jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Weipeng Zhao | Bo Zhao | Qizhi Yang | Liming Zhou | Hanlu Jiang | Kang Niu | Jian Ning Ding
Source: Research Square (preprint, 2021-07-29)
Field: Materials Science — Polymers and Plastics

Design and Test of Intelligent Inspection and Monitoring System for Cotton Bale Storage based on RFID Abstract In order to solve the patrol inspection problems in cotton storage and the need for environmental monitoring in the modern cotton bale warehousing process, RFID positioning technology, wireless temperature and humidity real-time monitoring technology and handheld terminal intelligent inspection technology are used to design and develop RFID-based cotton bale intelligence Inspection and intelligent temperature and humidity monitoring system. The artificial neural network (ANN) method performs Gaussian filter processing on the system monitoring data to establish an accurate RSSI and label position classification model. The system finally realizes the functions of locating cotton bales in storage, collecting bale information, and real-time measurement and collection of temperature and humidity parameters in the cotton bale warehouse. The test results show that the relative error of RFID cotton bale intelligent inspection and monitoring system positioning and monitoring does not exceed 6.7%, effectively improving the work efficiency of inspectors and the safety of cotton bale storage. The relative error of temperature is less than 8%, and the relative error of humidity is less than 7%. It can display the storage environment temperature in real time and meet the real-time requirements. It improves the effective positioning and inspection of the cotton stack by management personnel, prevents the loss of cotton bale and reduces the probability of cotton stack deterioration. Real-time computing ; Relative humidity ; Stack (abstract data type) ; Engineering ; Automotive engineering ; Computer science ; Reliability engineering ; Embedded system Textile materials and evaluations
Authors: Talia Cristina da Silva Gibim | Felipe Bertolotti Savella | Sidney Bruce Shiki | Armando Ítalo Sette Antonialli
Source:  (article, 2021-01-01)
Field: Materials Science — Polymers and Plastics

AVALIAÇÃO DE TEXTURAS INDUZIDAS POR VIBRAÇÃO NO TORNEAMENTO DURO DE UM AÇO FERRAMENTA Computer science ; Art ; Humanities Textile materials and evaluations
Authors: Amit Baran Sharangi
Source: The Open Agriculture Journal (article, 2021-12-07)
Field: Chemistry — Analytical Chemistry

Non destructive Evaluation of Agro-products by Intelligent Sensing Techniques (Editors: Jiangbo Li &amp; Zhao Zhang) Zhàng ; Engineering ; Computer science ; History ; China ; Archaeology Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies
Authors: Nathaniel Dennler | Eura Shin | Maja J. Matarić | Stefanos Nikolaidis
Source: arXiv (Cornell University) (preprint, 2021-08-03)
Field: Materials Science — Polymers and Plastics

Design and Evaluation of a Hair Combing System Using a General-Purpose Robotic Arm This work introduces an approach for automatic hair combing by a lightweight robot. For people living with limited mobility, dexterity, or chronic fatigue, combing hair is often a difficult task that negatively impacts personal routines. We propose a modular system for enabling general robot manipulators to assist with a hair-combing task. The system consists of three main components. The first component is the segmentation module, which segments the location of hair in space. The second component is the path planning module that proposes automatically-generated paths through hair based on user input. The final component creates a trajectory for the robot to execute. We quantitatively evaluate the effectiveness of the paths planned by the system with 48 users and qualitatively evaluate the system with 30 users watching videos of the robot performing a hair-combing task in the physical world. The system is shown to effectively comb different hairstyles. Combing ; Task (project management) ; Component (thermodynamics) ; Modular design ; Robot ; Computer science ; Segmentation ; Path (computing) ; Biomimetics ; Human–computer interaction ; Computer vision ; Artificial intelligence ; Simulation ; Engineering Textile materials and evaluations ; Robot Manipulation and Learning ; Hand Gesture Recognition Systems
Authors: Nathaniel Dennler | Eura Shin | Maja J. Matarić | Stefanos Nikolaidis
Source: arXiv (Cornell University) (preprint, 2021-08-02)
Field: Materials Science — Polymers and Plastics

Design and Evaluation of a Hair Combing System Using a General-Purpose\n Robotic Arm This work introduces an approach for automatic hair combing by a lightweight\nrobot. For people living with limited mobility, dexterity, or chronic fatigue,\ncombing hair is often a difficult task that negatively impacts personal\nroutines. We propose a modular system for enabling general robot manipulators\nto assist with a hair-combing task. The system consists of three main\ncomponents. The first component is the segmentation module, which segments the\nlocation of hair in space. The second component is the path planning module\nthat proposes automatically-generated paths through hair based on user input.\nThe final component creates a trajectory for the robot to execute. We\nquantitatively evaluate the effectiveness of the paths planned by the system\nwith 48 users and qualitatively evaluate the system with 30 users watching\nvideos of the robot performing a hair-combing task in the physical world. The\nsystem is shown to effectively comb different hairstyles.\n Combing ; Task (project management) ; Modular design ; Component (thermodynamics) ; Computer science ; Robot ; Segmentation ; GRASP ; Path (computing) ; Computer vision ; Human–computer interaction ; Artificial intelligence ; Engineering Textile materials and evaluations
Authors: André R.F. Silva | Diogo Borges Lima | Louise Ulrich Kurt | Mathieu Dupré | Julia Chamot‐Rooke | Marlon Dias Mariano Santos | Carolina Alves Nicolau | Richard H. Valente | Valmir C. Barbosa | Paulo C. Carvalho
Source: Journal of Proteomics (article, 2021-06-02)
Field: Chemistry — Spectroscopy

Leveraging the partition selection bias to achieve a high-quality clustering of mass spectra Cluster analysis ; Partition (number theory) ; Computer science ; Context (archaeology) ; Spectral clustering ; Data mining ; Proteomics ; Consensus clustering ; Artificial intelligence ; Pattern recognition (psychology) ; Correlation clustering ; Mathematics ; Chemistry ; CURE data clustering algorithm ; Geography Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Gene expression and cancer classification
Authors: Joshua Charkow | Hannes Röst
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-04-03)
Field: Chemistry — Spectroscopy

Trapped Ion Mobility Spectrometry Reduces Spectral Complexity in Mass Spectrometry Based Workflow Abstract In bottom-up mass spectrometry based proteomics, deep proteome coverage is limited by high cofragmentation rates. This occurs when more than one analyte is isolated by the quadrupole and the subsequent fragmentation event produces fragment ions of heterogeneous origin. One strategy to reduce cofragmentation rates is through effective peptide separation techniques such as chromatographic separation and, the more recently popularized, ion mobility (IM) spectrometry which separates peptides by their collisional cross section. Here we investigate the capability of the Trapped Ion Mobility Spectrometry (TIMS) device to effectively separate peptide ions and quantify the separation power of the TIMS device in the context of a Parallel Accumulation-Serial Fragmentation (PASEF) workflow. We found that TIMS IM separation increases the number of interference-free MS1 features 9.2-fold, while decreasing the average peptide density in precursor spectra 6.5 fold. In a Data Dependent Acquisition (DDA) PASEF workflow, IM separation increased the number of spectra without cofragmentation by a factor of 4.1 and the number of high quality spectra 17-fold. This observed decrease in spectral complexity results in a substantial increase in peptide identification rates when using our data-driven model. In the context of a Data Independent Acquisition (DIA), the reduction in spectral complexity resulting from IM separation is estimated to be equivalent to a 4-fold decrease in isolation window width (from 25Da to 6.5Da). Our study shows that TIMS IM separation dramatically reduces cofragmentation rates leading to an increase in peptide identification rates. Mass spectrometry ; Ion-mobility spectrometry ; Chemistry ; Context (archaeology) ; Analyte ; Fragmentation (computing) ; Analytical Chemistry (journal) ; Ion ; Chromatography ; Computer science Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Rich, P. | de Haan, R. | Wareham, T. | van Rooij, I.
Source: UvA-DARE (University of Amsterdam) (article, 2021-01-01)
Field: Materials Science — Ceramics and Composites

