORUM, a collection of experimentally verified mammalian protein complexes. Differential expression analysis suggested that mitochondrial ribosomes and the fibrillin-associated protein complex were significantly overexpressed, whereas the ITGA6-ITGB4-Laminin10/12 and the P2X7 receptor signaling complexes were significantly downregulated, in PCa compared with normal prostate. Moreover, differential co-regulation analysis indicated that the assembly levels of some nuclear protein complexes involved in RNA synthesis and processing were significantly increased in low-grade PCa, and those of mitochondrial complex I and its subcomplexes were significantly increased in high-grade PCa, compared with normal prostate. In summary, the study represents the first global and quantitative comparison of protein complexes in prostate tissue specimens. It is expected to enhance our understanding of the molecular mechanisms underlying PCa development and progression in human patients, as well as lead to the discovery of novel biomarkers and therapeutic targets for precision management of PCa. Prostate cancer ; Prostate ; Downregulation and upregulation ; Biology ; Proteomics ; Tandem mass tag ; Pathogenesis ; Cancer research ; Cancer ; Chemistry ; Quantitative proteomics ; Gene ; Immunology ; Biochemistry ; Genetics Advanced Proteomics Techniques and Applications ; Prostate Cancer Treatment and Research ; Mass Spectrometry Techniques and Applications
Authors: Aaron R. Dinner | Jonathan C. Mattingly | Jeremy O. B. Tempkin | Brian Van Koten | Jonathan Weare
Source: SIAM Review (preprint, 2018-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Trajectory Stratification of Stochastic Dynamics We present a general mathematical framework for trajectory stratification for simulating rare events. Trajectory stratification involves decomposing trajectories of the underlying process into fragments limited to restricted regions of state space (strata), computing averages over the distributions of the trajectory fragments within the strata with minimal communication between them, and combining those averages with appropriate weights to yield averages with respect to the original underlying process. Our framework reveals the full generality and flexibility of trajectory stratification, and it illuminates a common mathematical structure shared by existing algorithms for sampling rare events. We demonstrate the power of the framework by defining strata in terms of both points in time and path-dependent variables for efficiently estimating averages that were not previously tractable. Stratification (seeds) ; Trajectory ; Generality ; Mathematics ; Computer science ; Stochastic process ; Flexibility (engineering) ; Applied mathematics ; Mathematical optimization ; Statistics Advanced Physical and Chemical Molecular Interactions ; Scientific Research and Discoveries ; Mass Spectrometry Techniques and Applications
Authors: Fatoş Ceren Akinci | Hatice Kübra Kaynak | Yasemin Korkmaz
Source: Tekstil ve Mühendis (article, 2018-09-30)
Field: Materials Science — Polymers and Plastics

Filament İnceliği ve Atkı Sıklığının Mikrofilament Dokuma Kumaşlarda Geçirgenlik Özelliklerine Etkileri ÖZET: Protein filament ; Materials science ; Polymer science ; Physics ; Composite material Textile materials and evaluations ; Public Spaces through Art ; Dyeing and Modifying Textile Fibers
Authors: Petr V. Nazarov | Anke Wienecke-Baldacchino | Andreï Zinovyev | Urszula Czerwińska | Arnaud Müller | Dorothée Nashan | Gunnar Dittmar | Francisco Azuaje | Stephanie Kreis
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2018-08-20)
Field: Materials Science — Materials Chemistry

Independent component analysis provides clinically relevant insights into the biology of melanoma patients ABSTRACT The integration of publicly available and new patient-derived transcriptomic datasets is not straightforward and requires specialized approaches to deal with heterogeneity at technical and biological levels. Here we present a methodology that can overcome technical biases, predict clinically relevant outcomes and identify tumour-related biological processes in patients using previously collected large reference datasets. The approach is based on independent component analysis (ICA) – an unsupervised method of signal deconvolution. We developed parallel consensus ICA that robustly decomposes merged new and reference datasets into signals with minimal mutual dependency. By applying the method to a small cohort of primary melanoma and control samples combined with a large public melanoma dataset, we demonstrate that our method distinguishes cell-type specific signals from technical biases and allows to predict clinically relevant patient characteristics. Cancer subtypes, patient survival and activity of key tumour-related processes such as immune response, angiogenesis and cell proliferation were characterized. Additionally, through integration of transcriptomes and miRNomes, the method identified biological functions of miRNAs, which would otherwise not be possible. Independent component analysis ; Computer science ; Deconvolution ; Component (thermodynamics) ; Tumour heterogeneity ; Computational biology ; Dependency (UML) ; Artificial intelligence ; Pattern recognition (psychology) ; Data mining ; Cancer ; Biology ; Algorithm Anodic Oxide Films and Nanostructures ; Advanced biosensing and bioanalysis techniques ; Gene expression and cancer classification
Authors: Cheng Chang | Zhiqiang Gao | Wantao Ying | Yan Zhao | Yan Fu | Songfeng Wu | Mengjie Li | Guibin Wang | Xiaohong Qian | Yunping Zhu | Fuchu He
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2018-05-23)
Field: Chemistry — Spectroscopy

