jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shafeeq Ur Rehman | Furqan Shafqa | Muhammad Usman | Kamal Niaz
Source: Biomedical Research and Therapy (article, 2021-12-30)
Field: Chemistry — Organic Chemistry

Triclosan Induced Oxidative Stress, Estrogenicity, Mutagenicity, Carcinogenicity, and Genotoxicity: A Novel Therapeutic Approach Triclosan (TCS) is present in toothpaste and other cosmetic products as an antibacterial and antifungal agent. This manuscript highlights that TCS is a potential oxidative stress-causing agent, an estrogenic, mutagenic, cancer-causing agent, and genotoxic agent present in cosmetic products. This study also summarizes the therapeutic approach to overcome all of the harmful effects. It is a popular current topic, and a new research study is needed to find a new alternative as an antibacterial and anti-fungal agent instead of TCS. TCS causes oxidative stress when the dynamic balance in synthesizing and removing reactive oxygen species (ROS) within typical physiological circumstances is disturbed. The antioxidant defence system includes both enzymatic and non-enzymatic antioxidants produced by the organism to tackle the harmful effects of ROS. TCSs have estrogenic, proliferative, and apoptotic properties due to research on cell fate. The mutagenic potential of TCS has been examined using in vitro and in vivo research in prokaryotic, eukaryotic systems, and mammalian cells. It also induces carcinogenic, estrogenic, and mutagenic effects. TCS's therapeutic effects, especially against inflammatory skin conditions, have been demonstrated by many materials gathered from in vitro and in vivo experiments. The new findings suggest that TCS, a commonly used cosmetic product, may cause cancer, as shown by animal and human models and clinical trials. TCS is not effectively regulated, as evidenced by its presence in various environmental media, human bodies, and animals. Its irresponsible usage and disposal may endanger humans and wildlife. TCS has been found to damage a wide variety of cells in cell-based investigations. TCS's exact function in the environmental selection of antibiotic and multidrug resistance genes is still unclear. Comprehensive evaluations of these domains, especially to derive serious human health risk inferences from TCS outcomes, may help future research and legislation to better serve the public's health. Oxidative stress ; Triclosan ; Genotoxicity ; Carcinogen ; Reactive oxygen species ; In vivo ; DNA damage ; Antioxidant ; Pharmacology ; Biology ; Chemistry ; Biochemistry ; Toxicity ; Medicine ; Biotechnology ; DNA Antimicrobial agents and applications ; Antimicrobial Peptides and Activities ; Click Chemistry and Applications
Authors: Nagender Thadem | Manda Rajesh | Saibal Das
Source: RSC Advances (article, 2021-01-01)
Field: Chemistry — Organic Chemistry

Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts A formal diastereoselective 1,3-dipolar cycloaddition of azomethine ylide and coumarin derivatives to construct coumarin based spiro multi heterocyclics has been described. The <i>in situ</i> generation of azo-ylide was achieved for various heterocyclic carbonyls (indenoquinoxaline and isatin). This transformation is also suitable for maleimide dipolarophiles for the synthesis of hydro-maleimide derivatives. These decarboxylative annulations neither required any catalyst nor any activator. Further the pure products were isolated by filtration from the reaction mixture after the reaction under ambient conditions. Coumarin ; Adduct ; Chemistry ; Cycloaddition ; Combinatorial chemistry ; 1,3-Dipolar cycloaddition ; Activator (genetics) ; Stereochemistry ; Medicinal chemistry ; Organic chemistry ; Biochemistry ; Catalysis ; Gene Multicomponent Synthesis of Heterocycles ; Chemical Synthesis and Analysis ; Asymmetric Synthesis and Catalysis
Authors: Songtao Wu | Gunugunuri K. Reddy | Debasish Banerjee
Source: Advanced Intelligent Systems (article, 2021-06-29)
Field: Materials Science — Materials Chemistry