How hard is cognitive science? Cognitive science is itself a cognitive activity. Yet, computational cognitive science tools are seldom used to study (limits of) cognitive scientists' thinking. Here, we do so using computational-level modeling and complexity analysis. We present an idealized formal model of a core inference problem faced by cognitive scientists: Given observations of a system's behaviors, infer cognitive processes that could plausibly produce the behavior. We consider variants of this problem at different levels of explanation and prove that at each level, the inference problem is intractable, or even uncomputable. We discuss the implications for cognitive science. Cognition ; Inference ; Cognitive reframing ; Cognitive computing ; Rational analysis ; Cognitive model ; LIDA ; Core (optical fiber) Glass properties and applications ; Photorefractive and Nonlinear Optics ; High-pressure geophysics and materials
Authors: Pusat Penelitian Kebijakan dan Manajemen Iptek dan Inovasi Lembaga Ilmu Pengetahuan Indonesia (LIPI | Lutfah Ariana | Mia Rahma Romadona
Source: Jurnal Ekonomi Pertanian dan Agribisnis (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Akselerasi Inovasi Produk Litbang Berbasis Teknologi Nano Melalui Pendekatan Technoprenuership Tantangan yang sering muncul dalam pemanfaatan hasil litbang pemerintah adalah kemampuan dalam pengelolaan teknologi dan produk, dimana kesenjangan kemampuan teknis dan bisnis menyebabkan hasil litbang belum mampu menembus pasar secara meluas. Technoprenuership dianggap menjadi kerangka yang efektif dalam mengintegrasikan aspek kewirausahaan untuk mengelola model bisnis dari produk litbang berbasis teknologi tinggi. Kajian ini mengeksplorasi bagaimana kemampuan komersialisasi hasil litbang yang dilakukan oleh lembaga litbang pemerintah dapat meningkatkan skala dampak ekonomi. Berbasis studi kasus tunggal (single case study) dari produk aplikasi teknologi nano LIPI, kajian ini memanfaatkan kerangka technoprenuership untuk melihat kapabilitas teknologi dan pemasaran perusahaan start-up dalam membangun model bisnis yang dijalankannya. Eksplorasi pendekatan technoprenuership diuraikan dalam konsep Knowledge Intensive Enterpreneurship (KIE) untuk menjelaskan tiga komponen yang saling melengkapi (complementary), yaitu peluang teknologi, peluang pasar dan peluang institusional. Hasil studi mengungkapkan bahwa komplementaritas dari peluang hasil riset akan menentukan keberhasilan perusahaan start-up mengkomersialisasikan produk berteknologi nano. Adanya kesenjangan kapabilitas teknologi antara periset (peneliti) dengan pengusaha (start-up company) mendorong pendekatan technoprenuership dapat diusulkan menjadi model kebijakan teknologi selanjutnya. Business administration ; Business Nanoparticles: synthesis and applications ; Sustainability and Innovation in Business ; Entrepreneurship Studies and Influences
Authors: Benjamin C. Orsburn
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-10-31)
Field: Chemistry — Spectroscopy

A simple tool extends TIMSTOF compatibility with historic data processing tools and enables ion mobility-enhanced spectral libraries Abstract Trapped ion mobility mass spectrometry is proving to be a disruptive technology in LCMS based proteomics. One primary drawback of this hardware is the lack of compatibility with the hundreds of data processing pipelines historically in use. This study describes a simple data conversion tool that “folds” the TIMSTOF ion mobility data into the MS2 fragmentation spectra allowing simple downstream processing. Little to no detriment in the assignment of peptide spectral matches is observed when “folding” the 1/k0 value into the low mass region. To demonstrate one utility of TIMS Folding, spectral libraries are provided in multiple common formats that were constructed from the same files both with and without folded ion mobility data. When new data is acquired and folded using the same parameters prior to data processing the folded ion mobility data can be used as an additional metric for peptide match confidence against folded spectral libraries. Fragmentation (computing) ; Computer science ; Data processing ; Ion-mobility spectrometry ; Ion ; Compatibility (geochemistry) ; Folding (DSP implementation) ; Computational science ; Chemistry ; Database ; Materials science ; Engineering ; Programming language ; Electrical engineering Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Lucia H. T. Viegas
Source: Revista Brasileira de Estudos Estratégicos (article, 2021-01-01)
Field: Chemistry — Organic Chemistry

