jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ute Distler | Mateusz Krzysztof Łącki | Michał Startek | David Teschner | Sven Brehmer | Jens Decker | Thilo Schild | Jonathan R. Krieger | Florian Krohs | Oliver Raether | Andreas Hildebrandt | Stefan Tenzer
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-02-02)
Field: Chemistry — Spectroscopy

midiaPASEF maximizes information content in data-independent acquisition proteomics Abstract Data-independent acquisition (DIA) approaches provide comprehensive records of all detectable pre-cursor and fragment ions. Here we introduce midiaPASEF, a novel DIA scan mode using mobility-specific micro-encoding of overlapping quadrupole windows to optimally cover the ion population in the ion mobility-mass to charge plane. Using overlapping ion mobility-encoded quadrupole windows, midiaPASEF maximizes information content in DIA acquisitions which enables the determination of the precursor m/z of each fragment ion with a precision of less than 2 Th. The Snakemake-based MIDIAID pipeline integrates algorithms for multidimensional peak detection and for machine-learning-based classification of precursor-fragment relationships. The MIDIAID pipeline enables fully automated processing and multidimensional deconvolution of midia-PASEF files and exports highly specific DDA-like MSMS spectra which are suitable for de novo sequencing and can be searched directly with established tools including PEAKS, FragPipe and Mascot. midiaPASEF acquisition identifies over 40 unique peptides per second and provides powerful library-free DIA analyses including phosphopeptidome and immunopeptidome samples. Computer science ; Pipeline (software) ; Ion-mobility spectrometry ; Fragment (logic) ; Deconvolution ; Population ; Ion ; Data mining ; Mass spectrometry ; Algorithm ; Chemistry ; Operating system ; Chromatography Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Genomics and Phylogenetic Studies
Authors: Bin Zheng | Huan Lu | Chao Qian | Dexin Ye | Yu Luo | Hongsheng Chen
Source: Electromagnetic Science (article, 2023-06-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Revealing the Transformation Invariance of Full-Parameter Omnidirectional Invisibility Cloaks Searching for an optimal solution among many nonunique answers provided by transformation optics is critical for many branches of research, such as the burgeoning research on invisibility cloaks. The past decades have witnessed rapid development of transformation optics, and different kinds of invisibility cloaks have been designed and implemented. However, the available cloaks realized thus far have been mostly demonstrated with reduced parameters, which greatly impact the predefined cloaking performance. Here, we report a general design strategy to realize full-parameter omnidirectional cloaks that can hide arbitrarily shaped objects in free space. Our approach combines a singular transformation with transformation-in-variant metamaterials. The cloaking device with extreme parameters is implemented using a metallic array structure. In the experiment, two cloak samples are designed and fabricated, one with nondiscrete cloaking regions and the other with separated hidden regions. Near-unit transmission of electromagnetic waves with arbitrary incident angles is experimentally demonstrated along with significantly suppressed scattering. Our work challenges the prevailing paradigms of invisibility cloaks and provides deep insight into how transformation optics could be harnessed to obtain easily-accessible metadevices. Cloaking ; Invisibility ; Cloak ; Transformation optics ; Metamaterial ; Transformation (genetics) ; Optics ; Omnidirectional antenna ; Computer science ; Physics ; Theoretical physics ; Antenna (radio) ; Telecommunications Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Biao Li | Giansergio Menduni | Marilena Giglio | Pietro Patimisco | Angelo Sampaolo | Andrea Zifarelli | Hongpeng Wu | Tingting Wei | Vincenzo Spagnolo | Lei Dong
Source: Photoacoustics (article, 2023-03-23)
Field: Chemistry — Spectroscopy

Quartz-enhanced photoacoustic spectroscopy (QEPAS) and Beat Frequency-QEPAS techniques for air pollutants detection: A comparison in terms of sensitivity and acquisition time In this work, a comparison between Quartz Enhanced Photoacoustic Spectroscopy (QEPAS) and Beat Frequency-QEPAS (BF-QEPAS) techniques for environmental monitoring of pollutants is reported. A spectrophone composed of a T-shaped Quartz Tuning Fork (QTF) coupled with resonator tubes was employed as a detection module. An interband cascade laser has been used as an exciting source, allowing the targeting of two NO absorption features, located at 1900.07 cm<sup>-1</sup> and 1900.52 cm<sup>-1</sup>, and a water vapor absorption feature, located at 1901.76 cm<sup>-1</sup>. Minimum detection limits of 90 ppb and 180 ppb were achieved with QEPAS and BF-QEPAS techniques, respectively, for NO detection. The capability to detect multiple components in the same gas mixture using BF-QEPAS was also demonstrated. Photoacoustic spectroscopy ; Beat (acoustics) ; Materials science ; Quantum cascade laser ; Spectroscopy ; Photoacoustic imaging in biomedicine ; Optoelectronics ; Analytical Chemistry (journal) ; Optics ; Chemistry ; Physics ; Chromatography Spectroscopy and Laser Applications ; Atmospheric and Environmental Gas Dynamics ; Atmospheric Ozone and Climate
Authors: Dawei Zhang | Lei Wang | Linglong Li | Pankaj Sharma | Jan Seidel
Source: Microstructures (article, 2023-12-01)
Field: Materials Science — Materials Chemistry

Varied domain structures in 0.7Pb(Mg<sub>1/3</sub>Nb<sub>2/3</sub>)O<sub>3</sub>-0.3PbTiO<sub>3</sub> single crystals Single crystals of 0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-30PT) with a composition close to the morphotropic phase boundary have demonstrated remarkable electromechanical properties, stimulating intensive research interest in the field of piezoelectrics. Domain structures have long been associated with their overall piezoelectric properties, thereby garnering particular research interest for the enhancement of piezoelectric properties. Here, we report on three distinct domain structures in this material. Through a combination of X-ray diffraction reciprocal space mapping and piezoresponse force microscopy measurements, an M A crystal structure has been confirmed. The three-dimensional polar vectors of the three domain structures have been reconstructed with two 4M A and one 2M A domain structures. Correlations between different domain structures and their local electrical switching properties have been revealed. Our study of the PMN-30PT single crystal examines diverse domain structures at the mesoscale in detail, which provides valuable insight into the relationship between structures and properties of the material. Piezoelectricity ; Piezoresponse force microscopy ; Reciprocal lattice ; Domain (mathematical analysis) ; Materials science ; Single crystal ; Crystallography ; Phase boundary ; Ferroelectricity ; Diffraction ; Domain wall (magnetism) ; Crystal structure ; Condensed matter physics ; Phase (matter) ; Physics ; Optics ; Dielectric ; Chemistry ; Optoelectronics ; Magnetic field ; Composite material Ferroelectric and Piezoelectric Materials ; Acoustic Wave Resonator Technologies ; Multiferroics and related materials
Authors: Francisco J. Cano | Odín Reyes−Vallejo | Anuradha Ashok | M. de la L. Olvera | S. Velumani | A. Kassiba
Source: Ceramics International (article, 2023-03-31)
Field: Materials Science — Materials Chemistry

Mechanisms of dyes adsorption on titanium oxide– graphene oxide nanocomposites Adsorption ; Materials science ; Nanocomposite ; Freundlich equation ; Graphene ; Oxide ; Chemical engineering ; Langmuir ; Raman spectroscopy ; Titanium dioxide ; Titanium oxide ; Langmuir adsorption model ; Nanoparticle ; Methylene blue ; Inorganic chemistry ; Nanotechnology ; Composite material ; Photocatalysis ; Organic chemistry ; Chemistry ; Catalysis ; Metallurgy Graphene research and applications ; Nanomaterials for catalytic reactions ; Graphene and Nanomaterials Applications
Authors: Han Li | Cui Wang | Felix Glaser | Narayan Sinha | Oliver S. Wenger
Source: Journal of the American Chemical Society (article, 2023-05-15)
Field: Materials Science — Materials Chemistry

Metal–Organic Bichromophore Lowers the Upconversion Excitation Power Threshold and Promotes UV Photoreactions Sensitized triplet-triplet annihilation upconversion is a promising strategy to use visible light for chemical reactions requiring the energy input of UV photons. This strategy avoids unsafe ultraviolet light sources and can mitigate photo-damage and provide access to reactions, for which filter effects hamper direct UV excitation. Here, we report a new approach to make blue-to-UV upconversion more amenable to photochemical applications. The tethering of a naphthalene unit to a cyclometalated iridium(III) complex yields a bichromophore with a high triplet energy (2.68 eV) and a naphthalene-based triplet reservoir featuring a lifetime of 72.1 μs, roughly a factor of 20 longer than the photoactive excited state of the parent iridium(III) complex. In combination with three different annihilators, consistently lower thresholds for the blue-to-UV upconversion to crossover from a quadratic into a linear excitation power dependence regime were observed with the bichromophore compared to the parent iridium(III) complex. The upconversion system composed of the bichromophore and the 2,5-diphenyloxazole annihilator is sufficiently robust under long-term blue irradiation to continuously provide a high-energy singlet-excited state that can drive chemical reactions normally requiring UV light. Both photoredox and energy transfer catalyses were feasible using this concept, including the reductive N-O bond cleavage of Weinreb amides, a C-C coupling reaction based on reductive aryl debromination, and two Paternò-Büchi [2 + 2] cycloaddition reactions. Our work seems relevant in the context of developing new strategies for driving energetically demanding photochemistry with low-energy input light. Chemistry ; Photon upconversion ; Photochemistry ; Excitation ; Metal ; Optoelectronics ; Organic chemistry ; Ion Luminescence and Fluorescent Materials ; Perovskite Materials and Applications ; Radical Photochemical Reactions
Authors: Song-Fang Duan | Lei Song | Hongyan Guo | Hao Deng | Xing Huang | Qing‐Kun Shen | Zhe‐Shan Quan | Xiu-Mei Yin
Source: RSC Medicinal Chemistry (review, 2023-01-01)
Field: Chemistry — Organic Chemistry

Research status of indole-modified natural products Indole is a heterocyclic compound formed by the fusion of a benzene ring and pyrrole ring, which has rich biological activity. Many indole-containing compounds have been sold on the market due to their excellent pharmacological activity. For example, vincristine and reserpine have been widely used in clinical practice. The diverse structures and biological activities of natural products provide abundant resources for the development of new drugs. Therefore, this review classifies natural products by structure, and summarizes the research progress of indole-containing natural product derivatives, their biological activities, structure-activity relationship and research mechanism which has been studied in the past 13 years, so as to provide a basis for the development of new drug development. Indole test ; Pyrrole ; Natural product ; Chemistry ; Ring (chemistry) ; Combinatorial chemistry ; Computational biology ; Biology ; Biochemistry ; Organic chemistry Asymmetric Synthesis and Catalysis ; Synthesis and Characterization of Pyrroles ; Synthesis of Indole Derivatives
Authors: Pan He | Haitian Tang | Yating Zheng | Yongfu Xiong | Hongwei Cheng | Jingdong Li | Yang Zhang | Gang Liu
Source: Journal of Nanobiotechnology (review, 2023-08-24)
Field: Materials Science — Biomaterials

Advances in nanomedicines for lymphatic imaging and therapy Lymph nodes play a pivotal role in tumor progression as key components of the lymphatic system. However, the unique physiological structure of lymph nodes has traditionally constrained the drug delivery efficiency. Excitingly, nanomedicines have shown tremendous advantages in lymph node-specific delivery, enabling distinct recognition and diagnosis of lymph nodes, and hence laying the foundation for efficient tumor therapies. In this review, we comprehensively discuss the key factors affecting the specific enrichment of nanomedicines in lymph nodes, and systematically summarize nanomedicines for precise lymph node drug delivery and therapeutic application, including the lymphatic diagnosis and treatment nanodrugs and lymph node specific imaging and identification system. Notably, we delve into the critical challenges and considerations currently facing lymphatic nanomedicines, and futher propose effective strategies to address these issues. This review encapsulates recent findings, clinical applications, and future prospects for designing effective nanocarriers for lymphatic system targeting, with potential implications for improving cancer treatment strategies. Lymphatic system ; Nanocarriers ; Lymph ; Drug delivery ; Lymph node ; Medicine ; Nanomedicine ; Medical physics ; Nanotechnology ; Pathology ; Materials science Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Immunotherapy and Immune Responses
Authors: Alice Alao | A.P.I. Popoola | Modupeola Dada | Omotayo Sanni
Source: Frontiers in Energy Research (review, 2023-01-09)
Field: Materials Science — Materials Chemistry

Utilization of green inhibitors as a sustainable corrosion control method for steel in petrochemical industries: A review Infrastructure upgrades in the energy sector are encouraged to satisfy the expanding world’s energy needs, including innovation, consumption, production, and transportation. Thus, steel has been an extensively used construction material, particularly for pipelines and oil wells. However, in their application, every step of the production cycle results in the corrosion of metal parts. One of the simplest and most active ways to inhibit steel from corroding, especially in acidic situations, is to use a corrosion inhibitor. Synthetic organic compounds have been used successfully as corrosion inhibitors in the gas and oil industry. However, their use is today restricted and controlled due to their toxicity, environmental harm, and growing concern about the preservation of ecosystems. This has necessitated the present trend of searching for and developing green inhibitors that are environmentally benign, non-toxic, biodegradable, and low in cost. Corrosion inhibitor develops a shielding layer on the metal surface. Corrosion is avoided by a thin coating that has been adsorbed on the metal surface, which keeps the metal isolated from its surroundings. Several researchers have reported on the success of green inhibitors for steel corrosion protection, particularly in acidic environments. However, the use of green inhibitors still leaves several questions about inhibitor formulation, content, and adsorption mechanisms to be answered. Therefore, based on provided experimental results and an explanation of their inhibitory action, the use of green inhibitors (especially organic inhibitors) for the prevention of pipeline steel corrosion in various grades is studied in this review. Both the identified drawback and the projected future trend have also been highlighted. Corrosion ; Petrochemical ; Corrosion inhibitor ; Pipeline transport ; Sustainability ; Environmental science ; Materials science ; Waste management ; Metallurgy ; Engineering ; Environmental engineering Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Yueci Wu | Lu-Lu Sun | Hai‐Hao Han | Xiao‐Peng He | Weiguo Cao | Tony D. James
Source: Chemical Science (article, 2023-12-14)
Field: Materials Science — Materials Chemistry

Selective FRET nano probe based on carbon dots and naphthalimide–isatin for the ratiometric detection of peroxynitrite in drug-induced liver injury Drug-induced liver injury (DILI) is the most common cause for acute liver failure in the USA and Europe. However, most of DILI cases can recover or be prevented if treatment by the offending drug is discontinued. Recent research indicates that peroxynitrite (ONOO<sup>-</sup>) can be a potential indicator to diagnose DILI at an early stage. Therefore, the establishment of an assay to detect and track ONOO<sup>-</sup> in DILI cases is urgently needed. Here, a FRET-based ratiometric nano fluorescent probe CD-N-I was developed to detect ONOO<sup>-</sup> with high selectivity and excellent sensitivity. This probe consists of carbon dots and a naphthalimide-isatin peroxynitrite sensing system assembled based on electrostatic interactions. Using CD-N-I we were able to detect exogenous ONOO<sup>-</sup> in live cells and endogenous ONOO<sup>-</sup> in APAP-induced liver injury of HepG2 cells. Peroxynitrite ; Isatin ; Chemistry ; Förster resonance energy transfer ; Endogeny ; Drug ; Liver injury ; Biophysics ; Nanotechnology ; Fluorescence ; Pharmacology ; Biochemistry ; Medicine ; Materials science ; Organic chemistry ; Biology Carbon and Quantum Dots Applications ; Molecular Sensors and Ion Detection ; Advanced biosensing and bioanalysis techniques
Authors: He Huang | Yanhong Lv | Xiangyu Jin | Hebing Wang | Can Wu | Yiwu Pan | Xiaojie Yan | Changqing Hong | Wenbo Han | Xinghong Zhang
Source: Chemical Engineering Journal (article, 2023-06-27)
Field: Chemistry — Spectroscopy

Bifunctional silicone triggered long-range crosslinking phenolic aerogels with flexibility and thermal insulation for thermal regulation Materials science ; Aerogel ; Composite material ; Thermal insulation ; Silicone rubber ; Thermal conductivity ; Silicone ; Shrinkage ; Thermal ; Syneresis ; Chemistry ; Layer (electronics) Aerogels and thermal insulation ; Surface Modification and Superhydrophobicity ; Advanced Sensor and Energy Harvesting Materials
Authors: Yi Ren | Qi He | Tongyi Xu | Weiguan Zhang | Zhengchun Peng | Bo Meng
Source: Biosensors (review, 2023-04-22)
Field: Materials Science — Materials Chemistry

Recent Progress in MXene Hydrogel for Wearable Electronics Recently, hydrogels have attracted great attention because of their unique properties, including stretchability, self-adhesion, transparency, and biocompatibility. They can transmit electrical signals for potential applications in flexible electronics, human-machine interfaces, sensors, actuators, et al. MXene, a newly emerged two-dimensional (2D) nanomaterial, is an ideal candidate for wearable sensors, benefitting from its surface's negatively charged hydrophilic nature, biocompatibility, high specific surface area, facile functionalization, and high metallic conductivity. However, stability has been a limiting factor for MXene-based applications, and fabricating MXene into hydrogels has been proven to significantly improve their stability. The unique and complex gel structure and gelation mechanism of MXene hydrogels require intensive research and engineering at nanoscale. Although the application of MXene-based composites in sensors has been widely studied, the preparation methods and applications of MXene-based hydrogels in wearable electronics is relatively rare. Thus, in order to facilitate the effective evolution of MXene hydrogel sensors, the design strategies, preparation methods, and applications of MXene hydrogels for flexible and wearable electronics are comprehensively discussed and summarized in this work. Self-healing hydrogels ; Biocompatibility ; Nanotechnology ; Materials science ; Wearable computer ; Electronics ; Wearable technology ; Nanomaterials ; Stretchable electronics ; Flexible electronics ; Computer science ; Electrical engineering ; Embedded system ; Engineering MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Advanced Memory and Neural Computing
Authors: Reza Peymanfar | Parisa Mousivand | Ali Mirkhan
Source: Energy Technology (article, 2023-11-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fabrication of ZnS/g‐C<sub>3</sub>N<sub>4</sub>/Gypsum Plaster Nanocomposite Toward Refining Electromagnetic Pollution and Saving Energy Global concerns have been excited by burgeoning electromagnetic pollution and climate change. Paying attention to building materials is one of the best ways to refine electromagnetic pollution and save energy. Herein, a practical nanocomposite has been introduced that not only absorbs microwaves, but also plays a significant role in energy‐saving. Interestingly, the approach related to the selection of a simple experimental procedure, cost‐effective substrates, and building matrix develops the practical applications of the eventual product. Initially, graphite‐like carbon nitride (g‐C 3 N 4 ) nanosheets are tailored using a conventional sintering route, and then the prepared nanosheets are ornamented by zinc sulfide (ZnS) nanoparticles through a facile hydrothermal scenario. Remarkably, the microwave and optical features of the tailored ZnS/g‐C 3 N 4 nanocomposite are modulated by regulating the mass fraction of ZnS into 2D structures. Interestingly, a novel defecting agent is used to boost the dielectric characteristics of g‐C 3 N 4 through an innovative complementary hydrothermal and combustion scenario. Eventually, the architected structures are blended with gypsum plaster to evaluate energy‐saving and microwave‐absorbing performance. The nanocomposites fabricated by ZnS/defected g‐C 3 N 4 /gypsum plaster as building materials have significant microwave‐absorbing and infrared reflection capacity. The presented research opens a new vista for simultaneous development of advanced functional materials for energy‐saving and microwave absorption. Nanocomposite ; Materials science ; Microwave ; Reflection loss ; Nanotechnology ; Graphite ; Environmental pollution ; Gypsum ; Hydrothermal circulation ; Chemical engineering ; Metallurgy ; Composite material ; Environmental science ; Computer science ; Composite number Electromagnetic wave absorption materials ; Metamaterials and Metasurfaces Applications
Authors: Florian Knoop | Thomas A. R. Purcell | Matthias Scheffler | Christian Carbogno
Source: Physical Review Letters (article, 2023-06-07)
Field: Materials Science — Materials Chemistry

Anharmonicity in Thermal Insulators: An Analysis from First Principles The anharmonicity of atomic motion limits the thermal conductivity in crystalline solids. However, a microscopic understanding of the mechanisms active in strong thermal insulators is lacking. In this Letter, we classify 465 experimentally known materials with respect to their anharmonicity and perform fully anharmonic ab initio Green-Kubo calculations for 58 of them, finding 28 thermal insulators with κ<10 W/mK including 6 with ultralow κ≲1 W/mK. Our analysis reveals that the underlying strong anharmonic dynamics is driven by the exploration of metastable intrinsic defect geometries. This is at variance with the frequently applied perturbative approach, in which the dynamics is assumed to evolve around a single stable geometry. Anharmonicity ; Metastability ; Thermal ; Ab initio ; Thermal conductivity ; Physics ; Condensed matter physics ; Materials science ; Quantum mechanics ; Thermodynamics Thermal Expansion and Ionic Conductivity ; Thermal properties of materials ; Advanced Thermoelectric Materials and Devices
Authors: Sungwon Cho | Junichi Usuba | Subhayan Chakraborty | Xiang Li | Grace G. D. Han
Source: Chem (article, 2023-07-11)
Field: Materials Science — Materials Chemistry

Solid-state photon energy storage via reversible [2+2] cycloaddition of donor-acceptor styrylpyrylium system Cycloaddition ; Solid-state ; Acceptor ; Two-photon excitation microscopy ; Photochemistry ; Photon ; State (computer science) ; Chemistry ; Materials science ; Computer science ; Organic chemistry ; Physics ; Physical chemistry ; Optics ; Catalysis ; Fluorescence Photochromic and Fluorescence Chemistry ; Porphyrin and Phthalocyanine Chemistry ; Organic Chemistry Cycloaddition Reactions