jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Javier Plou | Pablo S. Valera | Isabel Garcı́a | Carlos Diego L. de Albuquerque | Arkaitz Carracedo | Luis M. Liz‐Marzán
Source: ACS Photonics (review, 2022-02-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Prospects of Surface-Enhanced Raman Spectroscopy for Biomarker Monitoring toward Precision Medicine Future precision medicine will be undoubtedly sustained by the detection of validated biomarkers that enable a precise classification of patients based on their predicted disease risk, prognosis, and response to a specific treatment. Up to now, genomics, transcriptomics, and immunohistochemistry have been the main clinically amenable tools at hand for identifying key diagnostic, prognostic, and predictive biomarkers. However, other molecular strategies, including metabolomics, are still in their infancy and require the development of new biomarker detection technologies, toward routine implementation into clinical diagnosis. In this context, surface-enhanced Raman scattering (SERS) spectroscopy has been recognized as a promising technology for clinical monitoring thanks to its high sensitivity and label-free operation, which should help accelerate the discovery of biomarkers and their corresponding screening in a simpler, faster, and less-expensive manner. Many studies have demonstrated the excellent performance of SERS in biomedical applications. However, such studies have also revealed several variables that should be considered for accurate SERS monitoring, in particular, when the signal is collected from biological sources (tissues, cells or biofluids). This Perspective is aimed at piecing together the puzzle of SERS in biomarker monitoring, with a view on future challenges and implications. We address the most relevant requirements of plasmonic substrates for biomedical applications, as well as the implementation of tools from artificial intelligence or biotechnology to guide the development of highly versatile sensors. Precision medicine ; Biomarker ; Context (archaeology) ; Computer science ; Nanotechnology ; Biomarker discovery ; Data science ; Computational biology ; Medicine ; Materials science ; Pathology ; Biology ; Proteomics Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Biosensors and Analytical Detection
Authors: Lizhi Liu | Dingyi Pan | Sheng Chen | Maria‐Viola Martikainen | Anna Kårlund | Jing Ke | Herkko Pulkkinen | Hanna Ruhanen | Marjut Roponen | Reijo Käkelä | Wujun Xu | Jie Wang | Vesa‐Pekka Lehto
Source: Nature Communications (article, 2022-10-19)
Field: Materials Science — Biomaterials

Systematic design of cell membrane coating to improve tumor targeting of nanoparticles Cell membrane (CM) coating technology is increasingly being applied in nanomedicine, but the entire coating procedure including adsorption, rupture, and fusion is not completely understood. Previously, we showed that the majority of biomimetic nanoparticles (NPs) were only partially coated, but the mechanism underlying this partial coating remains unclear, which hinders the further improvement of the coating technique. Here, we show that partial coating is an intermediate state due to the adsorption of CM fragments or CM vesicles, the latter of which could eventually be ruptured under external force. Such partial coating is difficult to self-repair to achieve full coating due to the limited membrane fluidity. Building on our understanding of the detailed coating process, we develop a general approach for fixing the partial CM coating: external phospholipid is introduced as a helper to increase CM fluidity, promoting the final fusion of lipid patches. The NPs coated with this approach have a high ratio of full coating (~23%) and exhibit enhanced tumor targeting ability in comparison to the NPs coated traditionally (full coating ratio of ~6%). Our results provide a mechanistic basis for fixing partial CM coating towards enhancing tumor accumulation. Coating ; Nanomedicine ; Materials science ; Nanoparticle ; Nanotechnology ; Membrane ; Lipid bilayer fusion ; Fusion ; Adsorption ; Chemical engineering ; Chemistry Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Nanopore and Nanochannel Transport Studies
Authors: Shaohua Xie | Liping Liu | Yue Lu | Chunying Wang | Sufeng Cao | Weijian Diao | Jiguang Deng | Wei Tan | Lu Ma | Steven N. Ehrlich | Yaobin Li | Yan Zhang | Kailong Ye | Hongliang Xin | Maria Flytzani‐Stephanopoulos | Fudong Liu
Source: Journal of the American Chemical Society (article, 2022-11-02)
Field: Materials Science — Materials Chemistry