SOBERANIAS – UMA SUCESSÃO HISTÓRICA DE DEFINIÇÕES Este artigo apresenta diferentes significados que o termo soberania adquire, ao longo de uma sucessão histórica definida, ora como noção, ora como conceito. A dinâmica noção-conceito e vice-versa é dada em uma dialética construtivista - noções e conceitos sofrem desgaste, perdem significação, são reconstruídos, ou desaparecem. Da Grécia Antiga, passando por Jean Bodin até a contemporaneidade, observa-se que soberania é tratada mais no aspecto genealógico (termo) do que no aspecto epistemológico (noção-conceito). Soberania pode ser compreendida como o caráter essencial de um Estado autônomo historicamente determinado, capaz de exercer regências e jurisdições internas e externas para garantir a integridade da nação. O contexto empírico atual mostra a dificuldade de identificar e reconhecer as relações políticas de facto , que refletem a ação silenciosa e invisível de um sistema internacional pós-colonial, o qual se sobrepôs ao papel próprio dos Estados. Na atualidade, significações do termo soberania permanecem, assim, flutuantes enquanto dinâmica noção-conceito. Palavras-Chave : soberania, definições, dinâmica noção-conceito Abstract: This paper presents different significations that the term sovereignty acquires, within a defined historical succession, either as a notion, or as a concept. The notion-concept dynamics and vice versa comes about under a constructivist dialectic – notions and concepts are worn out, loose meaning, are reconstructed, or disappear. Beginning from Ancient Greece, going through Jean Bodin until contemporaneity, one can observe that sovereignty is examined more often under its genealogical aspect (term), than under its epistemological aspect (notion-concept). Sovereignty can be understood as the essential character of a historically determined autonomous State, capable of exercising commandment and jurisdictions, internal and external, to ensure the integrity of the nation. The current empirical context shows thedifficulty of identifying and recognizing de facto political relations, which reflect the silent and invisible action of a postcolonial international system that overlapped the proper role of the States. Nowadays meanings of the term sovereignty remain, therefore, fluctuating as a notion-concept dynamics. Keywords : sovereignty, definitions, notion-concept dynamics Humanities ; Philosophy ; Sovereignty ; Meaning (existential) ; Dialectic ; Political science ; Epistemology ; Politics ; Law Organic Chemistry Synthesis Methods ; Brazilian History and Foreign Policy
Authors: Laura Fancello | Thomas Bürger
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-09-08)
Field: Chemistry — Spectroscopy

Transcriptome-informed reduction of protein databases: an analysis of how and when proteogenomics enhances eukaryotic proteomics ABSTRACT Background Proteogenomics aims to identify variant or unknown proteins in bottom-up proteomics, by searching transcriptome- or genome-derived custom protein databases. However, empirical observations reveal that these large proteogenomic databases produce lower-sensitivity peptide identifications. Various strategies have been proposed to avoid this, including the generation of reduced transcriptome-informed protein databases ( i.e. , built from reference protein databases only retaining proteins whose transcripts are detected in the sample-matched transcriptome), which were found to increase peptide identification sensitivity. Here, we present a detailed evaluation of this approach. Results First, we established that the increased sensitivity in peptide identification is in fact a statistical artifact, directly resulting from the limited capability of target-decoy competition to accurately model incorrect target matches when using excessively small databases. As anti-conservative FDRs are likely to hamper the robustness of the resulting biological conclusions, we advocate for alternative FDR control methods that are less sensitive to database size. Nevertheless, reduced transcriptome-informed databases are useful, as they reduce the ambiguity of protein identifications, yielding fewer shared peptides. Furthermore, searching the reference database and subsequently filtering proteins whose transcripts are not expressed reduces protein identification ambiguity to a similar extent, but is more transparent and reproducible. Conclusion In summary, using transcriptome information is an interesting strategy that has not been promoted for the right reasons. While the increase in peptide identifications from searching reduced transcriptome-informed databases is an artifact caused by the use of an FDR control method unsuitable to excessively small databases, transcriptome information can reduce ambiguity of protein identifications. Proteogenomics ; Transcriptome ; Proteomics ; Identification (biology) ; Computational biology ; Database ; Robustness (evolution) ; Computer science ; Biology ; Gene ; Genetics ; Gene expression Advanced Proteomics Techniques and Applications ; Genomics and Phylogenetic Studies ; Gene expression and cancer classification
Authors: Truong Son Hy | Risi Kondor
Source: arXiv (Cornell University) (preprint, 2021-06-02)
Field: Materials Science — Materials Chemistry

