jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Wei Ma | Maojing Hou | Ruiqi Luo | Bo Xiong | Nan Liu | Guandong Liu | Tao Chu
Source: Nanophotonics (article, 2023-02-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Topologically‐optimized on‐chip metamaterials for ultra‐short‐range light focusing and mode‐size conversion The concept of metamaterials offers a flexible pathway to manipulate the macroscopic behavior of light by delicately designed microscopic subwavelength structures, which has been recently introduced to integrated photonics to create devices with ultra-compact footprint, excellent performance or versatile functionalities. However, the conventional design approach of metamaterials, including two separated steps of subwavelength structure design and the assembly of unit cells, often encounters challenges when facing extreme design targets. In this work, we propose a hierarchical inverse design approach by cascading a conventional unit-cell-based design with a holistic topology optimization. As a proof-of-concept, we demonstrate ultra-short-range light focusing and mode-size conversion enabled by on-chip meta-lenses. The shortening of tapering region pushes higher numerical aperture of on-chip lenses, leading to the violation of locally periodic approximation used in meta-lens design and thus poor device performance, which fortunately, can be well compensated by the follow-up holistic optimization step. We experimentally realize mode-size squeezing by almost 20 times in a tapering region as short as 8 μm and 5 μm with low insertion loss and broadband performance. The proposed design scheme provides practical guidelines to design metamaterials as flexible on-chip wavefront control and light routing devices for various applications in fiber communication, sensing and optical computing. Metamaterial ; Tapering ; Computer science ; Photonics ; Wavefront ; Chip ; Nanophotonics ; Lens (geology) ; Optics ; Materials science ; Electronic engineering ; Optoelectronics ; Physics ; Telecommunications ; Engineering Metamaterials and Metasurfaces Applications ; Photonic Crystals and Applications ; Advanced Antenna and Metasurface Technologies
Authors: Lok Hin Law | Jianpan Huang | Peng Xiao | Yang Liu | Zilin Chen | Joseph H. C. Lai | Xiongqi Han | Gerald Wai‐Yeung Cheng | Kai‐Hei Tse | Kannie W. Y. Chan
Source: Journal of Controlled Release (article, 2023-01-10)
Field: Materials Science — Materials Chemistry

Multiple CEST contrast imaging of nose-to-brain drug delivery using iohexol liposomes at 3T MRI Image guided nose-to-brain drug delivery provides a non-invasive way to monitor drug delivered to the brain, and the intranasal administration could increase effective dose via bypassing Blood Brain Barrier (BBB). Here, we investigated the imaging of liposome-based drug delivery to the brain via intranasal administration, in which the liposome could penetrate mucus and could be detected by chemical exchange saturation transfer (CEST) magnetic resonance imaging (MRI) at 3T field strength. Liposomes were loaded with a computed tomography (CT) contrast agent, iohexol (Ioh-Lipo), which has specific amide protons exchanging at 4.3 ppm of Z-spectrum (or CEST spectrum). Ioh-Lipo generated CEST contrasts of 35.4% at 4.3 ppm, 1.8% at -3.4 ppm and 20.6% at 1.2 ppm in vitro. After intranasal administration, these specific CEST contrasts were observed in both olfactory bulb (OB) and frontal lobe (FL) in the case of 10% polyethylene glycol (PEG) Ioh-Lipo. We observed obvious increases in CEST contrast in OB half an hour after the injection of 10% PEG Ioh-Lipo, with a percentage increase of 62.0% at 4.3 ppm, 10.9% at -3.4 ppm and 25.7% at 1.2 ppm. Interestingly, the CEST map at 4.3 ppm was distinctive from that at -3.4 pm and 1.2 ppm. The highest contrast of 4.3 ppm was at the external plexiform layer (EPL) and the region between left and right OB (LROB), while the CEST contrast at -3.4 ppm had no significant difference among all investigated regions with slightly higher signal in olfactory limbus (OL, between OB and FL) and FL, as validated with histology. While no substantial increase of CEST contrast at 4.3 ppm, -3.4 ppm or 1.2 ppm was observed in OB and FL when 1% PEG Ioh-Lipo was administered. We demonstrated for the first time the feasibility of non-invasively detecting the nose-to-brain delivery of liposomes using CEST MRI. This multiple-contrast approach is necessary to image the specific distribution of iohexol and liposome simultaneously and independently, especially when designing drug carriers for nose-to-brain drug delivery. Chemistry ; Nasal administration ; Iohexol ; Liposome ; Magnetic resonance imaging ; Drug delivery ; Nuclear medicine ; Nuclear magnetic resonance ; Pharmacology ; Medicine ; Radiology ; Renal function ; Biochemistry Lanthanide and Transition Metal Complexes ; Electron Spin Resonance Studies ; Radioactive element chemistry and processing
Authors: Ayesha Zeb | Waqar S. Qureshi | Abdul Ghafoor | Amanullah Malik | Muhammad Imran | Alina Mirza | Mohsin Islam Tiwana | Eisa Alanazi
Source: Scientific Reports (article, 2023-01-06)
Field: Chemistry — Analytical Chemistry

Towards sweetness classification of orange cultivars using short-wave NIR spectroscopy The global orange industry constantly faces new technical challenges to meet consumer demands for quality fruits. Instead of traditional subjective fruit quality assessment methods, the interest in the horticulture industry has increased in objective, quantitative, and non-destructive assessment methods. Oranges have a thick peel which makes their non-destructive quality assessment challenging. This paper evaluates the potential of short-wave NIR spectroscopy and direct sweetness classification approach for Pakistani cultivars of orange, i.e., Red-Blood, Mosambi, and Succari. The correlation between quality indices, i.e., Brix, titratable acidity (TA), Brix: TA and BrimA (Brix minus acids), sensory assessment of the fruit, and short-wave NIR spectra, is analysed. Mix cultivar oranges are classified as sweet, mixed, and acidic based on short-wave NIR spectra. Short-wave NIR spectral data were obtained using the industry standard F-750 fruit quality meter (310-1100 nm). Reference Brix and TA measurements were taken using standard destructive testing methods. Reference taste labels i.e., sweet, mix, and acidic, were acquired through sensory evaluation of samples. For indirect fruit classification, partial least squares regression models were developed for Brix, TA, Brix: TA, and BrimA estimation with a correlation coefficient of 0.57, 0.73, 0.66, and 0.55, respectively, on independent test data. The ensemble classifier achieved 81.03% accuracy for three classes (sweet, mixed, and acidic) classification on independent test data for direct fruit classification. A good correlation between NIR spectra and sensory assessment is observed as compared to quality indices. A direct classification approach is more suitable for a machine-learning-based orange sweetness classification using NIR spectroscopy than the estimation of quality indices. Sweetness ; Titratable acid ; Brix ; Orange (colour) ; Mathematics ; Cultivar ; Partial least squares regression ; Correlation coefficient ; Chemistry ; Artificial intelligence ; Food science ; Horticulture ; Statistics ; Computer science ; Biology ; Sugar Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Water Quality Monitoring and Analysis
Authors: Stefan Bieber | Thomas Letzel | Anneli Kruve
Source: Journal of the American Society for Mass Spectrometry (article, 2023-06-26)
Field: Chemistry — Spectroscopy

Electrospray Ionization Efficiency Predictions and Analytical Standard Free Quantification for SFC/ESI/HRMS Supercritical fluid chromatography (SFC) is a promising, sustainable, and complementary alternative to liquid chromatography (LC) and has often been coupled with high resolution mass spectrometry (HRMS) for nontarget screening (NTS). Recent developments in predicting the ionization efficiency for LC/ESI/HRMS have enabled quantification of chemicals detected in NTS even if the analytical standards of the detected and tentatively identified chemicals are unavailable. This poses the question of whether analytical standard free quantification can also be applied in SFC/ES/HRMS. We evaluate both the possibility to transfer an ionization efficiency predictions model, previously trained on LC/ESI/HRMS data, to SFC/ESI/HRMS as well as training a new predictive model on SFC/ESI/HRMS data for 127 chemicals. The response factors of these chemicals ranged over 4 orders of magnitude in spite of a postcolumn makeup flow, expectedly enhancing the ionization of the analytes. The ionization efficiency values were predicted based on a random forest regression model from PaDEL descriptors and predicted values showed statistically significant correlation with the measured response factors (<i>p</i> < 0.05) with Spearman's rho of 0.584 and 0.669 for SFC and LC data, respectively. Moreover, the most significant descriptors showed similarities independent of the chromatography used for collecting the training data. We also investigated the possibility to quantify the detected chemicals based on predicted ionization efficiency values. The model trained on SFC data showed very high prediction accuracy with median prediction error of 2.20×, while the model pretrained on LC/ESI/HRMS data yielded median prediction error of 5.11×. This is expected, as the training and test data for SFC/ESI/HRMS have been collected on the same instrument with the same chromatography. Still, the correlation observed between response factors measured with SFC/ESI/HRMS and predicted with a model trained on LC data hints that more abundant LC/ESI/HRMS data prove useful in understanding and predicting the ionization behavior in SFC/ESI/HRMS. Chemistry ; Chromatography ; Electrospray ionization ; Ionization ; Analyte ; Supercritical fluid chromatography ; Mass spectrometry ; Analytical Chemistry (journal) ; High-performance liquid chromatography ; Ion Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies ; Metabolomics and Mass Spectrometry Studies
Authors: Nutcha Taneepanichskul | Helen C. Hailes | Mark Miodownik
Source: Frontiers in Sustainability (article, 2023-03-14)
Field: Chemistry — Analytical Chemistry

Automatic identification and classification of compostable and biodegradable plastics using hyperspectral imaging In the UK waste management systems biodegradable and compostable packaging are not automatically detected and separated. As a result, their fate is generally landfill or incineration, neither of which is an environmentally good outcome. Thus, effective sorting technologies for compostable plastics are needed to help improve composting rates of these materials and reduce the contamination of recycling waste streams. Hyperspectral imaging (HSI) was applied in this study to develop classification models for automatically identifying and classifying compostable plastics with the analysis focused on the spectral region 950–1,730 nm. The experimental design includes a hyperspectral imaging camera, allowing different chemometric techniques to be applied including principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA) to develop a classification model for the compostable materials plastics. Materials used in this experimental analysis included compostable materials (sugarcane-derived and palm leaf derived), compostable plastics (PLA, PBAT) and conventional plastics (PP, PET, and LDPE). Our strategy was to develop a classification model to identify and categorize various fragments over the size range of 50 x 50 mm to 5 x 5 mm. Results indicated that both PCA and PLS-DA achieved classification scores of 100% when the size of material was larger than 10 mm x 10 mm. However, the misclassification rate increased to 20% for sugarcane-derived and 40% for palm leaf-based materials at sizes of 10 x 10 mm or below. In addition, for sizes of 5 x 5 mm, the misclassification rate for LDPE and PBAT increased to 20%, and for sugarcane and palm-leaf based materials to 60 and 80% respectively while the misclassification rate for PLA, PP, and PET was still 0%. The system is capable of accurately sorting compostable plastics (compostable spoons, forks, coffee lids) and differentiating them from identical looking conventional plastic items with high accuracy. Hyperspectral imaging ; Principal component analysis ; Environmental science ; Linear discriminant analysis ; Low-density polyethylene ; Sorting ; Municipal solid waste ; Incineration ; Waste management ; Pulp and paper industry ; Materials science ; Polyethylene ; Mathematics ; Computer science ; Artificial intelligence ; Engineering ; Composite material Spectroscopy and Chemometric Analyses ; Microplastics and Plastic Pollution ; Meat and Animal Product Quality
Authors: Feng Zhu | Zhongtao Yin | Qiangsen Zhao | Yun-Xiao Sun | Yuchen Jie | Jacqueline Smith | Yuze Yang | David W. Burt | Maxwell T. Hincke | Ziding Zhang | Meng-Di Yuan | Jim Kaufman | Congjiao Sun | Junying Li | Li-Wa Shao | Ning Yang | Zhuocheng Hou
Source: Communications Biology (article, 2023-12-06)
Field: Materials Science — Biomaterials

A chromosome-level genome assembly for the Silkie chicken resolves complete sequences for key chicken metabolic, reproductive, and immunity genes A set of high-quality pan-genomes would help identify important genes that are still hidden/incomplete in bird reference genomes. In an attempt to address these issues, we have assembled a de novo chromosome-level reference genome of the Silkie (Gallus gallus domesticus), which is an important avian model for unique traits, like fibromelanosis, with unclear genetic foundation. This Silkie genome includes the complete genomic sequences of well-known, but unresolved, evolutionarily, endocrinologically, and immunologically important genes, including leptin, ovocleidin-17, and tumor-necrosis factor-α. The gap-less and manually annotated MHC (major histocompatibility complex) region possesses 38 recently identified genes, with differentially regulated genes recovered in response to pathogen challenges. We also provide whole-genome methylation and genetic variation maps, and resolve a complex genetic region that may contribute to fibromelanosis in these animals. Finally, we experimentally show leptin binding to the identified leptin receptor in chicken, confirming an active leptin ligand-receptor system. The Silkie genome assembly not only provides a rich data resource for avian genome studies, but also lays a foundation for further functional validation of resolved genes. Biology ; Genome ; Gene ; Genetics ; Major histocompatibility complex Silk-based biomaterials and applications ; Biochemical and Structural Characterization ; RNA and protein synthesis mechanisms
Authors: Rani Amsaraj | Sarma Mutturi
Source: Journal of Food Science and Technology (article, 2023-02-18)
Field: Chemistry — Analytical Chemistry

Rapid detection of sunset yellow adulteration in tea powder with variable selection coupled to machine learning tools using spectral data Support vector machine ; Feature selection ; Artificial intelligence ; Extreme learning machine ; Partial least squares regression ; Random forest ; Pattern recognition (psychology) ; Adulterant ; Classifier (UML) ; Mathematics ; Computer science ; Machine learning ; Biological system ; Chemistry ; Chromatography ; Artificial neural network ; Biology Dye analysis and toxicity ; Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies
Authors: Siwen Yang | Qunshuo Wei | Rongxuan Zhao | Xin Li | Xue Zhang | Yao Li | Junjie Li | Xiaoli Jing | Xiaowei Li | Yongtian Wang | Lingling Huang
Source: Nanophotonics (article, 2023-07-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Realizing depth measurement and edge detection based on a single metasurface How to simultaneously obtain the depth, edge, and other light information of the scene to accurately perceive the physical world is an important issue for imaging systems. However, such tasks usually require bulky optical components and active illumination methods. Here, we design and experimentally validate a single geometric metasurface that can achieve depth measurement or edge detection under incoherent or coherent light respectively. Double helix point source function is utilized, and three verification experiments are carried out, including double-helix beam calibration, 2D object and 3D object detection, respectively. Additionally, two-dimensional edge detection can also be achieved. This compact imaging system can enable new applications in various fields, from machine vision to microscopy. Computer science ; Optics ; Enhanced Data Rates for GSM Evolution ; Edge detection ; Computer vision ; Point spread function ; Point (geometry) ; Calibration ; Artificial intelligence ; Microscopy ; Object detection ; Physics ; Image processing ; Image (mathematics) ; Segmentation ; Geometry ; Mathematics Metamaterials and Metasurfaces Applications ; Optical measurement and interference techniques ; Optical Wireless Communication Technologies
Authors: Jingyi Ma | Jina Wang | Quan Chen | Shengdi Chen | Mengmeng Yang | Yiming Sun | Zhaoqiang Zheng | Nengjie Huo | Yong Yan | Jingbo Li | Wei Gao
Source: Advanced Electronic Materials (article, 2023-10-22)
Field: Materials Science — Materials Chemistry

Vertical 1T’‐WTe<sub>2</sub>/WS<sub>2</sub> Schottky‐Barrier Phototransistor with Polarity‐Switching Behavior Abstract In recent years, 2D reconfigurable phototransistors (RPTs) have been applied in broadband convolutional processing, retinomorphic hardware devices, and non‐volatile memorizers. However, there has been a lack of investigation into all‐2D Schottky junctions used in RPT with polarity control behavior. Herein, a vertically stacked multilayered WS 2 /WTe 2 Schottky RPT is reported. The semimetal characteristics of 1T’‐WTe 2 is designed to form a built‐in electric field of 69 meV across the heterojunction and WS 2 exhibits gate‐tunable characteristics. Therefore, reconfigurable rectifying behavior and self‐driven bidirectional photo response can be achieved. The phototransistor possesses a gate‐tunable rectification ratio ranging from 10 −2 to 10 5 , and the corresponding logic half‐wave rectifier shows excellent switchable rectifying states. Under 635 nm illumination, the responsivity can be adjusted from −1325 to 430 mA W −1 with reversed signs. Meanwhile, the maximum power conversion efficiency is 2.84%, and the specific detectivity is 1.47 × 10 12 Jones. The device shows both negative and positive responsivity with linear gate dependence within a voltage window of 10 V. Impressively, nonvolatile photovoltaic performance can be demonstrated by reversing short‐circuit current and open‐circuit voltage by applying and releasing pulsed gate voltage. Finally, reconfigurable polarization behavior, single‐pixel imaging, and the optical logic circuit are applicable to the heterostructure. Responsivity ; Materials science ; Optoelectronics ; Schottky barrier ; Rectification ; Schottky diode ; Heterojunction ; Photodiode ; Polarity (international relations) ; Energy conversion efficiency ; Photodetector ; Voltage ; Electrical engineering ; Diode 2D Materials and Applications ; Advanced Memory and Neural Computing ; Perovskite Materials and Applications
Authors: Elena Krismer | Isabell Bludau | Maximilian T. Strauss | Matthias Mann
Source: Bioinformatics (article, 2023-08-01)
Field: Chemistry — Spectroscopy

AlphaPeptStats: an open-source Python package for automated and scalable statistical analysis of mass spectrometry-based proteomics AlphaPeptStats is implemented in Python and part of the AlphaPept framework. It is released under a permissive Apache license. The source code and one-click installers are freely available and on GitHub at https://github.com/MannLabs/alphapeptstats. Python (programming language) ; Open source ; Computer science ; Proteomics ; R package ; Mass spectrometry ; Scalability ; Open source software ; Software ; Programming language ; Chromatography ; Database ; Chemistry Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Machine Learning in Bioinformatics
Authors: F. Greco | David Codony | Hossein Mohammadi | Sonia Fernández‐Méndez | Irene Arias
Source: Journal of the Mechanics and Physics of Solids (article, 2023-10-31)
Field: Materials Science — Materials Chemistry

Topology optimization of flexoelectric metamaterials with apparent piezoelectricity The flexoelectric effect, coupling polarization and strain gradient as well as strain and electric field gradients, is universal to dielectrics, but, as compared to piezoelectricity, it is more difficult to harness as it requires field gradients and it is a small-scale effect. This drawback can be overcome by suitably designing multiscale metamaterials made of a non-piezoelectric base material but exhibiting apparent piezoelectricity. We develop a theoretical and computational framework to perform topology optimization of the representative volume element of such metamaterials by accurately modeling the governing equations of flexoelectricity using a Cartesian B-spline method, describing geometry with a level set, and resorting to genetic algorithms for optimization. We consider a multi-objective optimization problem where area fraction competes with each one of the four fundamental piezoelectric functionalities (stress/strain sensor/actuator). We computationally obtain Pareto fronts, and discuss the different geometries depending on the apparent piezoelectric coefficient being optimized. Our results show that optimal material architectures strongly depend on the specific functional property being optimized, and that, except for stress actuators, optimal structures are low-area-fraction lattices. In general, we find competitive estimations of apparent piezoelectricity as compared to reference materials such as quartz and PZT ceramics. This opens the possibility to design devices for sensing, actuation and energy harvesting from a much wider, cheaper and effective class of materials. Topology optimization ; Metamaterial ; Piezoelectricity ; Topology (electrical circuits) ; Flexoelectricity ; Materials science ; Physics ; Mathematics ; Composite material ; Finite element method ; Optoelectronics Nonlocal and gradient elasticity in micro/nano structures ; Advanced Materials and Mechanics ; Acoustic Wave Phenomena Research