Pt Atomic Single-Layer Catalyst Embedded in Defect-Enriched Ceria for Efficient CO Oxidation The local coordination structure of metal sites essentially determines the performance of supported metal catalysts. Using a surface defect enrichment strategy, we successfully fabricated Pt atomic single-layer (Pt<sub>ASL</sub>) structures with 100% metal dispersion and precisely controlled local coordination environment (embedded <i>vs</i> adsorbed) derived from Pt single-atoms (Pt<sub>1</sub>) on ceria-alumina supports. The local coordination environment of Pt<sub>1</sub> not only governs its catalytic activity but also determines the Pt<sub>1</sub> structure evolution upon reduction activation. For CO oxidation, the highest turnover frequency can be achieved on the embedded Pt<sub>ASL</sub> in the CeO<sub>2</sub> lattice, which is 3.5 times of that on the adsorbed Pt<sub>ASL</sub> on the CeO<sub>2</sub> surface and 10-70 times of that on Pt<sub>1</sub>. The favorable CO adsorption on embedded Pt<sub>ASL</sub> and improved activation/reactivity of lattice oxygen within CeO<sub>2</sub> effectively facilitate the CO oxidation. This work provides new insights for the precise control of the local coordination structure of active metal sites for achieving 100% atomic utilization efficiency and optimal intrinsic catalytic activity for targeted reactions simultaneously. Chemistry ; Catalysis ; Adsorption ; Metal ; Dispersion (optics) ; Oxygen ; Heterogeneous catalysis ; Reactivity (psychology) ; Coordination number ; Chemical engineering ; Inorganic chemistry ; Physical chemistry ; Organic chemistry ; Ion Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Catalysis and Oxidation Reactions
Authors: Chang‐Ping Feng | Fang Wei | Kai-Yin Sun | Yan Wang | Hongbo Lan | Hongjing Shang | Fazhu Ding | Lu Bai | Jie Yang | Wei Yang
Source: Nano-Micro Letters (review, 2022-06-14)
Field: Materials Science — Materials Chemistry

Emerging Flexible Thermally Conductive Films: Mechanism, Fabrication, Application Effective thermal management is quite urgent for electronics owing to their ever-growing integration degree, operation frequency and power density, and the main strategy of thermal management is to remove excess energy from electronics to outside by thermal conductive materials. Compared to the conventional thermal management materials, flexible thermally conductive films with high in-plane thermal conductivity, as emerging candidates, have aroused greater interest in the last decade, which show great potential in thermal management applications of next-generation devices. However, a comprehensive review of flexible thermally conductive films is rarely reported. Thus, we review recent advances of both intrinsic polymer films and polymer-based composite films with ultrahigh in-plane thermal conductivity, with deep understandings of heat transfer mechanism, processing methods to enhance thermal conductivity, optimization strategies to reduce interface thermal resistance and their potential applications. Lastly, challenges and opportunities for the future development of flexible thermally conductive films are also discussed. Fabrication ; Electrical conductor ; Mechanism (biology) ; Materials science ; Nanotechnology ; Optoelectronics ; Engineering physics ; Composite material ; Engineering ; Physics Thermal properties of materials ; Thermal Radiation and Cooling Technologies ; Heat Transfer and Optimization
Authors: Reta Birhanu Kitata | Jhih‐Ci Yang | Yu‐Ju Chen
Source: Mass Spectrometry Reviews (review, 2022-05-29)
Field: Chemistry — Spectroscopy

