jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yuhan Geng | Tie Zhang | Shengnan Wu | Sailing He
Source: Photonics (article, 2024-03-26)
Field: Chemistry — Spectroscopy

In Situ All-Fiber Remote Gas Sensing Strategy Based on Anti-Resonant Hollow-Core Fiber and Middle-Hole Eccentric-Core Fiber Laser absorption spectroscopy for gas sensing basically employs an air pump located at the gas cell probe to draw in ambient gases, and the on-site gas sample is subsequently delivered for laboratory non-real-time analysis. In this study, an in situ all-fiber remote gas sensing strategy is proposed. The anti-resonant hollow-core fiber (AR-HCF) is used as the sensing fiber, and a 20 m middle-hole eccentric-core fiber (MH-ECF) is used as the conducting fiber. The remote ambient gases can be inhaled into the AR-HCF as a result of the negative pressure transmitted through the MH-ECF when pumping gas at the interface of the MH-ECF. Since the real-time monitoring of greenhouse gas emissions in industrial processes holds immense significance in addressing global climate change, the detection of CO2 is achieved with the TDLAS-WMS method, and the gas sensing performance of an all-fiber remote gas sensing structure (RGS) is experimentally validated. The response time t90 under the pumping condition is about 456 s, which is about 30 times faster than that of free diffusion. Allan deviation results for more than one hour of continuous monitoring indicate that the lowest detection limit for the all-fiber RGS is 0.0373% when the integration time is 184 s. The all-fiber remote gas sensing strategy also possesses the benefits of being applicable to multiplex, hazardous gas environment passive monitoring. Fiber ; Materials science ; Core (optical fiber) ; Environmental science ; Optics ; Optoelectronics ; Physics ; Composite material Spectroscopy and Laser Applications ; Photonic Crystal and Fiber Optics ; Advanced Fiber Optic Sensors
Authors: S. Das Sarma | Yi-Ting Tu
Source: Physical review. B./Physical review. B (preprint, 2024-06-10)
Field: Materials Science — Surfaces, Coatings and Films

Role of many-phonon modes on the high-temperature linear-in-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>T</mml:mi></mml:math> electronic resistivity We theoretically consider the possibility that phonons may be playing a role in the observed linear-in-$T$ resistivity in cuprates by focusing on the obvious question: How can phonon scattering be consistent with a linear-in-$T$ resistivity with a constant slope given that cuprates have many phonon modes with different energies and electron-phonon couplings (e.g., 21 phonon modes for LSCO)? We show using an arbitrarily large number of independent phonon modes that, within a model Boltzmann transport theory, the emergent high-$T$ linear-in-$T$ resistivity manifests an approximately constant slope independent of the number of phonon modes except in some fine-tuned narrow temperature regimes. We also comment on the quantitative magnitude of the linear-in-$T$ resistivity in cuprates pointing out the constraints on the effective electron-phonon coupling necessary to produce the observed resistivity. Phonon ; Condensed matter physics ; Electrical resistivity and conductivity ; Cuprate ; Boltzmann constant ; Physics ; Scattering ; Constant (computer programming) ; Boltzmann equation ; Quantum mechanics ; Superconductivity Electron and X-Ray Spectroscopy Techniques ; Surface and Thin Film Phenomena ; Magnetic Properties and Applications
Authors: Joao Salgado Cabaco | Maciej Oskar Liedke | Javier Pablo‐Navarro | Fabian Ganss | César Magén | M. R. Ibarra | Ulrich Kentsch | Maik Butterling | A. Wagner | Jürgen Lindner | J. Faßbender | Christoph Leyens | R. Boucher | Rantej Bali
Source: Applied Surface Science (article, 2024-09-06)
Field: Materials Science — Materials Chemistry

Modifying vacancy defects during systematic disordering of the Cr2AlC nano-lamellar system • Cr₂AlC is disordered by ion irradiation; defects are probed with positron techniques. • Large defects (9–15 vacancies) transform into Al and Al-Cr di-vac. post-irradiation. • Transformation scales with atomic displacements, independent of ion species. • Post-irradiation, defect concentration and size are reduced. The layered structure of MAX phases is associated with a number of functional properties and is the subject of extensive research. While the unit-cell layers of these structures have been well studied, much less is known about the distribution and manipulation of point defects within them. Here, we selected the prototype Cr 2 AlC system and, using variable energy positron beams, observed Doppler broadening and positron annihilation lifetimes to track the evolution of defects caused by the penetration of energetic transition metal ions (Co + and Mn + ) and noble gas ions (Ar + and Ne + ). In all cases an overall reduction of the open-volume defect concentration is observed post-irradiation. Atomic displacements induced by the penetrating ions drastically modify the defect distribution: the concentration of agglomerates of 9–15 vacancies (corresponding to positron lifetimes of 335–450 ps) in the precursor [Cr 2 C/Al]n layers is suppressed, whereas Al mono- and Al-Cr di-vacancy (lifetimes 217–231 ps) concentrations are enhanced. This breakdown of large defects into point defects scales with atomic displacements and is largely independent of the penetrating ion species, providing insights into the manipulation of point defects in nano-layered systems. Vacancy defect ; Lamellar structure ; Nano- ; Materials science ; Crystallography ; Nanotechnology ; Chemistry ; Composite material MXene and MAX Phase Materials ; Intermetallics and Advanced Alloy Properties ; Advanced materials and composites
Authors: Young Jin Jeong | Dae-Hun Jeong | Hwiin Ju | In Hyeok Choi | Chang Jae Roh | Jin Hong Lee | Chan‐Ho Yang | Jong Seok Lee
Source: Scientific Reports (article, 2024-10-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Individual domain characteristics determined by second-harmonic generation diffractometer for multi-domain multiferroics We investigated the multi-domain states of a multiferroic La-doped BiFeO<sub>3</sub> (BLFO) thin film by examining diffraction patterns in optical second-harmonic generation (SHG) measurement. By directing a laser onto the domain wall within the domain-patterned sample, we observed clear diffraction signatures of SHG waves generated from two ferroelectric domains. We explained the experimental results of the diffraction patterns, including the intensity distribution and the polarization characteristics, using Fresnel propagation of SHG waves. From this, we could determine the amplitude and phase of the SHG waves generated from each domain, and figure out not only the polarization direction of each ferroelectric domain but also the phase related to the complex-valued second-order susceptibility tensor. Consequently, we could present SHG diffractometry as an effective measurement method to reveal the phase details of electric polarization of the multi-domain states of ferroic materials. Multiferroics ; Diffractometer ; Domain (mathematical analysis) ; Computer science ; Physics ; Materials science ; Crystallography ; Chemistry ; Mathematics ; Optoelectronics ; Ferroelectricity ; Mathematical analysis Multiferroics and related materials ; Acoustic Wave Resonator Technologies ; Ferroelectric and Piezoelectric Materials
Authors: Tomasz Kuciel | Piotr Wieczorek | Paulina Rajchel-Mieldzioć | Magdalena Wytrwał-Sarna | Szczepan Zapotoczny | Michał Szuwarzyński
Source: Journal of Colloid and Interface Science (article, 2024-05-07)
Field: Chemistry — Organic Chemistry

Surface-grafted macromolecular nanowires with pedant fluorescein chromophores by dense non-aggregated nanoarchitectonics as versatile photoactive platforms In this paper, we present a facile method of synthesis and modification of poly(glycidyl methacrylate) brushes with 6-aminofluorescein (6AF) molecules. Polymer brushes were obtained using surface-grafted atom transfer radical polymerization (SI-ATRP) and functionalized in the presence of triethylamine (TEA) acting both as a reaction catalyst and an agent preventing aggregation of chromophores. Atomic force microscopy (AFM), FTIR, X-ray photoelectron spectroscopy (XPS) were used to study the structure and formation of obtained photoactive platforms. UV-Vis absorption and emission spectroscopy and confocal microscopy were conducted to investigate photoactivity of chromophores within the macromolecular matrix. Owing to the simplicity of fabrication and good ordering of the chromophore in a thin nanometric layer, the proposed method may open new opportunities for obtaining light sensors, photovoltaic devices, or other light-harvesting systems. Chromophore ; Nanowire ; Nanotechnology ; Fluorescein ; Macromolecule ; Materials science ; Surface modification ; Chemistry ; Photochemistry ; Fluorescence Advanced Polymer Synthesis and Characterization ; Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry
Authors: Kyle Symonds | Udo Wali | Liam Duff | Wayne A. Snedden
Source: Plant and Cell Physiology (article, 2024-10-26)
Field: Materials Science — Biomaterials

Characterization of the Calmodulin-Like Protein Family in <i>Chara braunii</i> and their Conserved Interaction with the Calmodulin-Binding Transcription Activator Family Calcium sensor proteins play important roles by detecting changes in intracellular calcium and relaying that information onto downstream targets through protein-protein interaction. Very little is known about calcium sensors from plant species that predate land colonization and the evolution of embryophytes. Here, we examined the genome of the multicellular algae, Chara braunii, for orthologs to the evolutionarily conserved calcium sensor calmodulin (CaM) and for CaM-like (CML) proteins. We identified one CaM and eight CML isoforms that range in size from 16.4 to 21.3 kDa and are predicted to have between two to four calcium-binding (EF-hand) domains. Using recombinant protein, we tested whether CbCaM and CbCML1-CbCML7 possess biochemical properties of typical calcium sensors. CbCaM and the CbCMLs all displayed high-affinity calcium binding with estimated global KD,app values in the physiological µM range. In response to calcium binding, CbCaM and the CbCMLs exhibited varying degrees of increase in exposed hydrophobicity, suggesting that different calcium-induced conformational changes occur among isoforms. We found many examples of putative CaM targets encoded in the C. braunii genome and explored the ability of CbCaM and CbCMLs to interact in planta with a representative putative target, a C. braunii CaM-binding transcription factor (CbCAMTA1). CbCaM, CbCML2 and CbCML4 each associated with the C-terminal region of CbCAMTA1. Collectively, our data support the hypothesis that complex calcium signaling and sensing networks involving CaM and CMLs evolved early in the green lineage. Similarly, it seems likely that calcium-mediated regulation of transcription occurs in C. braunii via CAMTAs and is an ancient trait predating embryophytic emergence. Calmodulin ; Biology ; EF hand ; Calcium ; Transcription factor ; Calcium-binding protein ; Cell biology ; Calcium signaling ; Biochemistry ; Activator (genetics) ; Gene isoform ; Transcription (linguistics) ; Genome ; Gene ; Genetics ; Intracellular ; Chemistry ; Enzyme Diatoms and Algae Research ; Marine and coastal plant biology
Authors: Yu. V. Skrypnyk | В. М. Локтев
Source: Low Temperature Physics (article, 2024-06-01)
Field: Materials Science — Materials Chemistry

Band structure transformation of the avoided crossing type in impure graphene We show that the electronic spectrum in graphene, not unlike in other low-dimensional systems, can manifest a sharp impurity resonance near the Dirac point due to the presence of a single weakly coupled impurity described by the Fano model. It is demonstrated that, according to the established scenario, the electronic band structure of graphene undergoes a kind of transformation, specifically of the avoided crossing type, when the concentration of such short-range impurities increases. In this transformation process, main events unfold close to the impurity resonance energy, and, therefore, they relate to the most intriguing domain of the energy spectrum of graphene. The avoided crossing transformation develops in a threshold manner. Namely, it starts when the impurity concentration exceeds a critical value determined by the considerable spatial overlap of individual impurity states. Unlike former cases of such band structure transformations in low-dimensional systems, our findings unveil the formation of a new—impurity—Dirac point in the spectrum alongside the original shifted one, which doubles their number in the disordered system. The resulting electronic spectrum also features a single worthy of attention concentration broadening area or mobility gap of a substantially reduced width around the impurity resonance energy. Band edge smearing areas at old and newly formed Dirac points, where electronic states are also localized, are found to be negligibly narrow. Our analysis suggests that controlling the position of the Fermi level in the disordered system under study may allow observation of the re-entrant metal–insulator transition. The Fermi level entering and exiting the mobility gap causes the metal–insulator and insulator–metal transitions. Graphene ; Condensed matter physics ; Impurity ; Fermi level ; Band gap ; Physics ; Fermi energy ; Resonance (particle physics) ; Fano resonance ; Materials science ; Atomic physics ; Plasmon ; Quantum mechanics ; Electron Graphene research and applications ; Quantum and electron transport phenomena ; Topological Materials and Phenomena
Authors: Lianjin Zhang | Seoneun Jeong | Jeehee Lee | Jaewook Kim | Jung‐Seok Lee | Jihye Park | Jungwoo Hong | Jae‐Hoon Eom | Hyungjun Kim | Young Min Rhee | Haeshin Lee | Hee‐Seung Lee
Source: Small (article, 2024-07-01)
Field: Materials Science — Materials Chemistry

Red Fluorescence from Organic Microdots: Leveraging Foldamer‐Linked Azobenzene for Enhanced Stability and Intensity in Bioimaging Applications Azobenzene, while relevant, has faced constraints in biological system applications due to its suboptimal quantum yield and short-wavelength emission. This study presents a pioneering strategy for fabricating organic microdots by coupling foldamer-linked azobenzene, resulting in robust fluorescence intensity and stability, especially in aggregated states, thereby showing promise for bioimaging applications. Comprehensive experimental and computational examinations elucidate the mechanisms underpinning enhanced photostability and fluorescence efficacy. In vitro and in vivo evaluations disclose that the external layer of cis-azo-foldamer microdots performs a self-sacrificial function during photo-bleaching. Consequently, these red-fluorescent microdots demonstrate extraordinary structural and photochemical stabilities over extended periods. The conjugation of a β-peptide foldamer to the azobenzene chromophore through a glycine linker instigates a blue-shifted and amplified π<sup>*</sup>-n transition. Molecular dynamics simulations reveal that the aggregated state of cis-azo-foldamers fortifies the stability of cis isomers, thereby augmenting fluorescence efficiency. This investigation furnishes crucial insights into conceptualizing novel, biologically inspired materials, promising stable and enduring imaging applications, and carries implications for diverse arenas such as medical diagnostics, drug delivery, and sensing technologies. Foldamer ; Azobenzene ; Fluorescence ; Chromophore ; Materials science ; Linker ; Nanotechnology ; Combinatorial chemistry ; Photochemistry ; Chemistry ; Computer science ; Polymer ; Stereochemistry ; Optics ; Physics Photochromic and Fluorescence Chemistry ; Chemical Synthesis and Analysis ; Supramolecular Self-Assembly in Materials
Authors: Xiuqi Gui | Jing Huang | Li Ruan | Yanjun Wu | Xuan Guo | Ruifang Cao | Shuhan Zhou | Fengxiang Tan | Hongwen Zhu | Mushan Li | Guoqing Zhang | Hu Zhou | Lixing Zhan | Xin Liu | Shiqi Tu | Zhen Shao
Source: Genome biology (article, 2024-10-14)
Field: Chemistry — Spectroscopy

zMAP toolset: model-based analysis of large-scale proteomic data via a variance stabilizing z-transformation Isobaric labeling-based mass spectrometry (ILMS) has been widely used to quantify, on a proteome-wide scale, the relative protein abundance in different biological conditions. However, large-scale ILMS data sets typically involve multiple runs of mass spectrometry, bringing great computational difficulty to the integration of ILMS samples. We present zMAP, a toolset that makes ILMS intensities comparable across mass spectrometry runs by modeling the associated mean-variance dependence and accordingly applying a variance stabilizing z-transformation. The practical utility of zMAP is demonstrated in several case studies involving the dynamics of cell differentiation and the heterogeneity across cancer patients. Biology ; Computational biology ; Human genetics ; Scale (ratio) ; Transformation (genetics) ; Variance (accounting) ; Genetics ; Gene Advanced Proteomics Techniques and Applications ; Bioinformatics and Genomic Networks ; Genomics and Phylogenetic Studies
Authors: Chidi U. Uche | Mercy A. Okezue | Ibrahim Amidu | Stephen R. Byrn
Source: Scientia Pharmaceutica (article, 2024-12-04)
Field: Chemistry — Analytical Chemistry

Model Adequacy in Assessing the Predictive Performance of Regression Models in Pharmaceutical Product Optimization: The Bedaquiline Solid Lipid Nanoparticle Example This study aimed to assess the predictive performance of first- and second-order regression models in optimizing bedaquiline (BQ) solid lipid nanoparticle (SLN) formulations. A three-step central composite design and graphical optimization process was employed. A design of experiments method was used to evaluate the impact of BQ, Tween 80 (T80), polyethylene glycol (PEG), and lecithin on the formulations’ response variables, including Z-average (PSD), polydispersibility index (PdI), and Zeta potential (ZP). Secondly, we quantified the relationship between experimental variables using the regression model coefficients. Lastly, we predicted the responses and verified the models’ adequacies to ensure accurate representation and effective optimization. The first-order polynomial showed poor model adequacy and required further refinement due to its lack of explanatory power and significant predictors. Conversely, the second-order models provided superior fitness, sensitivity to variability, complexity, and prediction consistency. The optimized formulation achieved a desirability value of 0.9998, indicating alignment with the desired criteria. Specifically, the levels of BQ (19.4 mg), T80 (25.2 mg), PEG (39.2 mg), and lecithin (200 mg) corresponded to PdI (0.41), PSD (250.99 nm), and ZP (−25.95 mV). Maintaining a BQ concentration between 10 and 20% and T80 between 15 and 18% is vital for maximizing ZP and minimizing PdI and PSD, ensuring stable SLN formulations. This study underscores the significance of precise model selection and statistical analysis in pharmaceutical formulation optimization for enhanced drug delivery systems. Solid lipid nanoparticle ; Critical quality attributes ; Linear regression ; Regression analysis ; Central composite design ; Polyethylene glycol ; Computer science ; Materials science ; Mathematics ; Response surface methodology ; Nanoparticle ; Statistics ; Particle size ; Nanotechnology ; Chemical engineering ; Engineering Analytical Methods in Pharmaceuticals ; Computational Drug Discovery Methods ; Analytical Chemistry and Chromatography
Authors: Byungmin Sohn | Guillaume Marcaud | Yeongjae Shin | Sangjae Lee | Tyler Werner | Turgut Yilmaz | Jinming Yang | Wenzheng Wei | А. В. Федоров | E. Vescovo | Yu He | Sohrab Ismail‐Beigi | Charles Ahn | F. J. Walker
Source: Physical review. B./Physical review. B (article, 2024-04-02)
Field: Materials Science — Materials Chemistry

Observation of orbital selective charge transfer in a <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Fe</mml:mi><mml:mtext>/</mml:mtext><mml:mi>BaTi</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> interfacial two-dimensional electron gas Two-dimensional electron gas (2DEG) states at oxide interfaces between two ferroic materials have been fertile ground to realize controllable multiferroicity. Here, we investigate the 2DEG states at the interface of ferroelectric $\mathrm{BaTi}{\mathrm{O}}_{3}$ and a magnetic layer of iron using angle-resolved photoemission spectroscopy. Orbital-selective charge transfer occurs on the surprisingly robust 2DEG. Based on first-principles calculations, we show how the interfacial hybridization can give rise to the unexpected charge transfer in the magnetic 2DEG. Our study reveals a close interplay on a 2DEG between magnetic and ferroelectric interfaces, which sheds light on future design principles of multiferroic 2DEG states. Physics Electronic and Structural Properties of Oxides ; Multiferroics and related materials ; Magnetic and transport properties of perovskites and related materials
Authors: Pavol Liptai | Šimon Nagy | Bystrík Dolník | Miloš Matvija | Jana Pirošková
Source: Heliyon (article, 2024-08-01)
Field: Materials Science — Materials Chemistry

Optimization of technological processes in the manufacturability of varistors based on recycled ZnO product, with emphasis on environmental sustainability The main objective described in this paper is the optimization of technological parameters in the production of varistors based on recycled zinc oxide (ZnO). The content of this paper builds on our previous research aimed at proving that hydrometallurgically recovered ZnO material, from electric arc furnace dust, is suitable for applications in these semiconductors, an issue which has received very little attention at present. The focus of this research also corresponds to and supports the visions and strategies of environmental sustainability and the circular economy. Samples of ZnO varistors manufactured for this purpose were analyzed by scanning electron microscopy and then the electrical parameters were measured and calculated. Based on the results of the microstructural analysis and electrical properties, prerequisites for the optimal adjustment of technological parameters such as sintering temperature and sintering time were derived, which will be the starting point for further research. Varistor ; Sustainability ; Materials science ; Design for manufacturability ; Sintering ; Process engineering ; Circular economy ; Scanning electron microscope ; Engineering physics ; Mechanical engineering ; Metallurgy ; Composite material ; Engineering ; Electrical engineering ; Voltage ZnO doping and properties ; High-Temperature Coating Behaviors ; Gas Sensing Nanomaterials and Sensors