jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Anna E. Bugrova | Polina A. Strelnikova | А. С. Кононихин | Natalia V. Zakharova | Elizaveta O. Diyachkova | Alexander Brzhozovskiy | Maria I. Indeykina | Ilya N. Kurochkin | Alexander Averyanov | Е. Н. Николаев
Source: medRxiv (preprint, 2023-09-22)
Field: Chemistry — Spectroscopy

Targeted MRM-analysis of plasma proteins in frozen whole blood samples from patients with COVID-19 Abstract The COVID-19 pandemic has exposed a number of key challenges that need to be urgently addressed. In particular, rapid identification and validation of prognostic markers is required. Mass spectrometric studies of blood plasma proteomics provide a deep understanding of the relationship between the severe course of infection and activation of specific pathophysiological pathways. Analysis of plasma proteins in whole blood may also be relevant for the pandemic as it requires minimal sample preparation. Here, for the first time, frozen whole blood samples were used to analyze 189 plasma proteins using multiple reaction monitoring (MRM) mass spectrometry and stable isotope-labeled peptide standards (SIS). A total of 128 samples (FRCC, Russia) from patients with mild (n=40), moderate (n=36) and severe (n=19) COVID-19 infection and healthy controls (n=33) were analyzed. Levels of 114 proteins were quantified and compared. Significant differences between all of the groups were revealed for 61 proteins. Changes in the levels of 30 reproducible COVID-19 markers (SERPING1, CRP, C9, ORM1, APOA1, SAA1/SAA2, LBP, AFM, IGFALS, etc.) were consistent with studies performed with serum/plasma samples. Levels of 70 proteins correlated between whole blood and plasma samples. The best-performing classifier built with 13 significantly different proteins achieved the best combination of ROC-AUC (0.93-0.95) and accuracy (0.87-0.93) metrics and distinguished patients from controls, as well as patients by severity and risk of mortality. Overall, the results support the use of frozen whole blood for MRM analysis of plasma proteins and assessment of the status of patients with COVID-19. Blood proteins ; Coronavirus disease 2019 (COVID-19) ; Whole blood ; Proteomics ; Blood plasma ; Quantitative proteomics ; Chromatography ; Internal medicine ; Medicine ; Chemistry ; Gastroenterology ; Immunology ; Biochemistry Advanced Proteomics Techniques and Applications ; SARS-CoV-2 detection and testing
Authors: Hajid Alsubaie
Source: Frontiers in Physics (article, 2023-08-23)
Field: Materials Science — Materials Chemistry

A neural state-space-based model predictive technique for effective vibration control in nano-beams Model predictive control (MPC) is a cutting-edge control technique, but its susceptibility to inaccuracies in the model remains a challenge for embedded systems. In this study, we propose a data-driven MPC framework to address this issue and achieve robust and adaptable performance. Our framework involves systematically identifying system dynamics and learning the MPC policy through function approximations. Specifically, we introduce a system identification method based on the Deep neural network (DNN) and integrate it with MPC. The function approximation capability of DNN enables the controller to learn the nonlinear dynamics of the system then the MPC policy is established based on the identified model. Also, through an added control term the robustness and convergence of the closed-loop system are guaranteed. Then the governing equation of a non-local strain gradient (NSG) nano-beam is presented. Finally, the proposed control scheme is used for vibration suppression in the NSG nano-beam. To validate the effectiveness of our approach, the controller is applied to the unknown system, meaning that solely during the training phase of the neural state-space-based model we relied on the data extracted from the time history of the beam’s deflection. The simulation results conclusively demonstrate the remarkable performance of our proposed approach in effectively suppressing vibrations. Control theory (sociology) ; Artificial neural network ; Model predictive control ; Robustness (evolution) ; Computer science ; Nonlinear system ; Vibration ; Deflection (physics) ; Vibration control ; Control engineering ; Engineering ; Artificial intelligence ; Control (management) ; Physics Nonlocal and gradient elasticity in micro/nano structures ; Vibration Control and Rheological Fluids ; Aeroelasticity and Vibration Control
Authors: Yanning Li
Source: Highlights in Science Engineering and Technology (article, 2023-07-25)
Field: Chemistry — Analytical Chemistry