Advances in data‐independent acquisition mass spectrometry towards comprehensive digital proteome landscape The data-independent acquisition mass spectrometry (DIA-MS) has rapidly evolved as a powerful alternative for highly reproducible proteome profiling with a unique strength of generating permanent digital maps for retrospective analysis of biological systems. Recent advancements in data analysis software tools for the complex DIA-MS/MS spectra coupled to fast MS scanning speed and high mass accuracy have greatly expanded the sensitivity and coverage of DIA-based proteomics profiling. Here, we review the evolution of the DIA-MS techniques, from earlier proof-of-principle of parallel fragmentation of all-ions or ions in selected m/z range, the sequential window acquisition of all theoretical mass spectra (SWATH-MS) to latest innovations, recent development in computation algorithms for data informatics, and auxiliary tools and advanced instrumentation to enhance the performance of DIA-MS. We further summarize recent applications of DIA-MS and experimentally-derived as well as in silico spectra library resources for large-scale profiling to facilitate biomarker discovery and drug development in human diseases with emphasis on the proteomic profiling coverage. Toward next-generation DIA-MS for clinical proteomics, we outline the challenges in processing multi-dimensional DIA data set and large-scale clinical proteomics, and continuing need in higher profiling coverage and sensitivity. Profiling (computer programming) ; Proteomics ; Chemistry ; Mass spectrometry ; Data acquisition ; Fragmentation (computing) ; Proteome ; Computer science ; Data mining ; Computational biology ; Chromatography Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Wei Jiang | Zhaohui Wang
Source: Journal of the American Chemical Society (review, 2022-07-29)
Field: Chemistry — Organic Chemistry

Molecular Carbon Imides The creation and development of new forms of nanocarbons have fundamentally transformed the scientific landscape in the past three decades. As new members of the nanocarbon family with accurate size, shape, and edge structure, molecular carbon imides (MCIs) have shown unexpected and unique properties. Particularly, the imide functionalization strategy has endowed these rylene-based molecular carbons with fascinating characteristics involving flexible syntheses, tailor-made structures, diverse properties, excellent processability, and good stability. This Perspective elaborates molecular design evolution to functional landscapes, and illustrative examples are given, including a promising library of multi-size and multi-dimensional MCIs with rigidly conjugated π-architectures, ranging from 1D nanoribbon imides and 2D nanographene imides to cross-dimensional MCIs. Although researchers have achieved substantial progress in using MCIs as functional components for exploration of charge transport, photoelectric conversion, and chiral luminescence performances, they are far from unleashing their full potential. Developing highly efficient and regioselective coupling/ring-closure reactions involving the formation of multiple C-C bonds and the annulation of electron-deficient aromatic units is crucial. Prediction by theory with the help of machine learning and artificial intelligence research along with reliable nanotechnology characterization will give an impetus to the blossom of related fields. Future investigations will also have to advance toward─or even focus on─the emerging potential functions, especially in the fields of chiral electronics and spin electronics, which are expected to open new avenues. Chemistry ; Nanotechnology ; Density functional theory ; Conjugated system ; Computational chemistry ; Organic chemistry ; Polymer ; Materials science Synthesis and Properties of Aromatic Compounds ; Graphene research and applications ; Fullerene Chemistry and Applications
Authors: Longfei Li | Ruinan Hao | Junjie Qin | Jian Song | Xiaofeng Chen | Feng Rao | Jiliang Zhai | Yu Zhao | Liqun Zhang | Jiajia Xue
Source: Advanced Fiber Materials (article, 2022-09-16)
Field: Materials Science — Biomaterials

Electrospun Fibers Control Drug Delivery for Tissue Regeneration and Cancer Therapy Abstract Versatile strategies have been developed to construct electrospun fiber-based drug delivery systems for tissue regeneration and cancer therapy. We first introduce the construction of electrospun fiber scaffolds and their various structures, as well as various commonly used types of drugs. Then, we discuss some representative strategies for controlling drug delivery by electrospun fibers, with specific emphasis on the design of endogenous and external stimuli-responsive drug delivery systems. Afterwards, we summarize the recent progress on controlling drug delivery with electrospun fiber scaffolds for tissue engineering, including soft tissue engineering (such as skin, nerve, and cardiac repair) and hard tissue engineering (such as bone, cartilage, and musculoskeletal systems), as well as for cancer therapy. Furthermore, we provide future development directions and challenges facing the use of electrospun fibers for controlled drug delivery, aiming to provide insights and perspectives for the development of smart drug delivery platforms and improve clinical therapeutic effects in tissue regeneration and cancer therapy. Graphical abstract Drug delivery ; Regeneration (biology) ; Tissue engineering ; Biomedical engineering ; Cancer therapy ; Cancer ; Nanotechnology ; Medicine ; Materials science ; Biology ; Cell biology ; Internal medicine Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Nerve injury and regeneration
Authors: Honggen Peng | Tao Dong | Shenyou Yang | Hao Chen | Zhenzhen Yang | Wenming Liu | Chi He | Peng Wu | Jinshu Tian | Yue Peng | Xuefeng Chu | Daishe Wu | Taicheng An | Yong Wang | Sheng Dai
Source: Nature Communications (article, 2022-01-13)
Field: Materials Science — Materials Chemistry

Intra-crystalline mesoporous zeolite encapsulation-derived thermally robust metal nanocatalyst in deep oxidation of light alkanes Zeolite-confined metal nanoparticles (NPs) have attracted much attention owing to their superior sintering resistance and broad applications for thermal and environmental catalytic reactions. However, the pore size of the conventional zeolites is usually below 2 nm, and reactants are easily blocked to access the active sites. Herein, a facile in situ mesoporogen-free strategy is developed to design and synthesize palladium (Pd) NPs enveloped in a single-crystalline zeolite (silicalite-1, S-1) with intra-mesopores (termed Pd@IM-S-1). Pd@IM-S-1 exhibited remarkable light alkanes deep oxidation performances, and it should be attributed to the confinement and guarding effect of the zeolite shell and the improvement in mass-transfer efficiency and active metal sites accessibility. The Pd-PdO interfaces as a new active site can provide active oxygen species to the first C-H cleavage of light alkanes. This work exemplifies a promising strategy to design other high-performance intra-crystalline mesoporous zeolite-confined metal/metal oxide catalysts for high-temperature industrial thermal catalysis. Zeolite ; Mesoporous material ; Catalysis ; Materials science ; Chemical engineering ; Nanoparticle ; Metal ; Sintering ; Oxide ; Nanotechnology ; Chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Zeolite Catalysis and Synthesis
Authors: Nikita Fedik | R.I. Zubatyuk | Maksim Kulichenko | Nicholas Lubbers | Justin S. Smith | Benjamin Nebgen | Richard A. Messerly | Ying Wai Li | Alexander I. Boldyrev | Kipton Barros | Olexandr Isayev | Sergei Tretiak
Source: Nature Reviews Chemistry (review, 2022-08-25)
Field: Materials Science — Materials Chemistry

Extending machine learning beyond interatomic potentials for predicting molecular properties Generality ; Dipole ; Machine learning ; Computer science ; Interatomic potential ; Artificial intelligence ; Quantum chemical ; Artificial neural network ; Transferability ; Statistical physics ; Force field (fiction) ; Molecular dynamics ; Physics ; Chemistry ; Computational chemistry ; Quantum mechanics ; Molecule Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Protein Structure and Dynamics
Authors: Zhaoyang Liu | Shuai Fu | Xiaomin Liu | Akimitsu Narita | Paolo Samorı́ | Mischa Bonn | Hai I. Wang
Source: Advanced Science (review, 2022-02-26)
Field: Materials Science — Materials Chemistry

Small Size, Big Impact: Recent Progress in Bottom‐Up Synthesized Nanographenes for Optoelectronic and Energy Applications Bottom-up synthesized graphene nanostructures, including 0D graphene quantum dots and 1D graphene nanoribbons, have recently emerged as promising candidates for efficient, green optoelectronic, and energy storage applications. The versatility in their molecular structures offers a large and novel library of nanographenes with excellent and adjustable optical, electronic, and catalytic properties. In this minireview, recent progress on the fundamental understanding of the properties of different graphene nanostructures, and their state-of-the-art applications in optoelectronics and energy storage are summarized. The properties of pristine nanographenes, including high emissivity and intriguing blinking effect in graphene quantum dots, superior charge transport properties in graphene nanoribbons, and edge-specific electrochemistry in various graphene nanostructures, are highlighted. Furthermore, it is shown that emerging nanographene-2D material-based van der Waals heterostructures provide an exciting opportunity for efficient green optoelectronics with tunable characteristics. Finally, challenges and opportunities of the field are highlighted by offering guidelines for future combined efforts in the synthesis, assembly, spectroscopic, and electrical studies as well as (nano)fabrication to boost the progress toward advanced device applications. Graphene ; Nanotechnology ; Materials science ; Heterojunction ; Quantum dot ; Nanostructure ; Optoelectronics Graphene research and applications ; Carbon and Quantum Dots Applications ; 2D Materials and Applications
Authors: Julia Nowak‐Jary | Beata Machnicka
Source: Journal of Nanobiotechnology (review, 2022-06-27)
Field: Materials Science — Biomaterials

Pharmacokinetics of magnetic iron oxide nanoparticles for medical applications Magnetic iron oxide nanoparticles (MNPs) have been under intense investigation for at least the last five decades as they show enormous potential for many biomedical applications, such as biomolecule separation, MRI imaging and hyperthermia. Moreover, a large area of research on these nanostructures is concerned with their use as carriers of drugs, nucleic acids, peptides and other biologically active compounds, often leading to the development of targeted therapies. The uniqueness of MNPs is due to their nanometric size and unique magnetic properties. In addition, iron ions, which, along with oxygen, are a part of the MNPs, belong to the trace elements in the body. Therefore, after digesting MNPs in lysosomes, iron ions are incorporated into the natural circulation of this element in the body, which reduces the risk of excessive storage of nanoparticles. Still, one of the key issues for the therapeutic applications of magnetic nanoparticles is their pharmacokinetics which is reflected in the circulation time of MNPs in the bloodstream. These characteristics depend on many factors, such as the size and charge of MNPs, the nature of the polymers and any molecules attached to their surface, and other. Since the pharmacokinetics depends on the resultant of the physicochemical properties of nanoparticles, research should be carried out individually for all the nanostructures designed. Almost every year there are new reports on the results of studies on the pharmacokinetics of specific magnetic nanoparticles, thus it is very important to follow the achievements on this matter. This paper reviews the latest findings in this field. The mechanism of action of the mononuclear phagocytic system and the half-lives of a wide range of nanostructures are presented. Moreover, factors affecting clearance such as hydrodynamic and core size, core morphology and coatings molecules, surface charge and technical aspects have been described. Magnetic nanoparticles ; Nanoparticle ; Iron oxide nanoparticles ; Nanotechnology ; Pharmacokinetics ; Biomolecule ; Chemistry ; Nanostructure ; Iron oxide ; Magnetic hyperthermia ; Materials science ; Bioinformatics ; Organic chemistry Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Iron Metabolism and Disorders
Authors: Zhuochao Wang | Guangwei Hu | Xinwei Wang | Xumin Ding | Kuang Zhang | Haoyu Li | Shah Nawaz Burokur | Qun Wu | Jian Liu | Jiubin Tan | Cheng‐Wei Qiu
Source: Nature Communications (article, 2022-04-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Single-layer spatial analog meta-processor for imaging processing Computational meta-optics brings a twist on the accelerating hardware with the benefits of ultrafast speed, ultra-low power consumption, and parallel information processing in versatile applications. Recent advent of metasurfaces have enabled the full manipulation of electromagnetic waves within subwavelength scales, promising the multifunctional, high-throughput, compact and flat optical processors. In this trend, metasurfaces with nonlocality or multi-layer structures are proposed to perform analog optical computations based on Green's function or Fourier transform, intrinsically constrained by limited operations or large footprints/volume. Here, we showcase a Fourier-based metaprocessor to impart customized highly flexible transfer functions for analog computing upon our single-layer Huygens' metasurface. Basic mathematical operations, including differentiation and cross-correlation, are performed by directly modulating complex wavefronts in spatial Fourier domain, facilitating edge detection and pattern recognition of various image processing. Our work substantiates an ultracompact and powerful kernel processor, which could find important applications for optical analog computing and image processing. Wavefront ; Computer science ; Analog signal processing ; Throughput ; Fourier transform ; Image processing ; Spatial light modulator ; Computation ; Fast Fourier transform ; Kernel (algebra) ; Spatial frequency ; Signal processing ; Optics ; Digital signal processing ; Computer hardware ; Physics ; Artificial intelligence ; Telecommunications ; Algorithm ; Image (mathematics) Metamaterials and Metasurfaces Applications ; Neural Networks and Reservoir Computing ; Random lasers and scattering media