jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Rocío Ríos‐Reina | Silvana M. Azcarate
Source: Chemosensors (article, 2022-12-22)
Field: Chemistry — Analytical Chemistry

How Chemometrics Revives the UV-Vis Spectroscopy Applications as an Analytical Sensor for Spectralprint (Nontargeted) Analysis In recent years, methodologies based on spectral analysis, using ultraviolet–visible (UV-Vis) radiation, have experienced an amazing development and have been widely applied in various fields such as agricultural, food, pharmaceutical, and environmental sciences. This straightforward technique has re-emerged with novel and challenging proposals to solve, in a direct and fast way, a wide variety of problems. These reaches would not have been possible without the essential support of chemometrics. In this sense, under the general background of the development in data and computer science, and other technologies, the emergence of innovative ideas, approaches, and strategies endows UV-Vis spectroscopy with a new vitality as an analytical sensor with the capability of significantly improving both the robustness and accuracy of results. This review presents modern UV-Vis spectral analysis, which is on the rise, associated with comprehensive chemometric methods that have become known in the last six years, especially from the perspective of practicability, including spectral preprocessing, wavelength (variable) selection, data dimension reduction, quantitative calibration, pattern recognition, and multispectral data fusion. Most importantly, it will foresee future trends of UV-Vis spectroscopy as an analytical sensor for a spectralprint (nontargeted) analysis. Chemometrics ; Multispectral image ; Computer science ; Hyperspectral imaging ; Robustness (evolution) ; Spectroscopy ; Ultraviolet visible spectroscopy ; Preprocessor ; Sensor fusion ; Artificial intelligence ; Chemistry ; Machine learning ; Physics Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Lu Li | Cuiji Sun | Yaoting Sun | Zhen Dong | Runxin Wu | Xiaoting Sun | Hanbin Zhang | Wenhao Jiang | Yan Zhou | Xufeng Cen | Shang Cai | Hongguang Xia | Yi Zhu | Tiannan Guo | Kiryl D. Piatkevich
Source: Nature Communications (article, 2022-11-30)
Field: Chemistry — Spectroscopy

Spatially resolved proteomics via tissue expansion Spatially resolved proteomics is an emerging approach for mapping proteome heterogeneity of biological samples, however, it remains technically challenging due to the complexity of the tissue microsampling techniques and mass spectrometry analysis of nanoscale specimen volumes. Here, we describe a spatially resolved proteomics method based on the combination of tissue expansion with mass spectrometry-based proteomics, which we call Expansion Proteomics (ProteomEx). ProteomEx enables quantitative profiling of the spatial variability of the proteome in mammalian tissues at ~160 µm lateral resolution, equivalent to the tissue volume of 0.61 nL, using manual microsampling without the need for custom or special equipment. We validated and demonstrated the utility of ProteomEx for streamlined large-scale proteomics profiling of biological tissues including brain, liver, and breast cancer. We further applied ProteomEx for identifying proteins associated with Alzheimer's disease in a mouse model by comparative proteomic analysis of brain subregions. Proteomics ; Proteome ; Computational biology ; Quantitative proteomics ; Mass spectrometry ; Profiling (computer programming) ; Proteogenomics ; Biology ; Bioinformatics ; Computer science ; Chemistry ; Genome ; Genomics ; Chromatography ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Single-cell and spatial transcriptomics
Authors: M. van Breugel | Ivan Rosa e Silva | Antonina Andreeva
Source: Communications Biology (article, 2022-04-05)
Field: Materials Science — Materials Chemistry