Multiresolution Equivariant Graph Variational Autoencoder In this paper, we propose Multiresolution Equivariant Graph Variational Autoencoders (MGVAE), the first hierarchical generative model to learn and generate graphs in a multiresolution and equivariant manner. At each resolution level, MGVAE employs higher order message passing to encode the graph while learning to partition it into mutually exclusive clusters and coarsening into a lower resolution that eventually creates a hierarchy of latent distributions. MGVAE then constructs a hierarchical generative model to variationally decode into a hierarchy of coarsened graphs. Importantly, our proposed framework is end-to-end permutation equivariant with respect to node ordering. MGVAE achieves competitive results with several generative tasks including general graph generation, molecular generation, unsupervised molecular representation learning to predict molecular properties, link prediction on citation graphs, and graph-based image generation. Equivariant map ; Generative grammar ; Autoencoder ; Theoretical computer science ; Hierarchy ; Computer science ; Generative model ; Graph ; Feature learning ; Artificial intelligence ; Mathematics ; Artificial neural network Machine Learning in Materials Science ; Advanced Graph Neural Networks ; Bioinformatics and Genomic Networks
Authors: Christopher D. Gale | Mortaza Derakhshani-Molayousefi | Nancy E. Levinger
Source: ChemRxiv (preprint, 2021-11-02)
Field: Chemistry — Organic Chemistry

How to Characterize Amorphous Shapes: The Tale of a Reverse Micelle Aerosol-OT reverse micelles represent a chemical construct where surfactant molecules self-assemble to stabilize water nanodroplets ~1-10 nm in diameter. Although commonly assumed to adopt a spherical shape, all-atom molecular dynamics simulations and some experimental studies predict a non-spherical shape. If these aggregates are not spherical, then what shape do they take? Because the tools needed to evaluate the shape of something that lacks regular structure, order, or symmetry are not well developed, we present a set of three intuitive metrics- coordinate-pair eccentricity, convexity, and the curvature distribution- that estimate the shape of an amorphous object and we demonstrate their use on a simulated Aerosol-OT reverse micelle. These metrics are all well-established methods and principles in mathematics, and each provides unique information about the shape. Together, these metrics provide intuitive descriptions of amorphous shapes, facilitate ways to quantify those shapes, and follow their changes over time. Amorphous solid ; Micelle ; Convexity ; Curvature ; Construct (python library) ; Object (grammar) ; Polyhedron ; Chemical physics ; Circular symmetry ; Materials science ; Biological system ; Nanotechnology ; Computer science ; Physics ; Geometry ; Chemistry ; Mathematics ; Crystallography ; Artificial intelligence Surfactants and Colloidal Systems ; Pickering emulsions and particle stabilization
Authors: Y. Sheena Mary | Anna Bielenica | Stevan Armaković | Sanja J. Armaković | Vivek Chandramohan | Manjunath Dammalli
Source: Research Square (preprint, 2021-05-27)
Field: Chemistry — Organic Chemistry

Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT, MD simulations Abstract Spectroscopic analysis of 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (FPTT) is reported. Experimental and theoretical analysis of FPTT, with Molecular Dynamics (MD) simulations, are reported for finding different parameters like: identification of suitable excipients, interactions with water, and sensitivity towards autoxidation. Molecular dynamics and docking show that FPTT can act as a potential inhibitor for new drug. Additionally, local reactivity, interactivity with water, and compatibility of FPTT molecule with frequently used excipients have been studied by combined application of density functional theory (DFT) and MD simulations. Analysis of local reactivity has been performed based on selected fundamental quantum-molecular descriptors, while interactivity with water was studied by calculations of radial distribution functions (RDFs). Compatibility with excipients has been assessed through calculations of solubility parameters, applying MD simulations. Thiourea ; Reactivity (psychology) ; Derivative (finance) ; Computational chemistry ; Chemistry ; Combinatorial chemistry ; Medicinal chemistry ; Organic chemistry ; Medicine ; Economics Free Radicals and Antioxidants ; Organic Chemistry Cycloaddition Reactions ; Metal complexes synthesis and properties