Identification of Traditional Chinese Medicine Based on KNN Algorithm and Random Forest Medicinal materials are a system of components and complex mixtures, and spectroscopic principles can provide in-depth analysis of the composition mechanism of traditional Chinese medicinal materials through the determination of their material structures. Chinese medicinal materials of different origins and varieties exhibit different spectral characteristics due to differences in chemical composition and organic matter. However, spectral features have high-dimensional attributes, so PCA principal component dimensionality reduction is considered to condense spectral features into representative feature variables. Then, a hierarchical clustering method with a clear hierarchy can be used to classify multiple Chinese medicinal materials into three categories based on their spectral characteristics; At the same time, in order to solve the problem of origin identification, based on the situation that there are many classifications of origins, the KNN algorithm is combined to achieve the requirements of origin identification; Using both mid infrared and near infrared spectral data and using KNN algorithm to verify the origin of Chinese medicinal materials is more accurate; Due to the small number of categories, the prediction of the types of Chinese medicinal materials is implemented using commonly used random forests. The realization of the above methods demonstrates the feasibility of identifying Chinese medicinal materials through infrared spectroscopy, and it is also worth further exploration and research. Principal component analysis ; Random forest ; Identification (biology) ; Computer science ; Feature (linguistics) ; Pattern recognition (psychology) ; Realization (probability) ; Curse of dimensionality ; Dimensionality reduction ; Medicinal herbs ; Similarity (geometry) ; Cluster analysis ; Artificial intelligence ; Data mining ; Algorithm ; Mathematics ; Traditional medicine ; Statistics Spectroscopy and Chemometric Analyses ; Traditional Chinese Medicine Analysis ; Traditional Chinese Medicine Studies
Authors: Neha B. Chavan | Ramesh R. Manza | Diksha R. Pawar
Source: International Journal for Research in Applied Science and Engineering Technology (article, 2023-08-10)
Field: Chemistry — Analytical Chemistry

Study of Phenotype Analysis of Maize Plant: Hyperspectral Image Perspective Abstract: Maize, alongside rice and wheat, constitutes a trio of crops responsible for over 50% of the global calorie consumption. To address the rising food demand, enhancing the productivity and stress resilience of these crops becomes imperative. However, the progress of plant breeding initiatives is hindered by the cost and time constraints associated with acquiring plant phenotype data. To overcome these limitations and advance the field, there is a need for datasets that connect new forms of highthroughput phenotype data, gathered from plants, to the performance of identical genotypes in diverse agronomic settings and habitats. These datasets will pave the way for the development of innovative statistical and Machine Learning techniques, empowering researchers to expedite crop improvement efforts effectively. Hyperspectral imaging ; Perspective (graphical) ; Productivity ; Agricultural engineering ; Resilience (materials science) ; Biotechnology ; Field (mathematics) ; Crop ; Computer science ; Biology ; Agronomy ; Artificial intelligence ; Engineering ; Mathematics Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Gyeong-Yeol Lee | Nam Hoon Kim | Dong-Eon Kim | Gyung-Suk Kil | Sung-Wook Kim
Source: Sensors (article, 2023-12-15)
Field: Materials Science — Materials Chemistry

The Design, Fabrication, and Evaluation of a Phase-Resolved Partial Discharge Sensor Embedded in a MV-Class Bushing This paper proposes a novel phase-resolved partial discharge (PRPD) sensor embedded in a MV-class bushing for high-accuracy insulation analysis. The design, fabrication, and evaluation of a PRPD sensor embedded in a MV-class bushing aimed to achieve the detection of partial discharge (PD) pulses that are phase-synchronized with the applied primary HV signal. A prototype PRPD sensor was composed of a flexible printed circuit board (PCB) with dual-sensing electrodes, utilizing a capacitive voltage divider (CVD) for voltage measurement, the D-dot principle for PD detection, and a signal transducer with passive elements. A PD simulator was prepared to emulate typical PD defects, i.e., a metal protrusion. The voltage measurement precision of the prototype PRPD sensor was satisfied with the accuracy class of 0.2 specified in IEC 61869-11, as the maximum corrected voltage error ratios and corrected phase errors in 80%, 100%, and 120% of the rated voltage (13.2 kilovolts (kV)) were less than 0.2% and 10 min, respectively. In addition, the prototype PRPD sensor had good linearity and high sensitivity for PD detection compared with a conventional electrical detection method. According to performance evaluation tests, the prototype PRPD sensor embedded in the MV-class bushing can measure PRPD patterns phase-synchronized with the primary voltage without any additional synchronization equipment or system. Therefore, the prototype PRPD sensor holds potential as a substitute for conventional commercial PD sensors. Consequently, this advancement could lead to the enhancement of power system monitoring and maintenance, contributing to the digitalization and minimization of power apparatus. Bushing ; Partial discharge ; Voltage ; SIGNAL (programming language) ; Materials science ; Capacitive sensing ; Phase (matter) ; High voltage ; Fabrication ; Sensitivity (control systems) ; Electrical engineering ; Electronic engineering ; Acoustics ; Engineering ; Computer science High voltage insulation and dielectric phenomena ; Magneto-Optical Properties and Applications ; Power Transformer Diagnostics and Insulation
Authors: Wanzhu Zhou | Qidong Zhou | Yongqian Lei | PeiShan Wu | Jingwei Xu | Xu Chunhua
Source: Research Square (preprint, 2023-07-17)
Field: Chemistry — Analytical Chemistry

A rapid determination of wheat flour’s components based on near infrared spectroscopy and chemometrics Abstract In this work, a rapid and simple analytical method for the quantitative determination of moisture, protein, wet gluten, starch and sedimentation index in the wheat flour was established by the combination of near infrared spectroscopy and chemometrics. The spectra of the 229 wheat flour samples were collected by a portable near infrared fast analyzer. The contents of these components were determined according to the relevant Chinese National Standards, and were taken as the corresponding reference database. Partial least squares (PLS) modeling method was used, and seven spectral pretreatment methods were employed to eliminate the optical interference from background and other noise information, then the quantitative analysis effect of the model on wheat flour index was investigated. The best result was obtained with FD + SG(15, 3) + MC method for moisture, protein, wet gluten and sedimentation index, FD + SG(15, 2) + MC method was more suitable for starch. The principal component numbers (PCs) were also optimized to obtain a superior model effect. In this study, the predicted values and the reference values in the PLS model of wheat flour showed superior linear relationship within the calibration range. Moreover, the absolute error of the predicted values and their corresponding reference values were within their confidence intervals, respectively. The deviations for moisture, protein, wet gluten and starch fluctuated less, only sedimentation index fluctuated greatly. The actual prediction correct rate of moisture, protein, wet gluten, starch and sedimentation index were 96.8%, 96.8%, 90.3%, 100.0% and 80.6%, respectively, which indicated the prediction was excellent. Chemometrics ; Partial least squares regression ; Gluten ; Starch ; Moisture ; Wheat flour ; Principal component analysis ; Chemistry ; Calibration ; Analytical Chemistry (journal) ; Mathematics ; Food science ; Chromatography ; Statistics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Meat and Animal Product Quality
Authors: Prakriti P. Joshi | Davis Unruh | Thomas E. Gage | Ruiyu Li | Haihua Liu | Liangbo Liang | Ilke Arslan | Maria K. Y. Chan | Sarah B. King
Source: ChemRxiv (preprint, 2023-08-08)
Field: Materials Science — Materials Chemistry

Anomalous reduction in black phosphorus phonon velocities driven by lattice anisotropy Phonon transport in solids determines how heat can be utilized or dissipated in materials. Conventional methods for investigating phonon transport use experimental techniques that spatially average over material morphology. However, as electronic devices continue to shrink, material boundaries have an increasing contribution to phonon dynamics. Here we use a novel ultrafast electron microscopy technique to directly interrogate the phonon dynamics of two-dimensional black phosphorus (BP) on the nanoscale. BP has intrinsic anisotropic phonon transport with distinct phonon velocities along the two principal crystal directions, zigzag (ZZ) and armchair (AC). We are able to directly observe the coherent acoustic phonon (CAP) group velocities in these two directions, confirming previous non-localized experiments. We also observe that the group velocities of CAPs are strongly influenced by the direction of propagation. In particular, edge-launched CAPs that propagate 31 degrees relative to the AC lattice direction have a group velocity that is significantly lower than those two directions and deviate from a mode-averaged phenomenological model that does not account for lattice anisotropy. Using Gaussian Approximation Potential calculations, we find that, because of the strong anisotropy of the BP lattice, the crossing of transverse acoustic (TA) and longitudinal acoustic (LA) phonon modes results in anomalously low LA group velocities in directions between the AC and ZZ directions. This suggests that BP is an ideal model platform to explore morphology and directional control of heat transport, particularly for miniaturized optoelectronic and thermoelectric applications. Phonon ; Group velocity ; Anisotropy ; Condensed matter physics ; Zigzag ; Thermoelectric effect ; Physics ; Lattice (music) ; Materials science ; Optics ; Geometry ; Quantum mechanics Thermal properties of materials ; Ultrasonics and Acoustic Wave Propagation ; Thermography and Photoacoustic Techniques
Authors: Dan Cheng | Zhizheng Zhuo | Peng Zhang | Liying Qu | Yunyun Duan | Xiaolu Xu | Cong Xie | Xing Liu | Sven Haller | Frederik Barkhof | Liwei Zhang | Yaou Liu
Source: Acta Radiologica (article, 2023-09-18)
Field: Materials Science — Materials Chemistry

Amide proton transfer-weighted imaging of pediatric brainstem glioma and its predicted value for H3 K27 alteration APTw imaging may serve as an imaging biomarker for H3 K27 alteration of pedBSGs. Medicine ; Receiver operating characteristic ; Area under the curve ; Differential diagnosis ; Pathology ; Brainstem ; Internal medicine ; Radiology Lanthanide and Transition Metal Complexes ; Glioma Diagnosis and Treatment ; Medical Imaging Techniques and Applications
Authors: Yang Liu | Jianjun Meng | Jingnian Cao
Source: Actuators (article, 2023-10-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Rate-Dependent Hysteresis Model of a Giant Magnetostrictive Actuator Based on an Improved Cuckoo Algorithm A rate-dependent asymmetric Prandtl–Ishilinskii (RAPI) model was proposed to tackle the serious rate-dependent hysteresis nonlinearity of the giant magnetostrictive actuator(GMA) output. First, a polynomial function was introduced based on the PI model, and hysteresis factors were introduced to the Play operator, which accurately described the asymmetrical characteristic of the actuator output. On this basis, rate-dependent parameters were added to establish a rate-dependent RAPI model. Second, an improved cuckoo search (ICS) algorithm was proposed to solve the difficulty in the parameter identification of the RAPI model. For the ICS algorithm, the algorithm stability and optimization accuracy were improved using the adaptive step (AS) strategy and bird’s nest disturbance strategy. Then, the effectiveness of the ICS algorithm was tested by comparing it with other parameter identification algorithms. Finally, the rate-dependent RAPI model was verified by combining the output data of the giant magnetostrictive actuator under different frequencies. The results show that the rate-dependent RAPI model exhibits a higher accuracy than the PI model, thus verifying the effectiveness of the rate-dependent RAPI model. Cuckoo search ; Control theory (sociology) ; Actuator ; Hysteresis ; Nonlinear system ; Algorithm ; Genetic algorithm ; Magnetostriction ; Computer science ; Mathematics ; Mathematical optimization ; Physics ; Artificial intelligence Magnetic Properties and Applications ; Piezoelectric Actuators and Control ; Electric Motor Design and Analysis
Authors: Denis Vladlenov
Source:  (article, 2023-09-25)
Field: Materials Science — Polymers and Plastics

