jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yunzhe Jiang | Yidong Liu | Sylvain Grosjean | Volodymyr Bon | Patrick Hodapp | Anemar Bruno Kanj | Stefan Kaskel | Stefan Bräse | Christof Wöll | Lars Heinke
Source: Angewandte Chemie International Edition (article, 2023-02-21)
Field: Materials Science — Materials Chemistry

Substrate‐Bound Diarylethene‐Based Anisotropic Metal–Organic Framework Films as Photoactuators with a Directed Response Molecular machines and responsive materials open a plethora of new opportunities in nanotechnology. We present an oriented crystalline array of diarylethene (DAE)-based photoactuators, arranged in a way to yield an anisotropic response. The DAE units are assembled, together with a secondary linker, into a monolithic surface-mounted metal-organic framework (SURMOF) film. By Infrared (IR) and UV/Vis spectroscopy as well as by synchrotron X-ray diffraction, we show that the light-induced extension changes of the molecular DAE linkers multiply to yield mesoscopic and anisotropic length changes. Due to the special architecture and substrate-bonding of the SURMOF, these length changes are transferred to the macroscopic scale, leading to the bending of a cantilever and performing work. This research shows the potential of assembling light-powered molecules into SURMOFs to yield photoactuators with a directed response, presenting a path to advanced actuators. Diarylethene ; Substrate (aquarium) ; Materials science ; Metal ; Anisotropy ; Nanotechnology ; Optoelectronics ; Optics ; Photochromism ; Metallurgy ; Geology ; Physics Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Supramolecular Self-Assembly in Materials
Authors: Ahmed K. Saleh | Ahmed Salama | Ahmed S. Badawy | Mohamed A. Diab | Hamada El‐Gendi
Source: Cellulose (article, 2023-10-31)
Field: Materials Science — Biomaterials

Paper sludge saccharification for batch and fed-batch production of bacterial cellulose decorated with magnetite for dye decolorization by experimental design Abstract Cellulosic wastes represent a great environmental challenge, with potential conversion to product-added value through microbial fermentation. Currently, bacterial cellulose (BC) is considered a promising natural polymer for multiple applications. However, the high production cost challenges its wide application. Hence, the current study evaluated the applicability of paper sludge as a cost-effective medium for both cellulases and BC production. The local isolate Streptomyces rochei revealed the highest cellulase production titer (about 3 U/mL) at optimized conditions. For BC production, batch and fed-batch fermentation strategies were evaluated using enzymatically hydrolyzed paper sludge. The results asserted the advantage of fed-batch fermentation for advanced BC production (3.10 g/L) over batch fermentation (1.06 g/L) under the same cultivation conditions. The developed BC membranes were characterized through different instrumental analyses, which revealed an increase in fiber diameters and crystallinity under fed-batch fermentation. Furthermore, BC/magnetite (BC/Fe 3 O 4 ) nanocomposite was developed by an in-situ approach. The newly developed composite was evaluated for dye removal applications, using methyl orange (MO) as a model. The dye removal conditions were optimized through Box Behnken design (BBD), which indicated maximal MO removal (83.5%) at pH 3.0 and BC/Fe 3 O 4 concentration of 0.1 mg/dL after 60 min. Therefore, the current study asserts the good applicability of enzymatically hydrolyzed paper sludge as a medium for cost-effective BC production and the high capacity of BC/magnetite nanocomposite for MO decolorization. The study paves the way for the cost-effective implementation of BC/magnetite nanocomposite for dye removal. Graphical Abstract Cellulase ; Fermentation ; Cellulosic ethanol ; Pulp and paper industry ; Bacterial cellulose ; Hydrolysis ; Cellulose ; Magnetite ; Chemistry ; Materials science ; Food science ; Organic chemistry Advanced Cellulose Research Studies ; Biofuel production and bioconversion ; Enzyme-mediated dye degradation
Authors: Maxime Sueur | Julien Maillard | Oscar Lacroix‐Andrivet | Christopher P. Rüger | Pierre Giusti | Hélène Lavanant | Carlos Afonso
Source: Journal of the American Society for Mass Spectrometry (article, 2023-02-22)
Field: Chemistry — Spectroscopy

PyC2MC: An Open-Source Software Solution for Visualization and Treatment of High-Resolution Mass Spectrometry Data Complex molecular mixtures are encountered in almost all research disciplines, such as biomedical 'omics, petroleomics, and environmental sciences. State-of-the-art characterization of sample materials related to these fields, deploying high-end instrumentation, allows for gathering large quantities of molecular composition data. One established technological platform is ultrahigh-resolution mass spectrometry, e.g., Fourier-transform mass spectrometry (FT-MS). However, the huge amounts of data acquired in FT-MS often result in tedious data treatment and visualization. FT-MS analysis of complex matrices can easily lead to single mass spectra with more than 10,000 attributed unique molecular formulas. Sophisticated software solutions to conduct these treatment and visualization attempts from commercial and noncommercial origins exist. However, existing applications have distinct drawbacks, such as focusing on only one type of graphic representation, being unable to handle large data sets, or not being publicly available. In this respect, we developed a software, within the international complex matrices molecular characterization joint lab (IC2MC), named "python tools for complex matrices molecular characterization" (PyC2MC). This piece of software will be open-source and free to use. PyC2MC is written under python 3.9.7 and relies on well-known libraries such as pandas, NumPy, or SciPy. It is provided with a graphical user interface developed under PyQt5. The two options for execution, (1) a user-friendly route with a prepacked executable file or (2) running the main python script through a Python interpreter, ensure a high applicability but also an open characteristic for further development by the community. Both are available on the GitHub platform (https://github.com/iC2MC/PyC2MC_viewer). Python (programming language) ; Visualization ; Software ; Computer science ; Executable ; Graphical user interface ; Mass spectrometry ; Computational science ; Chemistry ; Data mining ; Programming language ; Chromatography Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Metabolomics and Mass Spectrometry Studies
Authors: J.‐C. Cortés | A. Navarro‐Quiles | Francisco José Santonja Gómez | Sorina Madalina Sferle
Source: Chemometrics and Intelligent Laboratory Systems (article, 2023-07-03)
Field: Chemistry — Electrochemistry

Statistical analysis of randomized pseudo-first/second order kinetic models. Application to study the adsorption on cadmium ions onto tree fern Adsorption kinetics are commonly modeled using pseudo-first order (PFO) and pseudo-second order (PSO) rate laws. Both models are formulated via differential equations whose coefficients are commonly treated as deterministic quantities, which are calculated from experimental data using regression techniques. In this paper, we propose a full randomization of both models by assuming that all the parameters of the PFO and PSO models are random variables with arbitrary densities. Then, we probabilistically solve both models by determining semi-explicit expressions of the first probability density functions of the corresponding solution stochastic processes, as well as the densities of the time until a fixed adsorbed amount of reactant has been reached for each model too. The analysis is conducted under very general assumptions and is based on extensive application of the so-called Random Variable Transformation (RVT) technique. Finally, we apply all the aforementioned theoretical findings to model the adsorption of cadmium ions onto tree fern, using real data. We compare the results obtained by the randomized PFO and PSO models, using a Bayesian and a randomized version of the least mean square method to assign reasonable densities to model parameters. After comparing the results, the PSO model is selected, and, we then show how the RVT technique can be applied to obtain further key information, such as the second probability density function, of the solution and the covariance function. Mathematics ; Applied mathematics ; Probability density function ; Random variable ; Tree (set theory) ; Function (biology) ; Statistics ; Mathematical analysis Electrochemical Analysis and Applications ; Electrostatics and Colloid Interactions ; Diffusion and Search Dynamics
Authors: Jingjing Huang | An Staes | Francis Impens | Vadim Demichev | Frank Van Breusegem | Kris Gevaert | Patrick J. Willems
Source: Redox Biology (article, 2023-09-27)
Field: Chemistry — Spectroscopy

CysQuant: Simultaneous quantification of cysteine oxidation and protein abundance using data dependent or independent acquisition mass spectrometry Protein cysteinyl thiols are susceptible to reduction-oxidation reactions that can influence protein function. Accurate quantification of cysteine oxidation is therefore crucial for decoding protein redox regulation. Here, we present CysQuant, a novel approach for simultaneous quantification of cysteine oxidation degrees and protein abundancies. CysQuant involves light/heavy iodoacetamide isotopologues for differential labeling of reduced and reversibly oxidized cysteines analyzed by data-dependent acquisition (DDA) or data-independent acquisition mass spectrometry (DIA-MS). Using plexDIA with in silico predicted spectral libraries, we quantified an average of 18% cysteine oxidation in Arabidopsis thaliana by DIA-MS, including a subset of highly oxidized cysteines forming disulfide bridges in AlphaFold2 predicted structures. Applying CysQuant to Arabidopsis seedlings exposed to excessive light, we successfully quantified the well-established increased reduction of Calvin-Benson cycle enzymes and discovered yet uncharacterized redox-sensitive disulfides in chloroplastic enzymes. Overall, CysQuant is a highly versatile tool for assessing the cysteine modification status that can be widely applied across various mass spectrometry platforms and organisms. Cysteine ; Iodoacetamide ; Chemistry ; Mass spectrometry ; Redox ; Proteomics ; Arabidopsis ; Biochemistry ; Enzyme ; Tandem mass tag ; Quantitative proteomics ; Chromatography ; Organic chemistry ; Mutant Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Redox biology and oxidative stress
Authors: Jie Cui | Xiao Yu | Yihong Shen | Binbin Sun | Wanxin Guo | Mingyue Liu | Yujie Chen | Li Wang | Xingping Zhou | Muhammad Shafiq | Xiumei Mo
Source: Nanomaterials (review, 2023-01-02)
Field: Materials Science — Biomaterials

Electrospinning Inorganic Nanomaterials to Fabricate Bionanocomposites for Soft and Hard Tissue Repair Tissue engineering (TE) has attracted the widespread attention of the research community as a method of producing patient-specific tissue constructs for the repair and replacement of injured tissues. To date, different types of scaffold materials have been developed for various tissues and organs. The choice of scaffold material should take into consideration whether the mechanical properties, biodegradability, biocompatibility, and bioresorbability meet the physiological properties of the tissues. Owing to their broad range of physico-chemical properties, inorganic materials can induce a series of biological responses as scaffold fillers, which render them a good alternative to scaffold materials for tissue engineering (TE). While it is of worth to further explore mechanistic insight into the use of inorganic nanomaterials for tissue repair, in this review, we mainly focused on the utilization forms and strategies for fabricating electrospun membranes containing inorganic components based on electrospinning technology. A particular emphasis has been placed on the biological advantages of incorporating inorganic materials along with organic materials as scaffold constituents for tissue repair. As well as widely exploited natural and synthetic polymers, inorganic nanomaterials offer an enticing platform to further modulate the properties of composite scaffolds, which may help further broaden the application prospect of scaffolds for TE. Scaffold ; Electrospinning ; Biocompatibility ; Nanomaterials ; Materials science ; Nanotechnology ; Tissue engineering ; Tissue repair ; Polymer ; Hard tissue ; Biomedical engineering ; Composite material ; Engineering Electrospun Nanofibers in Biomedical Applications ; Bone Tissue Engineering Materials ; Tissue Engineering and Regenerative Medicine
Authors: Bailey L. Bowser | Renã A. S. Robinson
Source: Annual Review of Analytical Chemistry (review, 2023-02-28)
Field: Chemistry — Spectroscopy

Enhanced Multiplexing Technology for Proteomics The identification of thousands of proteins and their relative levels of expression has furthered understanding of biological processes and disease and stimulated new systems biology hypotheses. Quantitative proteomics workflows that rely on analytical assays such as mass spectrometry have facilitated high-throughput measurements of proteins partially due to multiplexing. Multiplexing allows proteome differences across multiple samples to be measured simultaneously, resulting in more accurate quantitation, increased statistical robustness, reduced analysis times, and lower experimental costs. The number of samples that can be multiplexed has evolved from as few as two to more than 50, with studies involving more than 10 samples being denoted as enhanced multiplexing or hyperplexing. In this review, we give an update on emerging multiplexing proteomics techniques and highlight advantages and limitations for enhanced multiplexing strategies. Multiplexing ; Proteomics ; Proteome ; Computational biology ; Quantitative proteomics ; Workflow ; Computer science ; Robustness (evolution) ; Identification (biology) ; Tandem mass tag ; Biology ; Bioinformatics ; Genetics ; Telecommunications ; Gene Advanced Proteomics Techniques and Applications ; Advanced Biosensing Techniques and Applications ; Biosensors and Analytical Detection
Authors: Xin Chang | Mike Pivnenko | Pawan Shrestha | Weijie Wu | Wenhan Zhang | Daping Chu
Source: Optics Express (article, 2023-01-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrically tuned active metasurface towards metasurface-integrated liquid crystal on silicon (meta-LCoS) devices Active metasurfaces add a new dimension to static metasurfaces by introducing tunability, and this has received enormous attention from industry. Although various mechanisms have been proposed over the past few years in literature, solutions with good practicality are limited. Liquid crystal (LC)-based active metasurface is one of the most promising approaches due to the well-established LC industry. In this paper, an electrically tunable active metasurface was proposed and experimentally demonstrated using photoaligned nematic LC. The good quality of the LC photoalignment on the metasurface was demonstrated. Tunable transmission was obtained for telecommunication C band and the modulation depth in transmission amplitude of 94% was realized for 1530 nm. Sub-millisecond response time was achieved at operating a temperature of 60°C. The progress made here presents the potential of LC-based active metasurfaces for fast-switching photonic devices at optical communication wavelengths. More importantly, this work lays the foundations for the next-generation liquid crystal on silicon (LCoS) devices that are integrated with metasurfaces (meta-LCoS). Liquid crystal on silicon ; Liquid crystal ; Materials science ; Optoelectronics ; Millisecond ; Optics ; Modulation (music) ; Metamaterial ; Transmission (telecommunications) ; Liquid-crystal display ; Photonics ; Silicon ; Computer science ; Telecommunications ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Photonic Crystals and Applications
Authors: L. Natrayan | Gorti Janardhan | Prabhu Paramasivam | Seshathiri Dhanasekaran
Source: Frontiers in Materials (article, 2023-11-24)
Field: Materials Science — Polymers and Plastics

Enhancing mechanical performance of TiO2 filler with Kevlar/epoxy-based hybrid composites in a cryogenic environment: a statistical optimization study using RSM and ANN methods This research aims to investigate the mechanical performance of the different weight proportions of nano-TiO 2 combined with Kevlar fiber-based hybrid composites under cryogenic conditions. The following parameters were thus considered: (i) Kevlar fiber mat type (100 and 200 gsm); (ii) weight proportions of TiO 2 nanofiller (2 and 6 wt%); and (iii) cryogenic processing time (10–30 min at −196°C). The composites were fabricated through compression molding techniques. After fabrication, the mechanical characteristics of the prepared nanocomposites—such as tensile, bending, and impact properties—were evaluated. The optimal mechanical strength of nanofiller-based composites was analyzed using response surface methodology (RSM) and artificial neural networks (ANNs). Compositions, such as four weight percentages of nano-TiO 2 filler, 200 gsm of the Kevlar fiber mat, and 20 min of cryogenic treatment, were shown to produce the maximum mechanical strength (65.47 MPa of tensile, 97.34 MPa of flexural, and 52.82 J/m 2 of impact). This is because residual strains are produced at low temperatures (cryogenic treatment) due to unstable matrices and fiber contraction. This interfacial stress helps maintain a relationship between the reinforcement and resin and improves adhesion, leading to improved results. Based on statistical evaluation, the ratio of correlation ( R 2 ), mean square deviation, and average error function of the experimental and validation data sets of the experimental models were analyzed. The ANN displays 0.9864 values for impact, 0.9842 for flexural, and 0.9764 for tensile. ANN and RSM models were used to forecast the mechanical efficiency of the suggested nanocomposites with up to 95% reliability. Materials science ; Composite material ; Ultimate tensile strength ; Response surface methodology ; Kevlar ; Flexural strength ; Epoxy ; Fiber ; Flexural modulus ; Compression molding Natural Fiber Reinforced Composites ; Tribology and Wear Analysis ; Mechanical Behavior of Composites
Authors: Bima Nugraha Sanusi | Mathias Zambach | Cathrine Frandsen | Marco Beleggia | Anders M. Jørgensen | Ziwei Ouyang
Source: IEEE Transactions on Power Electronics (article, 2023-02-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Investigation and Modeling of DC Bias Impact on Core Losses at High Frequency This article aims to study the core losses behavior at high frequency (MHz range) with superimposed dc bias in ferrite. Inductive compensation method is employed in the measurement circuit to reduce sensitivity to phase errors. An addition to the circuit is proposed in this work to make easier dc bias generation. Furthermore, a detailed measurement accuracy consideration is also discussed. The tested MnZn ferrite has a nominal relative permeability of 1500 and 800, which was tested at frequency from 500 kHz to 3 MHz. The measurement results are explained thoroughly with three controlling parameters: excitation frequency, peak ac flux density, and dc bias. There are several important findings. First, a higher dc bias creates higher losses at the same frequency and ac flux density. Second, at the same dc bias and ac flux density, higher frequency generates a lower relative losses increase. This second point has not been seen in the previous literature and is elaborated more in Section <xref ref-type="sec" rid="sec3b" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">III-B</xref> . Third, the measurement result shows how dc bias increases the hysteresis loop area and coercivity. The first and third findings confirm the existing literature findings. As a final step, an improved Steinmetz Premagnetization Graph and artificial neural network are used to create core loss prediction model. The measurement data and the built model can be accessed online for use by other magnetics designer. DC bias ; Ferrite core ; Relative permeability ; Biasing ; Ferrite (magnet) ; Materials science ; Electrical engineering ; Physics ; Electronic engineering ; Control theory (sociology) ; Computer science ; Voltage ; Engineering ; Electromagnetic coil Magnetic Properties and Applications ; Magnetic properties of thin films ; Silicon Carbide Semiconductor Technologies
Authors: Andrew Cashmore | Russell Miller | Hikaru G. Jolliffe | Cameron J. Brown | Mei Lee | Mark Haw | Ján Šefčı́k
Source: Crystal Growth & Design (article, 2023-06-20)
Field: Materials Science — Materials Chemistry

Rapid Assessment of Crystal Nucleation and Growth Kinetics: Comparison of Seeded and Unseeded Experiments In this work, we outlined an experimental workflow enabling the rapid assessment of primary and secondary nucleation and crystal growth kinetics. We used small-scale experiments in agitated vials with in situ imaging for crystal counting and sizing to quantify nucleation and growth kinetics of α-glycine in aqueous solutions as a function of supersaturation at isothermal conditions. Seeded experiments were required to assess crystallization kinetics when primary nucleation is too slow, especially at lower supersaturations often encountered in continuous crystallization processes. At higher supersaturations, we compared results from seeded and unseeded experiments and carefully analyzed interdependencies of primary and secondary nucleation and growth kinetics. This approach allows for the rapid estimation of absolute values of primary and secondary nucleation and growth rates without relying on any specific assumptions about functional forms of corresponding rate expressions used for estimation approaches based on fitting population balance models. Quantitative relationships between nucleation and growth rates at given conditions provide useful insights into crystallization behavior and can be explored to rationally manipulate crystallization conditions for achieving desirable outcomes in batch or continuous crystallization processes. Nucleation ; Supersaturation ; Crystallization ; Crystal growth ; Kinetics ; Seeding ; Isothermal process ; Chemistry ; Thermodynamics ; Crystal (programming language) ; Materials science ; Crystallography ; Computer science ; Physics Crystallization and Solubility Studies ; Enzyme Structure and Function