Structural validation and assessment of AlphaFold2 predictions for centrosomal and centriolar proteins and their complexes Obtaining the high-resolution structures of proteins and their complexes is a crucial aspect of understanding the mechanisms of life. Experimental structure determination methods are time-consuming, expensive and cannot keep pace with the growing number of protein sequences available through genomic DNA sequencing. Thus, the ability to accurately predict the structure of proteins from their sequence is a holy grail of structural and computational biology that would remove a bottleneck in our efforts to understand as well as rationally engineer living systems. Recent advances in protein structure prediction, in particular the breakthrough with the AI-based tool AlphaFold2 (AF2), hold promise for achieving this goal, but the practical utility of AF2 remains to be explored. Focusing on proteins with essential roles in centrosome and centriole biogenesis, we demonstrate the quality and usability of the AF2 prediction models and we show that they can provide important insights into the modular organization of two key players in this process, CEP192 and CEP44. Furthermore, we used the AF2 algorithm to elucidate and then experimentally validate previously unknown prime features in the structure of TTBK2 bound to CEP164, as well as the Chibby1-FAM92A complex for which no structural information was available to date. These findings have important implications in understanding the regulation and function of these complexes. Finally, we also discuss some practical limitations of AF2 and anticipate the implications for future research approaches in the centriole/centrosome field. Centrosome ; Centriole ; Computational biology ; Computer science ; Biology ; Bottleneck ; Modular design ; Process (computing) ; Microtubule ; Cell biology ; Genetics Enzyme Structure and Function ; Photosynthetic Processes and Mechanisms ; Microtubule and mitosis dynamics
Authors: Hanting Zhao | Shengguo Hu | Hongrui Zhang | Zhuo Wang | Hao Dong | Philipp del Hougne | Tie Jun Cui | Lianlin Li
Source: National Science Review (article, 2022-11-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Intelligent indoor metasurface robotics Intelligent indoor robotics is expected to rapidly gain importance in crucial areas of our modern society such as at-home health care and factories. Yet, existing mobile robots are limited in their ability to perceive and respond to dynamically evolving complex indoor environments because of their inherently limited sensing and computing resources that are, moreover, traded off against their cruise time and payload. To address these formidable challenges, here we propose intelligent indoor metasurface robotics (I2MR), where all sensing and computing are relegated to a centralized robotic brain endowed with microwave perception; and I2MR's limbs (motorized vehicles, airborne drones, etc.) merely execute the wirelessly received instructions from the brain. The key aspect of our concept is the centralized use of a computation-enabled programmable metasurface that can flexibly mold microwave propagation in the indoor wireless environment, including a sensing and localization modality based on configurational diversity and a communication modality to establish a preferential high-capacity wireless link between the I2MR's brain and limbs. The metasurface-enhanced microwave perception is capable of realizing low-latency and high-resolution three-dimensional imaging of humans, even around corners and behind thick concrete walls, which is the basis for action decisions of the I2MR's brain. I2MR is thus endowed with real-time and <i>full</i>-context awareness of its operating indoor environment. We implement, experimentally, a proof-of-principle demonstration at ∼2.4 GHz, in which I2MR provides health-care assistance to a human inhabitant. The presented strategy opens a new avenue for the conception of smart and wirelessly networked indoor robotics. Robotics ; Computer science ; Artificial intelligence ; Modality (human–computer interaction) ; Wireless ; Payload (computing) ; Robot ; Key (lock) ; Human–computer interaction ; Perception ; Telecommunications ; Computer security Metamaterials and Metasurfaces Applications ; Opportunistic and Delay-Tolerant Networks ; Advanced Wireless Communication Technologies
Authors: Zulqurnain Sabir | Mohamed R. Ali | R. Sadat
Source: Journal of Ambient Intelligence and Humanized Computing (article, 2022-01-18)
Field: Chemistry — Analytical Chemistry

Gudermannian neural networks using the optimization procedures of genetic algorithm and active set approach for the three-species food chain nonlinear model Correctness ; Nonlinear system ; Genetic algorithm ; Artificial neural network ; Computer science ; Set (abstract data type) ; Food chain ; Mathematical optimization ; Reliability (semiconductor) ; Chain (unit) ; Fitness function ; Algorithm ; Computational intelligence ; Artificial intelligence ; Mathematics ; Machine learning ; Ecology ; Biology Spectroscopy and Chemometric Analyses
Authors: Yu Lu | Di Zhu | Quynh Chi Le | Yuji Wang | Wei Wang
Source: Nanoscale (review, 2022-01-01)
Field: Materials Science — Biomaterials

Ruthenium-based antitumor drugs and delivery systems from monotherapy to combination therapy Ruthenium complex is an important compound group for antitumor drug research and development. NAMI-A, KP1019, TLD1433 and other ruthenium complexes have entered clinical research. In recent years, the research on ruthenium antitumor drugs has not been limited to single chemotherapy drugs; other applications of ruthenium complexes have emerged such as in combination therapy. During the development of ruthenium complexes, drug delivery forms of ruthenium antitumor drugs have also evolved from single-molecule drugs to nanodrug delivery systems. The review summarizes the following aspects: (1) ruthenium complexes from monotherapy to combination therapy, including the development of single-molecule compounds, carrier nanomedicine, and self-assembly of carrier-free nanomedicine; (2) ruthenium complexes in the process of ADME in terms of absorption, distribution, metabolism and excretion; (3) the applications of ruthenium complexes in combination therapy, including photodynamic therapy (PDT), photothermal therapy (PTT), photoactivated chemotherapy (PACT), immunotherapy, and their combined application; (4) the future prospects of ruthenium-based antitumor drugs. Ruthenium ; ADME ; Nanomedicine ; Photothermal therapy ; Drug delivery ; Combination therapy ; Pharmacology ; Drug ; Combinatorial chemistry ; Nanotechnology ; Chemistry ; Medicine ; Materials science ; Organic chemistry ; Catalysis Nanoparticle-Based Drug Delivery ; Metal complexes synthesis and properties ; Radiopharmaceutical Chemistry and Applications
Authors: Jia En Aw | Xiang Zhang | Arif Z. Nelson | Leon M. Dean | Mostafa Yourdkhani | Randy H. Ewoldt | Philippe H. Geubelle | Nancy R. Sottos
Source: Advanced Materials Technologies (article, 2022-04-27)
Field: Chemistry — Organic Chemistry

Self‐Regulative Direct Ink Writing of Frontally Polymerizing Thermoset Polymers Abstract The ability to manufacture highly intricate designs is one of the key advantages of 3D printing. Achieving high dimensional accuracy requires precise, often time‐consuming calibration of the process parameters. Computerized feedback control systems for 3D printing enable sensing and real‐time adaptation and optimization of these parameters at every stage of the print, but multiple challenges remain with sensor embedment and measurement accuracy. In contrast to these active control approaches, here, the authors harness frontal polymerization (FP) to rapidly cure extruded filament in tandem with the printing process. A temperature gradient present along the filament, which is dependent on the printing parameters, can impose control over this exothermic reaction. Experiments and theory reveal a self‐regulative mechanism between filament temperature and cure kinetics that allows the frontal cure speed to autonomously match the print speed. This self‐regulative printing process rapidly adapts to changes in print speed and environmental conditions to produce complex, high‐fidelity structures and freestanding architectures spanning up to 100 mm, greatly expanding the capabilities of direct ink writing (DIW). Thermosetting polymer ; Inkwell ; Computer science ; Process (computing) ; 3D printing ; Exothermic reaction ; Materials science ; Protein filament ; Temperature control ; Nanotechnology ; Polymer ; Mechanical engineering ; Composite material ; Chemistry ; Engineering Photopolymerization techniques and applications ; Additive Manufacturing and 3D Printing Technologies ; Nanofabrication and Lithography Techniques
Authors: Ilia B. Moroz | Michal Leskes
Source: Annual Review of Materials Research (article, 2022-03-09)
Field: Chemistry — Spectroscopy

Dynamic Nuclear Polarization Solid-State NMR Spectroscopy for Materials Research Solid-state nuclear magnetic resonance (NMR) spectroscopy has increasingly been used for materials characterization as it enables selective detection of elements of interest, as well as their local structure and dynamic properties. Nevertheless, utilization of NMR is limited by its inherent low sensitivity. The development of dynamic nuclear polarization (DNP) approaches, which provide enormous sensitivity gain in NMR through the transfer of polarization from electron spins, has transformed the application of solid-state NMR in materials science. In this review, we outline the opportunities for materials characterization that DNP has opened up. We describe the main DNP mechanisms available, their implementation, and the kinds of insight they can provide across different materials classes, from surfaces and interfaces to defects in the bulk of solids. Finally, we discuss the current limitations of the approach and provide an outlook on future developments for DNP-enhanced NMR spectroscopy in materials science. Characterization (materials science) ; Nuclear magnetic resonance spectroscopy ; Solid-state nuclear magnetic resonance ; Spins ; Materials science ; Spectroscopy ; Polarization (electrochemistry) ; Nuclear magnetic resonance crystallography ; Chemical physics ; Fluorine-19 NMR ; Nanotechnology ; Nuclear magnetic resonance ; Chemistry ; Physical chemistry ; Physics ; Condensed matter physics Advanced NMR Techniques and Applications ; Solid-state spectroscopy and crystallography ; Advanced Condensed Matter Physics
Authors: Yongrui Yang | Tao Zhu | Lening Shen | Yanghe Liu | Dong Zhang | Bowen Zheng | Keven Gong | Jie Zheng | Xiong Gong
Source: SmartMat (article, 2022-04-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent progress in the all‐solid‐state flexible supercapacitors Abstract In the past few years, supercapacitors (SCs) have attracted great attention in both academic and industrial sectors due to their high energy storage efficiency, reliable stability, and eco‐friendly process. Flexible solid‐state SCs as one of the ongoing focuses for the development of wearable and portable electronics have become the most promising energy storage devices for the smart power system due to their high power density, fast electrochemical response, high efficiency on the charge‐discharge process, and excellent electrochemical stability. In this study, the recent progress in the electrodes and electrolytes used for approaching high‐performance of the all‐solid‐state flexible SCs is reviewed. We first introduce basic operational principles of various SCs. And then we overview the electrode materials including carbon materials, conducting polymers, transition metal oxides/chalcogenides/nitrides, MXenes, metal‐organic frameworks, covalent‐organic frameworks, and the polymer‐based solid‐state electrolytes in different systems. Afterward, we summarize recent progress in the development of the all‐solid‐state flexible SCs and outlook for future research directions. Supercapacitor ; MXenes ; Nanotechnology ; Materials science ; Energy storage ; Electronics ; Solid-state ; Process engineering ; Engineering physics ; Electrochemistry ; Electrical engineering ; Electrode ; Engineering ; Power (physics) ; Chemistry Supercapacitor Materials and Fabrication ; MXene and MAX Phase Materials ; Advanced battery technologies research
Authors: Narges Johari | Azin Khodaei | Alí Samadikuchaksaraei | Rui L. Reis | Subhas C. Kundu | Lorenzo Moroni
Source: Acta Biomaterialia (review, 2022-09-17)
Field: Materials Science — Biomaterials

Ancient fibrous biomaterials from silkworm protein fibroin and spider silk blends: Biomechanical patterns Silkworm silk protein fibroin and spider silk spidroin are known biocompatible and natural biodegradable polymers in biomedical applications. The presence of β-sheets in silk fibroin and spider spidroin conformation improves their mechanical properties. The strength and toughness of pure recombinant silkworm fibroin and spidroin are relatively low due to reduced molecular weight. Hence, blending is the foremost approach of recent studies to optimize silk fibroin and spidroin's mechanical properties. As summarised in the present review, numerous research investigations evaluate the blending of natural and synthetic polymers. The effects of blending silk fibroin and spidroin with natural and synthetic polymers on the mechanical properties are discussed in this review article. Indeed, combining natural and synthetic polymers with silk fibroin and spidroin changes their conformation and structure, fine-tuning the blends' mechanical properties. STATEMENT OF SIGNIFICANCE: Silkworm and spider silk proteins (silk fibroin and spidroin) are biocompatible and biodegradable natural polymers having different types of biomedical applications. Their mechanical and biological properties may be tuned through various strategies such as blending, conjugating and cross-linking. Blending is the most common method to modify fibroin and spidroin properties on demand. This review article aims to categorize and evaluate the effects of blending fibroin and spidroin with different natural and synthetic polymers. Increased polarity and hydrophilicity end to hydrogen bonding triggered conformational change in fibroin and spidroin blends. The effect of polarity and hydrophilicity of the blending compound has been discussed in relation to the structural and mechanical properties of the biomaterials. These effects have been categorized to combinatorial, synergistic and indirect impact on silk fibroin and spidroin properties. This outlook guides us to choose the blending compounds mindfully as this mixing affects the biochemical and biophysical characteristics of the biomaterials. Fibroin ; Spider silk ; SILK ; Materials science ; Polymer science ; Polymer ; Sericin ; Natural polymers ; Nanotechnology ; Composite material Silk-based biomaterials and applications ; Biochemical and Structural Characterization ; Antimicrobial Peptides and Activities
Authors: Mojtaba Falahati | Majid Sharifi | Timo L.M. ten Hagen
Source: Journal of Nanobiotechnology (review, 2022-03-24)
Field: Materials Science — Materials Chemistry

Explaining chemical clues of metal organic framework-nanozyme nano-/micro-motors in targeted treatment of cancers: benchmarks and challenges Nowadays, nano-/micro-motors are considered as powerful tools in different areas ranging from cleaning all types of contaminants, to development of Targeted drug delivery systems and diagnostic activities. Therefore, the development and application of nano-/micro-motors based on metal-organic frameworks with nanozyme activity (abbreviated as: MOF-NZs) in biomedical activities have received much interest recently. Therefore, after investigating the catalytic properties and applications of MOF-NZs in the treatment of cancer, this study intends to point out their key role in the production of biocompatible nano-/micro-motors. Since reducing the toxicity of MOF-NZ nano-/micro-motors can pave the way for medical activities, this article examines the methods of making biocompatible nanomotors to address the benefits and drawbacks of the required propellants. In the following, an analysis of the amplified directional motion of MOF-NZ nano-/micro-motors under physiological conditions is presented, which can improve the motor behaviors in the propulsion function, conductivity, targeting, drug release, and possible elimination. Meanwhile, by explaining the use of MOF-NZ nano-/micro-motors in the treatment of cancer through the possible synergy of nanomotors with different therapies, it was revealed that MOF-NZ nano-/micro-motors can be effective in the treatment of cancer. Ultimately, by analyzing the potential challenges of MOF-NZ nano-/micro-motors in the treatment of cancers, we hope to encourage researchers to develop MOF-NZs-based nanomotors, in addition to opening up new ideas to address ongoing problems. Nanotechnology ; Nano- ; Neuroscience ; Computational biology ; Chemistry ; Materials science ; Biology ; Engineering ; Chemical engineering Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: R.S. Soumya | K. Raghu
Source: Journal of Cardiology (review, 2022-02-21)
Field: Materials Science — Biomaterials

Recent advances on nanoparticle-based therapies for cardiovascular diseases Nanocarriers ; Medicine ; Myocardial infarction ; Modalities ; Nanotechnology ; Therapeutic modalities ; Nanomedicine ; Drug delivery ; Nanoparticle ; Cardiology ; Drug ; Internal medicine ; Pharmacology ; Materials science Nanoparticle-Based Drug Delivery ; Electrospun Nanofibers in Biomedical Applications ; Nanoplatforms for cancer theranostics
Authors: Justina Jovaišaitė | Sven Kirschner | Steponas Raišys | Gediminas Kreiza | Paulius Baronas | Saulius Juršėnas | Matthias Wagner
Source: Angewandte Chemie International Edition (article, 2022-11-22)
Field: Materials Science — Materials Chemistry

Diboraanthracene‐Doped Polymer Systems for Colour‐Tuneable Room‐Temperature Organic Afterglow Organic ultralong room temperature phosphorescence (RTP), or organic afterglow, is a unique phenomenon, gaining widespread attention due to its far-reaching application potential and fundamental interest. Here, two laterally expanded 9,10-dimesityl-dihydro-9,10-diboraanthracene (DBA) derivatives are demonstrated as excellent afterglow materials for red and blue-green light emission, which is traced back to persistent thermally activated delayed fluorescence and RTP. The lateral substitution of polycyclic DBA scaffold, together with weak transversal electron-donating mesityl groups, ensures the optimal molecular properties for (reverse) intersystem crossing and long-lived triplet states in a rigid poly(methyl methacrylate) matrix. The achieved afterglow emission quantum yields of up to 3 % and 15 %, afterglow lifetimes up to 0.8 s and 3.2 s and afterglow durations up to 5 s and 25 s (for red and blue-green emitters, respectively) are attributed to the properties of single molecules. Afterglow ; Phosphorescence ; Intersystem crossing ; Fluorescence ; Photochemistry ; Doping ; Materials science ; OLED ; Polymer ; Chemistry ; Singlet state ; Optoelectronics ; Nanotechnology ; Atomic physics ; Physics ; Optics ; Excited state ; Composite material Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Molecular Sensors and Ion Detection