Pitch‐Black Nanostructured Copper Oxide as an Alternative to Carbon Black for Autonomous Environments Light detection and ranging (LiDAR) systems are becoming crucial for measuring the distance and creating a point cloud of the local environment, critical data for artificial intelligence to enable collision‐avoidance mechanisms. However, LiDAR utilizes radiation in the near‐infrared (NIR) region of the electromagnetic spectrum, which is prone to complete absorption by typical dark (such as painted by carbon black) colored objects, leading to loss of timely data points. Till date a very limited number of solutions have been put forward to address this. Herein, nanocrystallites of copper (II) oxide with specific prevalence of crystal facets that create nearly perfect black material at visible wavelengths are proposed. The sharp transition of absorbance near 700 nm wavelength light is attributed to the near‐unity ratio of (−111)/(111) the crystal facets and a crystal size of around 100 Å for the (−111) plane. Although indistinguishable from carbon black and with the same degree of measured blackness ( M y value 135.5), the nanocrystalline CuO shows 1500% better detectability by LiDAR. The study paves the way for the unconstrained use of dark objects in future society and infrastructure, moving a step closer toward fully autonomous operation of vehicles and robots. Carbon black ; Materials science ; Lidar ; Nanocrystalline material ; Wavelength ; Absorbance ; Crystal (programming language) ; Absorption (acoustics) ; Optics ; Visible spectrum ; Nanotechnology ; Remote sensing ; Optoelectronics ; Environmental science ; Computer science ; Physics ; Geology ; Composite material Copper-based nanomaterials and applications ; ZnO doping and properties ; Pigment Synthesis and Properties
Authors: Tung-Huan Su | Nian-Hu Lu | Chih‐Hsuan Chen | Chuin‐Shan Chen
Source: Materials (article, 2021-08-08)
Field: Materials Science — Materials Chemistry

On the Decrease in Transformation Stress in a Bicrystal Cu-Al-Mn Shape-Memory Alloy during Cyclic Compressive Deformation The evolution of the inhomogeneous distribution of the transformation stress (σs) and strain fields with an increasing number of cycles in two differently orientated grains is investigated for the first time using a combined technique of digital image correlation and data-driven identification. The theoretical transformation strains (εT) of these two grains with crystal orientations [5&nbsp;3&nbsp;26]β and [6&nbsp;5&nbsp;11]β along the loading direction are 10.1% and 7.1%, respectively. The grain with lower εT has a higher σs initially and a faster decrease in σs compared with the grain with higher εT. The results show that the grains with higher σs might trigger more dislocations during the martensite transformation, and thus result in greater residual strain and a larger decrease in σs during subsequent cycles. Grain boundary kinking in bicrystal induces an additional decrease in transformation stress. We conclude that a grain with crystal orientation that has high transformation strain and low transformation stress (with respect to loading direction) will exhibit stable transformation stress, and thus lead to higher functional performance in Cu-based shape memory alloys. Materials science ; Transformation (genetics) ; Grain boundary ; Diffusionless transformation ; Shape-memory alloy ; Stress (linguistics) ; Deformation (meteorology) ; Strain (injury) ; Martensite ; Crystallography ; Single crystal ; Alloy ; Digital image correlation ; Composite material ; Condensed matter physics ; Metallurgy ; Microstructure ; Physics ; Chemistry Shape Memory Alloy Transformations ; Titanium Alloys Microstructure and Properties
Authors: Ruben Gomez-Sanchez | Stephen Besley | Julie Ann Quayle | Jasmine Green | Natalie Warren-Godkin | Irene Areri | Zoe Zeliku
Source: SLAS DISCOVERY (article, 2021-06-18)
Field: Chemistry — Spectroscopy

Maintaining a High-Quality Screening Collection: The GSK Experience The storage of screening collections in DMSO is commonplace in the pharmaceutical industry. To ensure a high-quality screening collection, and hence effective and efficient high-throughput screening, all compounds entering the GlaxoSmithKline (GSK) screening collection undergo a liquid chromatography-mass spectrometry (LC-MS) quality control (QC). It is generally accepted that even under optimal conditions, a small percentage of these compounds are unstable after prolonged storage in DMSO. This article presents how these QC data can be mined using a data-driven clustering algorithm to identify chemical substructures likely to cause degradation in DMSO. This knowledge provides new structural filters for use in excluding compounds with these undesirable substructures from the collection. This information also suggests an efficient, targeted approach to compound collection clean-up initiatives. Stability studies are also designed to maintain a high-quality screening collection. To define the best practice for the storage and handling of solution samples, GSK has undertaken stability experiments for two decades, initially to support the implementation of new automated liquid stores and, subsequently, to enhance storage and use of compounds in solution through an understanding of compound degradation under storage and assay conditions. Data collection ; Computer science ; High-throughput screening ; Quality (philosophy) ; Degradation (telecommunications) ; Cluster analysis ; Combinatorial chemistry ; Process engineering ; Chromatography ; Biochemical engineering ; Chemistry ; Data mining ; Machine learning ; Mathematics ; Engineering ; Telecommunications Analytical Chemistry and Chromatography ; Metabolomics and Mass Spectrometry Studies ; Computational Drug Discovery Methods
Authors: Ivan Shtepliuk | Ivan G. Ivanov | N. Pliatsikas | Tihomir Iakimov | Milena Beshkova | Kostas Sarakinos | Rositsa Yakimova
Source: physica status solidi (a) (article, 2021-04-24)
Field: Materials Science — Materials Chemistry