LFAQ: towards unbiased label-free absolute protein quantification by predicting peptide quantitative factors Abstract Mass spectrometry (MS) has become a prominent choice for large-scale absolute protein quantification, but its quantification accuracy still has substantial room for improvement. A crucial issue is the bias between the peptide MS intensity and the actual peptide abundance, i.e., the fact that peptides with equal abundance may have different MS intensities. This bias is mainly caused by the diverse physicochemical properties of peptides. Here, we propose a novel algorithm for label-free absolute protein quantification, LFAQ, which can correct the biased MS intensities by using the predicted peptide quantitative factors for all identified peptides. When validated on datasets produced by different MS instruments and data acquisition modes, LFAQ presented accuracy and precision superior to those of existing methods. In particular, it reduced the quantification error by an average of 46% for low-abundance proteins. Peptide ; Quantitative proteomics ; Mass spectrometry ; Label-free quantification ; Chemistry ; Quantitative analysis (chemistry) ; Abundance (ecology) ; Biological system ; Chromatography ; Proteomics ; Biology ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Igor L. Shabalin
Source: Powder Metallurgy аnd Functional Coatings (article, 2018-12-15)
Field: Materials Science — Materials Chemistry

Prospects of nanotechnology and materials design on the basis of refractory compounds As a matter of discussion, the prospects for the development of high-temperature ceramic materials science are considered. The paper provides a rationale for developing hetero-modulus ceramic composites as a possibility to implement the unique physicochemical properties of refractory compounds (carbides, nitrides, borides, etc.) under the conditions of their application at high and ultra-high temperatures. The prospects of nanotechnology-based approach to the preparation of similar materials in engineering practice are shown. Ceramic ; Materials science ; Refractory (planetary science) ; Carbide ; Nanotechnology ; Refractory metals ; Nitride ; Metallurgy MXene and MAX Phase Materials ; Advanced ceramic materials synthesis ; Advanced materials and composites
Authors: Zhongliu Zhou | Yuanxiang Zhou | Xin Huang | Yunxiao Zhang | Mingyuan Wang | Shaowei Guo
Source: Energies (article, 2018-07-01)
Field: Materials Science — Materials Chemistry

Feature Extraction and Comprehension of Partial Discharge Characteristics in Transformer Oil from Rated AC Frequency to Very Low Frequency The reactive current can be reduced effectively by decreasing the frequency of the voltage in partial discharge (PD) test, especially for equipment with large capacitance. Thus, the cost and volume of the test power supply can be economized. To figure out the difference of PD characteristics in transformer oil between rated alternating-current (AC) frequency (50 Hz) and low frequency, tests are conducted from rated AC frequency to very low frequency (0.1 Hz) based on impulse current method. The results show that with the decrease of frequency, the inception voltage increases. The maximum and mean magnitude of discharge and pulse repetition rate first increase slightly, then decrease obviously. The main features of the variation of phase resolved PD (PRPD) patterns, discharge statistical patterns (phase distribution of maximum and mean discharge magnitude, pulse repetition rate qmax–φ, qmean–φ, n–φ; and number distribution of discharge magnitude n–q), and their characteristic parameters (skewness Sk+, Sk−; kurtosis Ku+, Ku−; asymmetry Asy; and correlation coefficient Cc) are depicted in detail, which should be paid attention to when using low frequency voltage. The inner mechanism for these variations is discussed from the aspects of the influence on electric field distribution and discharge process of frequency. Additionally, the variation trend of PD characteristics with the decrease of frequency can provide more information about insulation defect, which can be the supplement for discharge mode recognition. Partial discharge ; Skewness ; Low frequency ; Kurtosis ; Voltage ; Capacitance ; Acoustics ; Transformer oil ; Electrical engineering ; Frequency analysis ; Transformer ; Phase angle (astronomy) ; Materials science ; Analytical Chemistry (journal) ; Mathematics ; Statistics ; Physics ; Optics ; Chemistry ; Engineering ; Electrode High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Lightning and Electromagnetic Phenomena
Authors: Mihriban Kalkancı | ÖZER İHSAN
Source: Industria Textila (article, 2018-11-01)
Field: Materials Science — Polymers and Plastics

Developing a software calculating fabric consumption of variousbathrobe models Considering the customer requests and speed in the textile sector, very fast and accurate pricing should be done when the customers ask for very urgent prices for different styles. Customers often ask for sample pricing from apparel manufacturers. In this case, the garment manufacturer has to move quickly and accurately in determining the unit consumption of the garment. It is very important to know the correct fabric cost in pricing the garment to be produced. In general, the cost of fabric in garments accounts for 60–70% of the total cost. Manufacturers take risks when pricing the garment with the approximate fabric consumption. Fabric consumption tolerance can be taken higher to be a benefit, but then the order may not be placed by the customer due to high price. In CAD systems, calculation of fabric consumption can not be done easily. In this research, the software has been developed to calculate the unit usage of a garment quickly. Bathrobemodels were selected as a material and the data of a factory that produces bathrobe was used. The results of the program, which is developed with the software, are compared with the experimental figures. As a result, it was possible to determine fabric consumption with a reliability of 98.2% in a very short time by using the developed system (R2 &gt; 0.982). Clothing ; Consumption (sociology) ; Software ; Factory (object-oriented programming) ; Unit (ring theory) ; Sample (material) ; Textile ; Computer science ; Order (exchange) ; Unit price ; Pricing strategies ; Unit cost ; Reliability (semiconductor) ; Textile industry ; Manufacturing engineering ; Industrial engineering ; Operations research ; Business ; Marketing ; Engineering ; Economics ; Mechanical engineering ; Operating system ; Mathematics ; Microeconomics Textile materials and evaluations
Authors: Diego Garrido-Martín | Florencio Pazos
Source: BMC Bioinformatics (article, 2018-02-27)
Field: Chemistry — Spectroscopy

Effect of the sequence data deluge on the performance of methods for detecting protein functional residues These results are informative for the methods' developers and final users, and may have implications in the design of new sequencing initiatives. Sequence (biology) ; Protein sequencing ; Computer science ; Data mining ; Protein family ; DNA microarray ; Biology ; Computational biology ; Peptide sequence ; Genetics ; Gene Advanced Proteomics Techniques and Applications ; Genomics and Phylogenetic Studies ; Protein Structure and Dynamics
Authors: P. Liaparinos
Source: Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms (article, 2018-07-18)
Field: Materials Science — Materials Chemistry

Light beam interactions and emission performance in powder phosphor materials: The role of the binder Phosphor ; Materials science ; Refractive index ; Absorption (acoustics) ; Light scattering ; Optics ; Scattering ; Particle (ecology) ; Mie scattering ; Wavelength ; Monte Carlo method ; Light emission ; Particle size ; Diffusion ; Diffuse reflection ; Ray ; Optoelectronics ; Composite material ; Chemistry ; Physics Luminescence Properties of Advanced Materials ; Radiation Detection and Scintillator Technologies ; Terahertz technology and applications
Authors: George Callender | P. L. Lewin | Gian Carlo Montanari
Source: 2018 IEEE 2nd International Conference on Dielectrics (ICD) (article, 2018-07-01)
Field: Materials Science — Materials Chemistry

Simulation of Partial Discharge under Impulse Voltage Waveforms A drift diffusion model is used to investigate a PD between spherical electrodes coated by a dielectric material. The model geometry is an axisymmetric analog of crossed wire experiments which have been used in the literature to investigate PD activity due to impulse voltage waveforms. The simulation shows that discharges in crossed wire arrangements are likely to form surface ionising waves over the dielectric material covering the wires. This may allows the initiation of discharges at other locations where the electric field is high along the wires. The peak apparent current of this PD was found to be highly dependent on the applied voltage and exhibited a different pulse shape to PD inside spherical voids. The results suggest a significant factor behind the high magnitude discharges observed in impulse voltage waveform experiments may be the higher triggering voltage of the PD due to the impulse waveform. Impulse (physics) ; Waveform ; Voltage ; Materials science ; Dielectric ; Electrode ; Partial discharge ; Electric field ; Rotational symmetry ; Rise time ; Mechanics ; Acoustics ; High voltage ; Optics ; Physics ; Electrical engineering ; Optoelectronics ; Engineering ; Classical mechanics High voltage insulation and dielectric phenomena ; Electrostatic Discharge in Electronics ; Lightning and Electromagnetic Phenomena
Authors: Yehezkiel Steven Kurniawan | Arif Cahyo Imawan | Yoeretisa Miggia Stansyah | Tutik Dwi Wahyuningsih
Source: Preprints.org (preprint, 2018-10-12)
Field: Chemistry — Organic Chemistry

Preparation of PdO Doped on Bentonite as Catalyst for Friedel-Craft Acylation Reaction of Aromatic Compounds and the Investigation of the Reaction Mechanism Catalyst material plays a pivotal role in the pharmaceutical industry process. Among them, Friedel-Craft acylation reaction is a well-known reaction to synthesis acetophenone derivatives. However, Friedel-Craft acylation mostly used acetyl chloride as starting material with Lewis acid as homogeneous catalyst, which is nonenvironmental friendly process. In this work, a simple and efficient Friedel-Craft acylation reaction is reported by using the palladium oxide doped on activated bentonite (PdOAB) as the heterogeneous catalyst. The PdOAB catalyst material was characterized with scanning electron microscopy-energy dispersive X-ray (SEM-EDX), nitrogen isotherm adsorption, Fourier transform infrared (FTIR), X-ray powder diffraction (XRD), and thermogravimetric-differential thermal analysis (TG-DTA). The acetophenone derivatives with R = -H, -Cl, -CH3, -OCH3, -OH and -NH2 at para position were successfully synthesized from its corresponding aromatic compounds with glacial acetic acid in 86.6, 7.9, 91.7, 86.6, 82.7, and 78.9% yield, respectively. Therefore, a green method was established because the byproduct is water and the catalyst material can be recovered. Furthermore, the substituent (&amp;sigma;) constants were obtained by using Hammet equation, and the catalysis mechanism has been proposed. Friedel–Crafts reaction ; Catalysis ; Chemistry ; Acetophenone ; Thermogravimetric analysis ; Acylation ; Bentonite ; Inorganic chemistry ; Organic chemistry ; Nuclear chemistry ; Chemical engineering Multicomponent Synthesis of Heterocycles ; Chemical Synthesis and Reactions ; Inorganic and Organometallic Chemistry
Authors: Minggang Zheng | Yuankun Zhang | ﻿Lei Shi
Source: International Journal of Heat and Technology (article, 2018-09-30)
Field: Materials Science — Materials Chemistry

Research on selective non-catalytic NOx reduction (SNCR) for diesel engine This paper proposes a selective non-catalytic reduction (NOx) system for diesel engine with 40% methylamine (CH3NH2) aqueous solution as the reducing agent, and carries out an engine bench test. According to the results, CH3NH2 began to separate NH2 out at the exhaust temperature of 250~300, the NOx reduction rate of the SNCR system increased rapidly with the increase of the engine load and it reached 70% at the exhaust temperature of 470. On this basis, this paper establishes a database containing 13 kinds of physical parameters of methylamine, uses CHEMKIN to establish the reduction process of the gas phase chemical reaction mechanism and imports the file into the general CFD software FireV2011 to numerically simulate the reduction process of the SNCR system. The results indicate that NOx is fully reduced in one rreaction cycle starting from the injection of the reducing agent. NOx ; Diesel engine ; Reduction (mathematics) ; Selective catalytic reduction ; Diesel fuel ; Catalysis ; Automotive engineering ; Diesel exhaust ; Waste management ; Environmental science ; Chemistry ; Engineering ; Organic chemistry ; Combustion ; Mathematics Catalytic Processes in Materials Science