YOUNG SCIENTISTS AND METHODS OF IMPROVING MODERN THEORIES increasing the time by 2 times compared to previous experiments increases the yield to baseline. A further increase in time and temperature (while maintaining a 6-fold excess) reduces the yield of diketone. Chloroform ; Chemistry ; Sulfuric acid ; Mass spectrum ; Yield (engineering) ; Acetic acid ; Ether ; Analytical Chemistry (journal) ; Nuclear chemistry ; Solvent ; Petroleum ether ; Chromatography ; Mass spectrometry ; Extraction (chemistry) ; Organic chemistry ; Materials science Polymer Synthesis and Characterization ; Chemical Thermodynamics and Molecular Structure ; Various Chemistry Research Topics
Authors: Prakriti P. Joshi | Davis Unruh | Thomas E. Gage | Ruiyu Li | Haihua Liu | Liangbo Liang | Ilke Arslan | Maria K. Y. Chan | Sarah B. King
Source: ChemRxiv (preprint, 2023-08-07)
Field: Materials Science — Materials Chemistry

Anomalous reduction in black phosphorus phonon velocities driven by lattice anisotropy Phonon transport in solids determines how heat can be utilized or dissipated in materials. Conventional methods for investigating phonon transport use experimental techniques that spatially average over material morphology. However, as electronic devices continue to shrink, material boundaries have an increasing contribution to phonon dynamics. Here we use a novel ultrafast electron microscopy technique to directly interrogate the phonon dynamics of two-dimensional black phosphorus (BP) on the nanoscale. BP has intrinsic anisotropic phonon transport with distinct phonon velocities along the two principal crystal directions, zigzag (ZZ) and armchair (AC). We are able to directly observe the coherent acoustic phonon (CAP) group velocities in these two directions, confirming previous non-localized experiments. We also observe that the group velocities of CAPs are strongly influenced by the direction of propagation. In particular, edge-launched CAPs that propagate 31 degrees relative to the AC lattice direction have a group velocity that is significantly lower than those two directions and deviate from a mode-averaged phenomenological model that does not account for lattice anisotropy. Using Gaussian Approximation Potential calculations, we find that, because of the strong anisotropy of the BP lattice, the crossing of transverse acoustic (TA) and longitudinal acoustic (LA) phonon modes results in anomalously low LA group velocities in directions between the AC and ZZ directions. This suggests that BP is an ideal model platform to explore morphology and directional control of heat transport, particularly for miniaturized optoelectronic and thermoelectric applications. Phonon ; Group velocity ; Anisotropy ; Condensed matter physics ; Zigzag ; Thermoelectric effect ; Physics ; Lattice (music) ; Materials science ; Optics ; Geometry ; Quantum mechanics Thermal properties of materials ; Ultrasonics and Acoustic Wave Propagation ; Thermography and Photoacoustic Techniques
Authors: Lucienne Nouchikian | David Fernandez-Martinez | Pierre‐Yves Renard | Cyrille Sabot | Guillaume Duménil | Martial Rey | Julia Chamot‐Rooke
Source: ChemRxiv (preprint, 2023-11-01)
Field: Chemistry — Spectroscopy

Don’t Waste Time – Ensure Success in Your Cross-Linking Mass Spectrometry Experiments Before You Begin Cross-linking Mass Spectrometry (XL-MS) has become a very useful tool for studying protein complexes and interactions in living systems. It enables the investigation of many large and dynamic assemblies in their native state, providing an unbiased view of their protein interactions, and restraints for integrative modeling. More researchers are turning towards trying XL-MS to probe their complexes of interest especially in their native environments. However, due to other potentially higher abundant proteins present, sufficient cross-links on a system of interest may not be reached to achieve satisfactory structural and interactomics in-formation. There are currently no rules for predicting whether XL-MS experiments are likely to work or not, in other words if a protein complex of interest will lead to useful XL-MS data. Here we show that a simple iBAQ analysis performed from trypsin digest data can provide a good understanding if proteins of interest are abundant enough to achieve successful cross-linking data. Comparing our findings to large-scale data on diverse system from several other groups, we show that proteins of interest should be at least in the top 20 % abundance range to expect more than one cross-link found per protein. We foresee that this guideline is a good starting point for researchers who would like to use XL-MS to study their protein of interest and help ensure a successful cross-linking experiment from the beginning. Data are available via ProteomeXchange with identifier PXD045792. Computer science ; Identifier ; Mass spectrometry ; Computational biology ; Chemistry ; Data mining ; Biology ; Chromatography Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Advanced Proteomics Techniques and Applications