Exploring the Interface Landscape of Noble Metals on Epitaxial Graphene Understanding the interaction between noble metals (NMs) and epitaxial graphene is essential for the design and fabrication of novel devices. Within this framework, a combined experimental and theoretical investigation of the effect of vapor‐deposited NM (silver [Ag] and gold [Au]) nanostructures on the vibrational and electronic properties of monolayer epitaxial graphene (MLG) on 4H‐SiC is presented. Large sets of Raman scattering data are analyzed using supervised classification and statistical methods. This analysis enables identification of the specific Raman fingerprints of Au‐ and Ag‐decorated MLG originating from different dispersion interactions and charge transfer at the metal nanostructure/MLG interface. It is found that Raman scattering spectra of Au‐decorated MLG feature a set of allowed phonon modes similar to those in pristine MLG, whereas the stronger Ag physisorption triggers an activation of defect‐related phonon modes and electron doping of MLG. A principal component analysis (PCA) and linear discriminant analysis (LDA) are leveraged to highlight the features in phonon dispersion of MLG that emanate from the NM deposition process and to robustly classify large‐scale Raman spectra of metal‐decorated graphene. The present results can be advantageous for designing highly selective sensor arrays on MLG patches decorated with different metals. Graphene ; Raman scattering ; Noble metal ; Raman spectroscopy ; Materials science ; Phonon ; Nanotechnology ; Metal ; Condensed matter physics ; Physics ; Optics Graphene research and applications ; Advancements in Semiconductor Devices and Circuit Design ; Carbon Nanotubes in Composites
Authors: Makoto Otsuka | Fumiya Funakubo | Takumi Suzuki | Yusuke Hattori | Kunihiko Tsutsui | Naoki Adachi | Tetsuo Sasaki
Source: Journal of Drug Delivery Science and Technology (article, 2021-08-27)
Field: Chemistry — Analytical Chemistry

Real-time monitoring of tablet surface temperature during high-speed tableting by infrared thermal imaging Tableting ; Infrared ; Materials science ; Thermal infrared ; Thermal ; Composite material ; Optics ; Meteorology ; Physics Spectroscopy and Chemometric Analyses ; Microencapsulation and Drying Processes ; Drug Solubulity and Delivery Systems
Authors: Eistiak Ahamed | Ahmed Mahfuz Tamim | Mohammad Rashed Iqbal Faruque | Rasheduzzaman Sifat | Mohammad Tariqul Islam
Source: Frontiers in Physics (article, 2021-04-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Reconfigurable THz Metamaterial Filter Based on Binary Response for Information Processing System Light-matter interactions between the metallic and dielectric layers along with the controlling of electromagnetic waves can create a way to develop micro-devices and moderate the functionalities for advanced applications. This study describes a new controlling technique of the plasmatic electron packet based on an electric split-ring resonator (eSRR). All numerical experiments were performed using an advanced CST electromagnetic package. The proposed metamaterial tunneled structure in this study operates using terahertz (THz) frequency spectrum as an efficient digital processing filter. The array combination of the tunneled structure consisted of three individual unit cells. Moreover, the two engineered metallic arms added to the tunneled structure exhibited two peak resonances and one passband frequency region. A large evanescent field was produced to enhance the wave-metal interactions with the presence of a metal-dielectric micro-tunnel. The intensity of the electromagnetic wave-metal interactions was encoded to binary 0 and 1 for information encoding purposes. As a result, the reconfigurable micro-unit cell metamaterial tunneled structure was able to effectively control the electric field and allow electron packets to be digitally encoded for the information processing system. Metamaterial ; Terahertz radiation ; Optoelectronics ; Resonator ; Passband ; Electromagnetic radiation ; Filter (signal processing) ; Materials science ; Dielectric ; Split-ring resonator ; Optics ; Computer science ; Electronic engineering ; Physics ; Band-pass filter ; Electrical engineering ; Engineering Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Ryo Tamura | Yuki Takei | Shin‐ichiro Imai | Maki Nakahara | Satoshi Shibata | Takashi Nakanishi | Masahiko Demura
Source: Science and Technology of Advanced Materials Methods (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Experimental design for the highly accurate prediction of material properties using descriptors obtained by measurement In materials science, both controllable and uncontrollable descriptors can be used to characterize materials. Examples of controllable descriptors include the composition of elements and fabrication processes; in contrast, uncontrollable descriptors are generated by experimental data characterizing particular samples, such as raw spectral data or specific gravity. In this study, we consider an experimental design to obtain a highly accurate prediction model where the uncontrollable descriptors of materials are features and its material properties are labels. In general, as uncontrollable descriptors are more closely related to material properties, predictions based on them will be more accurate. The goal of the experimental design in the present study is not the improvement of the material properties as such but the prediction of their properties. To realize this design, we select appropriate controllable descriptors for the synthesis of the candidate material that improve the prediction accuracy when the corresponding uncontrollable descriptors and material properties are added to the training data. We propose two experimental design methods, one based on Bayesian optimization and the other on uncertainty sampling. Using a polymer database in which controllable and uncontrollable descriptors, and mechanical properties are recorded, we confirm that our method can select an appropriate candidate material to train a highly accurate prediction model in which the material properties are predicted by uncontrollable descriptors. Our proposed method can be applied to materials developments where uncontrollable descriptors are more easily obtained by experiments than obtaining target material properties; it will also be useful for extracting the relationship between structure and properties of a material. Material properties ; Computer science ; Experimental data ; Material Design ; Biological system ; Data mining ; Artificial intelligence ; Materials science ; Mathematics ; Statistics Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Spectroscopy and Chemometric Analyses
Authors: R. Befru Büyükbayraktar | GÜLCAN ERCIVAN BATUR
Source: Industria Textila (article, 2021-09-01)
Field: Materials Science — Polymers and Plastics

The comparison of classical weaving and laser technology in denim fabric’s design Denim fabrics became a preferred product by many people, because of especially being a symbol of comfort. In thisstudy, the aesthetic and physical design of denim fabrics were carried out. It was aimed to compare the surface designsand structural parameters of denim fabrics obtained by weaving and laser technologies. Besides the design steps ofweaving and laser technologies were explained and compared. Twelve denim fabrics having different surface designswere obtained with the intersection of indigo dyed warp and non-dyed weft yarns based on the theme of “contrast” byusing derivatives of twill weave. Besides, these surface patterns were applied to classical denim fabrics by lasertechnology. The surface properties of denim fabrics produced by weaving technology were different for each surfacedesigns because of different floatings. However, weaving is a time-consuming method and the design steps are morecomplicated. On the other hand, surface patterns of fabrics obtained by laser technology were found similar to wovenones and it had advantages as having greater design capacity, being a simpler, faster and eco-friendly method Denim ; Weaving ; Textile ; Materials science ; Composite material Textile materials and evaluations
Authors: Athira Raveendran | Suchithra Poilil Surendran | Jinhui Ser | Khurshed Alam | Hoonsung Cho | Yong Yeon Jeong
Source: International Journal of Nanomedicine (article, 2021-10-01)
Field: Materials Science — Biomaterials

Heptamethine Cyanine Dye MHI-148-Mediated Drug Delivery System to Enhance the Anticancer Efficiency of Paclitaxel The results indicated that PTX-MHI-mediated cancer therapy exerts an excellent inhibitory effect on colon carcinoma (HT-29) cell growth with low toxicity in normal fibroblasts (NIH3T3). Paclitaxel ; Anticancer drug ; Cyanine ; Drug delivery ; Drug ; Pharmacology ; Medicine ; Materials science ; Nanotechnology ; Internal medicine ; Chemotherapy Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Uldis Malinovskis | Aleksandrs Dutovs | Raimonds Popļausks | Daniels Jevdokimovs | Octavio Graniel | Mikhaël Bechelany | Indriķis Muižnieks | Donāts Erts | Juris Prikulis
Source: Coatings (article, 2021-06-24)
Field: Materials Science — Materials Chemistry

Visible Photoluminescence of Variable-Length Zinc Oxide Nanorods Embedded in Porous Anodic Alumina Template for Biosensor Applications Zinc oxide (ZnO) and porous anodic aluminum oxide (PAAO) are technologically important materials, rich with features that are of interest in optical applications, for example, in light-emitting and sensing devices. Here, we present synthesis method of aligned ZnO nanorods (NR) with 40 nm diameter and variable length in 150 to 500 nm range obtained by atomic layer deposition (ALD) of ZnO in pores of continuously variable thickness PAAO. The relative intensity of yellow (1.99 eV), green (2.35 eV), and blue (2.82 eV) photoluminescence (PL) components originating from the different types of defects, varied with non-monotonic dependency on the composite film thickness with a Fabry–Pérot like modulation. The intensity variation of any individual PL component correlated well with anti-reflective properties of ZnO NR–PAAO composite film at the peak wavelength of the particular PL component. This provides a route for selective enhancement or suppression of color components of hybrid fluorescent emitters by tuning only geometric parameters, with potential use in imaging and other optical devices. As an application example we tested the composite film for sensing of vascular endothelial growth factor (VEGF) using a widely accessible fluorescence microscopy setup. The intensity of the yellow and green PL components reduced in response to increased VEGF concentrations, whereas blue component remained invariant. Photoluminescence ; Nanorod ; Materials science ; Atomic layer deposition ; Zinc ; Optoelectronics ; Porosity ; Deposition (geology) ; Luminescence ; Light-emitting diode ; Fluorescence ; Composite number ; Biosensor ; Oxide ; Nanotechnology ; Thin film ; Optics ; Composite material ; Metallurgy Anodic Oxide Films and Nanostructures ; ZnO doping and properties ; Ga2O3 and related materials
Authors: Adrián García-Salvador | Alberto Katsumiti | Elena Rojas | Carol Aristimuño | M. Betanzos | Marta Martínez Moro | Sergio Moya | Felipe Goñi‐de‐Cerio
Source: Preprints.org (preprint, 2021-05-21)
Field: Materials Science — Materials Chemistry

A Complete In Vitro Toxicological Assessment of the Biological Effects of Cerium Oxide Nanoparticles: From Acute Toxicity to Multi-Dose Subchronic Cytotoxicity Study. Engineered nanomaterials (ENMs) are of significant relevance due to their unique properties, which have been exploited for widespread applications. Cerium oxide nanoparticles (CeO2-NPs) are one of most exploited ENM in the industry due to their excellent catalytic and multi-enzyme mimetic properties. Thus, toxicological effects of these ENMs should be further studied. Acute and subchronic toxicity of CeO2-NPs were assessed. First an in vitro multi-dose short-term (24h) toxicological assessment was performed in three different cell lines: A549 and Calu3, representing the lung tissue, and 3T3 as an interstitial tissue model. After that, a sub-chronic toxicity assessment (90 days) of these NPs was carried out on a realistic and well stablished reconstituted primary human airway epithelial model (MucilAir&amp;trade;), cultured at the Air-Liquid Interface (ALI), to study long-term effects of these particles. Results showed minor toxicity of CeO2-NPs in acute exposures. However, in subchronic exposures, cytotoxic and inflammatory responses were observed in the human airway epithelial model after 60 days of exposure to CeO2-NPs. These results suggest that acute toxicity approaches may underestimate the toxicological effect of some ENM, highlighting the need of subchronic toxicological studies in order to accurately assess the toxicity of ENM and their cumulative effects in the organism. Toxicity ; Acute toxicity ; Cerium oxide ; Nanotoxicology ; Cytotoxicity ; Chemistry ; Pharmacology ; In vitro toxicology ; In vitro ; Medicine ; Biochemistry ; Catalysis Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis