jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Pavel Khramtsov | Maria Kropaneva | Артем С. Минин | М. С. Бочкова | В. П. Тимганова | Andrey Maximov | A. Yu. Puzik | С. А. Заморина | Mikhail Rayev
Source: ChemRxiv (preprint, 2022-02-13)
Field: Materials Science — Materials Chemistry

Prussian blue nanozymes with enhanced catalytic activity: size tuning and application in ELISA-like immunoassay Prussian blue nanozymes possessing peroxidase-like activity gather significant attention as alternatives to natural enzymes in therapy, biosensing, and environmental remediation. Recently, prussian blue nanoparticles with enhanced catalytic activity prepared by reduction of FeCl3/K3[Fe(CN)6] mixture have been reported. These nanoparticles were denoted as ‘artificial peroxidase’ nanozymes. Our study provides insights into the process of synthesis of ‘artificial peroxidase’ nanozymes. We studied how the size of nanozymes and synthesis yield can be controlled via adjustment of the synthesis conditions. Based on these results, we developed a reproducible and scalable method for the preparation of ‘artificial peroxidase’ with tunable sizes allowing the obtaining of nanozymes with enhanced catalytic activity. ‘Artificial peroxidase’ nanozymes modified with gelatin shell and functionalized with affine molecules were applied as labels in colorimetric immunoassays of prostate-specific antigen and tetanus antibodies, enabling detection of these analytes in the range of clinically relevant concentrations. Protein coating provides excellent colloidal stability of nanozymes in physiological conditions and stability upon long-term storage. Prussian blue ; Chemistry ; Nanoparticle ; Catalysis ; Peroxidase ; Analyte ; Immunoassay ; Biosensor ; Nanotechnology ; Combinatorial chemistry ; Chemical engineering ; Chromatography ; Materials science ; Electrochemistry ; Electrode ; Enzyme ; Organic chemistry ; Biochemistry Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: O Sabzevari | Amir Eghbal Khajerahimi | R Kazempoor | Bahareh Nowruzi
Source: Sustainable Aquaculture and Health Management Journal (review, 2022-08-01)
Field: Materials Science — Materials Chemistry

Review Article: A review of the antimicrobial and toxic properties of nanoparticles as a new alternative in the control of aquatic diseases Review Article: A review of the antimicrobial and toxic properties of nanoparticles as a new alternative in the control of aquatic diseases Antimicrobial ; Nanotechnology ; Biology ; Toxicology ; Medicine ; Microbiology ; Materials science Nanoparticles: synthesis and applications
Authors: A. Aimon | Mark Dow | Abigail R. Hanby | Ephraim A. Okolo | Christopher M. Pask | Adam Nelson | Stephen P. Marsden
Source: Chemical Communications (article, 2022-12-12)
Field: Chemistry — Organic Chemistry

Synthesis of spirocyclic 1,2-diamines by dearomatising intramolecular diamination of phenols The stereocontrolled synthesis of complex spirotricyclic systems containing an embedded <i>syn</i>-1,2-diaminocyclohexane unit is reported, based upon a dearomatising oxidation of phenols bearing pendant ureas capable of acting as double nucleophiles. This complexity-generating transformation yields products with rich functionality suitable for application in the synthesis of potentially bioactive compounds. Phenols ; Intramolecular force ; Nucleophile ; Chemistry ; Combinatorial chemistry ; Transformation (genetics) ; Nucleophilic aromatic substitution ; Organic chemistry ; Nucleophilic substitution ; Catalysis Radical Photochemical Reactions ; Oxidative Organic Chemistry Reactions ; Asymmetric Synthesis and Catalysis
Authors: Michael Tosin Bayode | Mercy Adewumi Alabi | Olamide Joshua Babatunde | Muyideen Enitan Sadibo | Blessing Temitope Lawani | Ayomide Faith Okiti | Michael Omoniyi Elabiyi | Damilola Israel Lawrence
Source: Bulletin of the National Research Centre/Bulletin of the National Research Center (article, 2022-05-23)
Field: Chemistry — Physical and Theoretical Chemistry

Isothermal microcalorimetry (IMC) calscreener: automated peculiarities of antimicrobial therapy and metabolism depth of multidrug resistant bacteria Abstract Background The global development of innovative antimicrobial drugs and drug design techniques has been necessitated by the persistent increase of multidrug resistant infections. Regardless of advances in technology for detecting pathogenic bacteria and their resistance genes (DNA-based assays), most bacteriological studies of infections still use conventional cultural techniques and susceptibility testing as reference standards. Commonly used conventional assays such as the disc diffusion test and broth micro-dilution have been effective in defining pathogen susceptibility and determining the minimum inhibitory concentration of antimicrobial agents. However, they are still prone to error and time consuming, hence, not sufficient in the face of the urgent need for answers to sporadic worldwide disease maladies. Main body In this review, we describe a developing but promising method for gauging/measuring the amount of energy released when a cell is actively metabolizing, which may then be used to calculate the bacterial cell's growth rate. The isothermal microcalorimetry (IMC) calscreener translate heat production of cellular metabolism which is pertinent to the operation of all biological life in demonstrating a more advanced technique for drug design and discovery, especially in the area of pathogen-specific chemotherapy. Conclusion The IMC calscreener technology is sacrosanct in establishing the heat levels in microwatt to read the metabolic kinematics of biological specimens with emphasis on medically-relevant bacteria within a closed scheme. The application of this technology also looks promising in antimicrobial chemotherapy and metal recovery. Isothermal microcalorimetry ; Antimicrobial ; Multiple drug resistance ; Biology ; Bacteria ; Antimicrobial chemotherapy ; Microbiology ; Minimum inhibitory concentration ; Drug resistance ; Pathogen ; Biotechnology ; Computational biology ; Genetics thermodynamics and calorimetric analyses ; Viral gastroenteritis research and epidemiology ; Antibiotics Pharmacokinetics and Efficacy
Authors: Claudia Feberero | Cintia Virumbrales | Carlos Sedano | Lorena Renedo | Samuel Suárez-Pantiga | Roberto Sanz
Source: Molecules (article, 2022-01-14)
Field: Chemistry — Organic Chemistry

Transition Metal-Free Synthesis of Halobenzo[b]furans from O-Aryl Carbamates via o-Lithiation Reactions A straightforward and transition metal-free one-pot protocol to synthesize halobenzo[<i>b</i>]furans has been developed employing simple and easily available starting materials such as <i>O</i>-aryl carbamates and alkynylsulfones. The fine-tuning of the different steps involved was key to achieving a successful one-pot procedure. Initially, a directed <i>ortho</i>-lithiation process, which uses the carbamate as the directed metalation group, was crucial in providing access to <i>O</i>-2-alkynylaryl <i>N,N</i>-diethyl carbamates by a direct alkynylation of the <i>o</i>-lithiated carbamate, with arylsulfonylalkynes as electrophilic reagents. Cyclization of the generated <i>o</i>-alkynylaryl carbamates was successfully accomplished through a strategy involving in situ carbamate alkaline hydrolysis under conventional heating or microwave irradiation, coupled with a subsequent heterocyclization step delivering the desired benzo[<i>b</i>]furans. A wide variety of new halobenzo[<i>b</i>]furans has been synthesized and their utility has been demonstrated by their further transformation. Carbamate ; Metalation ; Electrophile ; Hydrolysis ; Microwave ; Reaction conditions Sulfur-Based Synthesis Techniques ; Coordination Chemistry and Organometallics ; Catalytic C–H Functionalization Methods
Authors: Parichehr Hassanzadeh | Fatemeh Atyabi | Rassoul Dinarvand
Source: Journal of Controlled Release (review, 2022-12-07)
Field: Materials Science — Materials Chemistry

Technical and engineering considerations for designing therapeutics and delivery systems Context (archaeology) ; Nanotechnology ; Drug delivery ; Computer science ; Biochemical engineering ; Risk analysis (engineering) ; Biopharmaceutical ; Medicine ; Engineering ; Biotechnology ; Materials science ; Biology Machine Learning in Materials Science ; 3D Printing in Biomedical Research ; Advanced biosensing and bioanalysis techniques
Authors: Yu Kitamura | Yuiga Nakamura | Kunihisa Sugimoto | Hirofumi Yoshikawa | Daisuke Tanaka
Source: Chemical Communications (article, 2022-01-01)
Field: Chemistry — Inorganic Chemistry

Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks The synthesis of lanthanide metal-organic frameworks with terephthalate (Ln-BDC-MOFs) was investigated using a data-driven approach. Visually mapping the previously reported synthetic conditions suggested the existence of unexplored search spaces for novel Ln-BDC-MOFs. By focusing on the unexplored chemical reaction space, we successfully synthesized a series of new anionic Ln-BDC-MOFs, KGF-15, which demonstrated potential as luminescent sensors for Cu<sup>2+</sup> ions. This synthetic exploration approach can significantly reduce the experimental effort required to discover new materials. Lanthanide ; Metal-organic framework ; Luminescence ; Materials science ; Ion ; Nanotechnology ; Metal ; Combinatorial chemistry ; Chemistry ; Organic chemistry ; Optoelectronics ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; Advanced Nanomaterials in Catalysis
Authors: Guojing Xu | Hao Lü | Kai Guo | Fawei Tang | Xiaoyan Song
Source: Nanomaterials (article, 2022-04-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Predictions on the Phase Constitution of SmCo7−XMx Alloys by Data Mining Based on a home-built Sm-Co-based alloys database, this work proposes a support vector machine model to study the concurrent effects of element doping and microstructure scale on the phase constitution of SmCo<sub>7</sub>-based alloys. The results indicated that the doping element's melting point and electronegativity difference with Co are the key features that affect the stability of the 1:7 <i>H</i> phase. High-throughput predictions on the phase constitution of SmCo<sub>7</sub>-based alloys with various characteristics were achieved. It was found that doping elements with electronegativity differences with Co that are smaller than 0.05 can significantly enhance 1:7 <i>H</i> phase stability in a broad range of grain sizes. When the electronegativity difference increases to 0.4, the phase stability becomes more dependent on the melting point of the doping element, the doping concentration, and the mean grain size of the alloy. The present data-driven method and the proposed rule for 1:7 <i>H</i> phase stabilization were confirmed by experiments. This work provides a quantitative strategy for composition design and tailoring grain size to achieve high stability of the 1:7 <i>H</i> phase in Sm-Co-based permanent magnets. The present method is applicable for evaluating the phase stability of a wide range of metastable alloys. Electronegativity ; Materials science ; Doping ; Phase (matter) ; Melting point ; Metastability ; Microstructure ; Alloy ; Grain size ; Thermodynamics ; Metallurgy ; Composite material ; Chemistry ; Optoelectronics ; Physics Magnetic Properties of Alloys ; Magnetic and transport properties of perovskites and related materials ; Hydrogen Storage and Materials
Authors: Collin J. Wilkinson | Cory Trivelpiece | John C. Mauro
Source: Current Opinion in Solid State and Materials Science (review, 2022-06-18)
Field: Materials Science — Ceramics and Composites

Statistical mechanical modeling of glass-forming systems: A practical review considering an example calcium silicate system Silicate glass ; Statistical mechanics ; Work (physics) ; Materials science ; Statistical model ; Calcium silicate ; Complex system ; Computer science ; Statistical physics ; Mechanical engineering ; Machine learning ; Physics ; Artificial intelligence ; Engineering Glass properties and applications ; Material Dynamics and Properties ; Cultural Heritage Materials Analysis
Authors: Hongshuai Liu | Lina Hao | Mingfang Liu | Zhirui Zhao
Source: Proceedings of the Institution of Mechanical Engineers Part C Journal of Mechanical Engineering Science (article, 2022-01-11)
Field: Materials Science — Materials Chemistry

Data-driven model-free adaptive fractional-order sliding mode control for the SMA actuator with prescribed performance In this paper, a novel data-driven model-free adaptive fractional-order sliding mode controller with prescribed performance is proposed for the shape memory alloy (SMA) actuator. Due to the strong asymmetric saturated hysteresis nonlinear characteristics of the SMA actuators, it is not easy to establish an accurate model and develop an effective controller. Therefore, we present a controller without using the model of the SMA actuators. In other words, the proposed controller depends merely on the input/output (I/O) data of the SMA actuators. To obtain the reasonable compensation for hysteresis, enhance the noise robustness of the controller, and reduce the chattering, a fractional-order sliding mode controller with memory characteristics is employed to improve the performance of the controller. In addition, the prescribed performance control (PPC) strategy is introduced in our work to guarantee the tracking errors converge to a sufficiently small boundary and the convergence rate is not less than a predetermined value which are significant and considerable in practical engineering applications of the SMA actuator. Finally, experiments are carried out, and results reveal the effectiveness and success of the proposed controller. Comparisons with the classical Proportional Integral Differential (PID), model-free adaptive control (MFAC), and model-free adaptive sliding mode control (MFAC-SMC) are also performed. Control theory (sociology) ; SMA* ; Actuator ; Robustness (evolution) ; Controller (irrigation) ; Computer science ; PID controller ; Adaptive control ; Nonlinear system ; Shape-memory alloy ; Control engineering ; Engineering ; Control (management) ; Artificial intelligence ; Physics ; Temperature control ; Algorithm Shape Memory Alloy Transformations ; Piezoelectric Actuators and Control ; Iterative Learning Control Systems
Authors: Andreas Sommer | Wolfgang Hohenauer | Tilman Barz
Source: Journal of Thermal Analysis and Calorimetry (article, 2022-04-07)
Field: Chemistry — Organic Chemistry

Data-driven de-smearing of DSC signals Abstract In heat flux differential scanning calorimetry, a pair of identical crucibles, one empty as reference and the other filled with the sample, is heated in a furnace with a prescribed rate. The (empty) reference crucible heats faster, resulting in a temperature difference that is detected by thermocouples. Slow heating of the furnace results in weak and noisy signals; higher heating rates induce strong signals but lead to smearing if applied to materials undergoing a phase transition: The recorded peak signal is shifted toward higher temperatures. To determine the peak, the onset/endset temperatures, and the phase transition enthalpy, multiple heating rates are used to find a trade-off between noise and smearing. When plotting the melting peaks over temperature and heating rate, the visual similarity to the time evolution of a probability density under drift and diffusion catches the eye. Such a density evolution can be described by the Fokker–Planck equations. In this analogon, the de-smeared signal corresponds to the initial distribution. We propose a data-driven de-smearing approach, based on an extrapolation to a (hypothetical) zero heating rate signal. This zero rate signal is low-dimensionally parameterized and its parameters together with the drift and diffusion of the Fokker–Planck equation are fitted against the calorimetric measurements. The method is successfully tested on heat capacity data of a technical-grade high-density polyethylene (HDPE) using mid-range heating rates. The data are strongly affected by smearing, and the proposed de-smearing method $${FPEX}_{0}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mrow> <mml:mi>FPEX</mml:mi> </mml:mrow> <mml:mn>0</mml:mn> </mml:msub> </mml:math> delivers reliable estimates of characteristic shape parameters of the phase transition peak effectively overcoming the problem of a deteriorating signal-to-noise ratio for heating rates approaching zero. Extrapolation ; Crucible (geodemography) ; Diffusion ; SIGNAL (programming language) ; Heat capacity ; Thermodynamics ; Differential scanning calorimetry ; High-density polyethylene ; Thermocouple ; Isothermal process ; Probability density function ; Phase (matter) ; Noise (video) ; Materials science ; Physics ; Analytical Chemistry (journal) ; Chemistry ; Polyethylene ; Mathematics ; Statistics ; Quantum mechanics Chemical Thermodynamics and Molecular Structure ; thermodynamics and calorimetric analyses ; Thermography and Photoacoustic Techniques
Authors: Jiaxin Liu | Wenbo Wu
Source: Symmetry (article, 2022-04-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dendronized Hyperbranched Polymer: A New Architecture for Second-Order Nonlinear Optics Organic/polymeric second-order nonlinear optical (NLO) materials, which rely on the poling-induced non-centrosymmetric arrangement of NLO chromophores, have played a very important role in laser technology and optical fiber communication, due to their ultra-fast response speed, excellent machining performance and low dielectric constant. However, the NLO chromophores have the large dipole moments with strong intramolecular charge transfer, which lead to the intermolecular electrostatic interactions to tend to the centrosymmetric arrangement and decrease the poling efficiency. Since the special three-dimensional spatial separation can minimize these strong intermolecular electrostatic interactions during poling process, dendrimers and hyperbranched polymers have been considered as better topology for the next generation of highly efficient NLO materials. In 2013, by the attachment of low generation dendrimers to the hyperbranched backbone, a new dendritic architecture of dendronized hyperbranched polymer (DHP) was proposed for improving the comprehensive performance of NLO materials. Recent results showed many advantages of DHPs in NLO field, such as easy syntheses, large NLO coefficients and high orientation stability, etc. In this review, the latest advancement of DHPs, including the design principle, synthesis, as well as their application as NLO materials is summarized. The new opportunities arising from DHPs are also summarized in the future perspective. Poling ; Dendrimer ; Materials science ; Intermolecular force ; Chromophore ; Intramolecular force ; Nonlinear optics ; Dipole ; Chemical physics ; Dielectric ; Nanotechnology ; Optoelectronics ; Nonlinear system ; Molecule ; Chemistry ; Photochemistry ; Polymer chemistry ; Physics ; Organic chemistry ; Ferroelectricity Nonlinear Optical Materials Research ; Dendrimers and Hyperbranched Polymers ; Advanced Fiber Laser Technologies
Authors: Zhenghong Jiang | Chunrong Zhou
Source: Advances in Materials Science and Engineering (article, 2022-08-03)
Field: Chemistry — Inorganic Chemistry

Automatic Measurement of Nanoimage Based on Machine Vision and Powder Metallurgy Materials The advantages of noncontact, high-efficiency, and fully automatic vision measurement technology make it widely used in industrial inspection and other fields. This study is based on the research of machine vision nanoimage automatic measurement and powder metallurgy materials. It aims to apply the machine vision imaging-related image processing technology principle to the automatic measurement of nanoimages and analyze the related properties of powder metallurgy materials and their image applications. This study mainly combines theory and practice to carry out experiments and data acquisition and analysis. On the one hand, it has a theoretical understanding of machine vision imaging principles and image segmentation; it also analyzes the properties and applications of powder metallurgy materials. On the other hand, on the basis of these theories, machine vision technology is fully applied to analyze the related physical properties such as the gap and density between tiny particles. Among them, the image measurement technology of moving targets is applied, and the model of the machine vision system is established. After a series of experimental verifications, the accuracy of the machine vision image measurements was fully guaranteed. The experimental results show that with the aid of machine vision technology, the accuracy of the observed data has been greatly increased; the maximum porosity of powder metallurgy materials has increased from 6.56 to 8.22; the maximum density has increased from 6.46 to 8.40. This demonstrates that automated image measurement based on machine vision technology can greatly improve the accuracy of measurements. Machine vision ; Powder metallurgy ; Artificial intelligence ; Image processing ; Materials science ; Computer science ; Computer vision ; Mechanical engineering ; Image (mathematics) ; Metallurgy ; Engineering ; Microstructure Pigment Synthesis and Properties ; Additive Manufacturing and 3D Printing Technologies ; Industrial Vision Systems and Defect Detection
Authors: Mohd Yusuf
Source: Journal of medical pharmaceutical and allied sciences (article, 2022-12-31)
Field: Materials Science — Materials Chemistry

Modern perspectives on biomedical applications of ZnO nanomaterials With extraordinary success, the past few decades witnessed high growth in nanoscience or nanotechnology that is turning towards innumerable dynamic sectors providing new pure as well as applied opportunities such as physics, chemistry, material, biology, medicine and many more. Day by day the advancements in the field of nanotechnology have been explored due to the high surface area, and multifunctional with acceptable biocompatibility make them capable to play the countless role of highly multifunctional-tailored drugs delivery alternates, phototherapy, bioimaging and gene delivery to develop new nanomaterials with various possible applicabilities. Numerous researchers have conducted various studies on the applicability of ZnO nanomaterials in the area of environment, biomedical and healthcare sectors Here, recent progress and modern perspectives are presented concerning ZnO nanomaterials for their biomedical applications. Nanotechnology ; Nanomaterials ; Engineering ethics ; Materials science ; Engineering Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics