jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Eleni Kalopesa | Konstantinos Karyotis | Nikolaos Tziolas | Nikolaos Tsakiridis | Nikiforos Samarinas | George Zalidis
Source: Sensors (article, 2023-01-17)
Field: Chemistry — Analytical Chemistry

Estimation of Sugar Content in Wine Grapes via In Situ VNIR–SWIR Point Spectroscopy Using Explainable Artificial Intelligence Techniques Spectroscopy is a widely used technique that can contribute to food quality assessment in a simple and inexpensive way. Especially in grape production, the visible and near infrared (VNIR) and the short-wave infrared (SWIR) regions are of great interest, and they may be utilized for both fruit monitoring and quality control at all stages of maturity. The aim of this work was the quantitative estimation of the wine grape ripeness, for four different grape varieties, by using a highly accurate contact probe spectrometer that covers the entire VNIR-SWIR spectrum (350-2500 nm). The four varieties under examination were Chardonnay, Malagouzia, Sauvignon-Blanc, and Syrah and all the samples were collected over the 2020 and 2021 harvest and pre-harvest phenological stages (corresponding to stages 81 through 89 of the BBCH scale) from the vineyard of Ktima Gerovassiliou located in Northern Greece. All measurements were performed in situ and a refractometer was used to measure the total soluble solids content (°Brix) of the grapes, providing the ground truth data. After the development of the grape spectra library, four different machine learning algorithms, namely Partial Least Squares regression (PLS), Random Forest regression, Support Vector Regression (SVR), and Convolutional Neural Networks (CNN), coupled with several pre-treatment methods were applied for the prediction of the °Brix content from the VNIR-SWIR hyperspectral data. The performance of the different models was evaluated using a cross-validation strategy with three metrics, namely the coefficient of the determination (R2), the root mean square error (RMSE), and the ratio of performance to interquartile distance (RPIQ). High accuracy was achieved for Malagouzia, Sauvignon-Blanc, and Syrah from the best models developed using the CNN learning algorithm (R2>0.8, RPIQ≥4), while a good fit was attained for the Chardonnay variety from SVR (R2=0.63, RMSE=2.10, RPIQ=2.24), proving that by using a portable spectrometer the in situ estimation of the wine grape maturity could be provided. The proposed methodology could be a valuable tool for wine producers making real-time decisions on harvest time and with a non-destructive way. VNIR ; Partial least squares regression ; Hyperspectral imaging ; Mean squared error ; Support vector machine ; Remote sensing ; Artificial intelligence ; Ripeness ; Mathematics ; Environmental science ; Computer science ; Chemistry ; Statistics ; Food science ; Geography Spectroscopy and Chemometric Analyses ; Horticultural and Viticultural Research ; Remote Sensing in Agriculture
Authors: Chiara Cevoli | Eleonora Iaccheri | Angelo Fabbri | Luigi Ragni
Source: Biosystems Engineering (article, 2023-12-27)
Field: Chemistry — Analytical Chemistry

Data fusion of FT-NIR spectroscopy and Vis/NIR hyperspectral imaging to predict quality parameters of yellow flesh “Jintao” kiwifruit The internal quality of kiwifruit, in terms of soluble solid content (SSC), flesh firmness (FF), and dry matter (DM), is widely recognised as a key feature for fruit sorting and pre-harvest assessment. Furthermore, flesh hue (FH) is another important parameter to consider for yellow flesh kiwifruits. NIR and VIS/NIR spectroscopic techniques are valuable alternatives for rapid and non-destructively prediction of all these quality parameters in fruit. Accordingly, the aim of this work was to build a partial least square (PLS) regression models to estimate SSC, FF, FH, and DM of yellow fleshed Actinida chinensis (Jintao) starting from Vis/NIR hyperspectral imaging (400–1000 nm) and FT-NIR (800–2500 nm) spectroscopy data. To take advantage of the complementary information of the two different spectral ranges, data fusion strategies were investigated to concatenate the data before PLS models. In particular, two different sequential fusion methods were used: low-level data fusion based on the concatenation of the pretreated spectra, and mid-level feature fusion characterised by the concatenation of features (scores) obtained by principal component analysis (PCA) or PLS models developed considering individually each data set. For all quality parameters, the best results were achieved by adopting the second approach of mid-level data fusion (PLS scores), reporting RP2 (test set validation) of 0.914 (RMSEP=0.97°Brix), 0.843 (RMEP=1.82°H), 0.866 (RMSEP=9.41N), and 0.854 (RMSEP = 0.64%) for SSC, FH, FF, and DM, respectively. Furthermore, with respect to the PLS models from the individual data sets, the results reported a mean RMSEP reduction of 16.0 ± 4.8%, confirming the potential of the data fusion in improving the PLS prediction power for the quality parameter of kiwifruit. Hyperspectral imaging ; Flesh ; Principal component analysis ; Concatenation (mathematics) ; Partial least squares regression ; Fusion ; Mathematics ; Artificial intelligence ; Near-infrared spectroscopy ; Pattern recognition (psychology) ; Food science ; Chemistry ; Computer science ; Statistics ; Physics ; Optics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Scott T. Keene | Akshay Rao | George G. Malliaras
Source: Science Advances (article, 2023-08-30)
Field: Materials Science — Polymers and Plastics

The relationship between ionic-electronic coupling and transport in organic mixed conductors Organic mixed ionic-electronic conductors (OMIECs) directly convert between ionic and electronic charge through electrochemical (de)doping, enabling a wide range of applications in bioelectronics, neuromorphic computing, and energy storage and conversion. While both ionic and electronic transport are individually well characterized, their combined transport has been difficult to describe self-consistently. We use in situ measurements of electrochemical (de)doping of an archetypal OMIEC to inform a quasi-field drift-diffusion model, which accurately captures experimentally measured ion transport across a range of potentials. We find that the chemical potential of holes, which is modulated by changes in doping level, represents a major driving force for mixed charge transport. Using numerical simulations at device-relevant time scales and potentials, we find that the competition between hole drift and diffusion leads to diffuse space charge regions despite high charge densities. This effect is unique to mixed conducting systems where mobile ionic charges can compensate the accumulation or depletion of electronic charge, thereby screening electrostatic driving forces. Chemical physics ; Ionic bonding ; Doping ; Bioelectronics ; Diffusion ; Space charge ; Materials science ; Charge (physics) ; Ion ; Electrical conductor ; Electrochemistry ; Neuromorphic engineering ; Partial charge ; Range (aeronautics) ; Nanotechnology ; Optoelectronics ; Electrode ; Chemistry ; Physics ; Computer science ; Physical chemistry ; Thermodynamics ; Electron Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Advanced Memory and Neural Computing
Authors: Yaoyao Zhang | Kangze Yuan | Luca Magagnin | Xishe Wu | Zhenyi Jiang | Wei Wang
Source: Chemical Engineering Journal (article, 2023-02-20)
Field: Chemistry — Spectroscopy

Schiff base functionalized silica aerogels for enhanced removal of Pb (II) and Cu (II): Performances, DFT calculations and LCA analysis Adsorption ; Chemistry ; Schiff base ; Desorption ; Endothermic process ; Langmuir adsorption model ; Inorganic chemistry ; Tetraethyl orthosilicate ; Orthosilicate ; Chemical engineering ; Physical chemistry ; Polymer chemistry ; Organic chemistry Aerogels and thermal insulation ; Adsorption and biosorption for pollutant removal ; Supercapacitor Materials and Fabrication
Authors: Yang‐Bao Miao | Zhao Wang | Gao Renchi | Gong Ying | Yi Shi
Source: Journal of Nanobiotechnology (review, 2023-01-28)
Field: Materials Science — Biomaterials

Customizing delivery nano-vehicles for precise brain tumor therapy Although some tumor has become a curable disease for many patients, involvement of the central nervous system (CNS) is still a major concern. The blood-brain barrier (BBB), a special structure in the CNS, protects the brain from bloodborne pathogens via its excellent barrier properties and hinders new drug development for brain tumor. Recent breakthroughs in nanotechnology have resulted in various nanovehicless (NPs) as drug carriers to cross the BBB by different strategys. Here, the complex compositions and special characteristics of causes of brain tumor formation and BBB are elucidated exhaustively. Additionally, versatile drug nanovehicles with their recent applications and their pathways on different drug delivery strategies to overcome the BBB obstacle for anti-brain tumor are briefly discussed. Customizing nanoparticles for brain tumor treatments is proposed to improve the efficacy of brain tumor treatments via drug delivery from the gut to the brain. This review provides a broad perspective on customizing delivery nano-vehicles characteristics facilitate drug distribution across the brain and pave the way for the creation of innovative nanotechnology-based nanomaterials for brain tumor treatments. Nanorobotics ; Nanotechnology ; Neuroscience ; Medicine ; Psychology ; Materials science Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Micro and Nano Robotics
Authors: Zhichu Ren | Zekun Ren | Zhen Zhang | Tonio Buonassisi | Ju Li
Source: Nature Reviews Materials (review, 2023-08-03)
Field: Materials Science — Materials Chemistry

Autonomous experiments using active learning and AI Reconfigurability ; Workflow ; Computer science ; Interoperability ; Set (abstract data type) ; Automation ; Autonomous learning ; Artificial intelligence ; Active learning (machine learning) ; Software engineering ; Engineering ; Programming language ; World Wide Web ; Mathematics ; Database Machine Learning in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation ; Machine Learning and Algorithms
Authors: Uday Abdul‐Reda Hussein | Zaid H. Mahmoud | Karam Myaser Abd Alaziz | M. L. Alid | Yaser Yasin | Farah Ali | Ahmed Nassir Faisal | N. Ahmed | Ehsan Kianfar
Source: Brazilian Journal of Biology (review, 2023-05-15)
Field: Materials Science — Materials Chemistry

Antimicrobial finishing of textiles using nanomaterials Metals, such as copper and silver, can be extremely toxic to bacteria at exceptionally low concentrations. Because of this biocidal activity, metals have been widely used as antimicrobial agents in a multitude of applications related with agriculture, healthcare, and the industry in general. A large number of microorganisms live in the human environment. if the balance of these creatures in nature is disturbed, the health of the individual and society will be threatened due to the production and emission of unpleasant odors and the reduction of health standards. The presence of microorganisms on textiles can cause adverse effects such as discoloration or staining on textiles, decomposition of fibrous materials, reduced strength, and eventually decay of textiles. Most fibers and polymers do not show resistance to the effects of microbes and by providing growth factors for microorganisms such as the right temperature and humidity, nutrients from sweat and fat from skin glands, dead skin cells as well as materials used in the stage of finishing the textiles causes the rapid growth and spread of various microbes. With the advent of nanotechnology, various industries and human daily life underwent changes. In recent years, increasing research on nanoparticles has led to the production of textiles with greater efficiency and added value. These modified textiles prevent the spread of unpleasant odors, the spread, and transmission of diseases. This article reviews the basics and principles of antimicrobial tetiles, as well as a brief overview of antimicrobial materials and nanostructures with antimicrobial properties. Antimicrobial ; Creatures ; Microorganism ; Textile ; Nanotechnology ; Biology ; Materials science ; Biotechnology ; Bacteria ; Microbiology ; Composite material Nanoparticles: synthesis and applications ; Microplastics and Plastic Pollution
Authors: Jin‐Cheng Shu | Mao‐Sheng Cao | Yan‐Lan Zhang | Wen‐Qiang Cao
Source: Advanced Science (article, 2023-07-10)
Field: Materials Science — Materials Chemistry

Heterodimensional Structure Switching Multispectral Stealth and Multimedia Interaction Devices Lightweight and flexible electronic materials with high energy attenuation hold an unassailable position in electromagnetic stealth and intelligent devices. Among them, emerging heterodimensional structure draws intensive attention in the frontiers of materials, chemistry, and electronics, owing to the unique electronic, magnetic, thermal, and optical properties. Herein, an intrinsic heterodimensional structure consisting of alternating assembly of 0D magnetic clusters and 2D conductive layers is developed, and its macroscopic electromagnetic properties are flexibly designed by customizing the number of oxidative molecular layer deposition (oMLD) cycles. This unique heterodimensional structure features highly ordered spatial distribution, with an achievement of electron-dipole and magnetic-dielectric double synergies, which exhibits the high attenuation of electromagnetic energy (160) and substantial improvement of dielectric loss tangent (≈200%). It can respond to electromagnetic waves of different bands to achieve multispectral stealth, covering visible light, infrared radiation, and gigahertz wave. Importantly, two kinds of ingenious information interaction devices are constructed with heterodimensional structure. The hierarchical antennas allow precise targeting of operating bands (S- to Ku- bands) by oMLD cycles. The strain imaging device with high sensitivity opens a new horizon for visual interaction. This work provides a creative insight for developing advanced micro-nano materials and intelligent devices. Optoelectronics ; Electromagnetic radiation ; Materials science ; Dielectric ; Attenuation ; Electronics ; Computer science ; Optics ; Physics ; Electrical engineering MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Electromagnetic wave absorption materials
Authors: Daniel A. Strassfeld | Chia-Yu Chen | Han Seul Park | D. Quang Phan | Jin‐Quan Yu
Source: Nature (article, 2023-09-06)
Field: Chemistry — Organic Chemistry

Hydrogen-bond-acceptor ligands enable distal C(sp3)–H arylation of free alcohols Chemistry ; Catalysis ; Hydrogen bond ; Reactivity (psychology) ; Molecule ; Acceptor ; Context (archaeology) ; Combinatorial chemistry ; Palladium ; Stereochemistry ; Transition metal ; Substituent ; Organic chemistry Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions ; Asymmetric Hydrogenation and Catalysis
Authors: Anjana Ramesh Peringath | Mohammad Ali Haghighat Bayan | Mustehsan Beg | Amrita Jain | Filippo Pierini | Nikolaj Gadegaard | R. A. Hogg | Libu Manjakkal
Source: Journal of Energy Storage (article, 2023-08-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Chemical synthesis of polyaniline and polythiophene electrodes with excellent performance in supercapacitors The emergence of portable electronics in miniaturized and intelligent devices demands high-performance supercapacitors (SC) and batteries as power sources. For the fabrication of such energy storage devices, conducting polymers (CPs) have significant advantages due to their high theoretical capacitive performance and conductivity. In this work, we developed two CPs including polyaniline and polythiophene through a low-cost chemically synthesized approach and the film-by-spin coating method. The structural and morphological properties of the CPs are analyzed using Fourier-transform infrared spectroscopy (FTIR), contact angle measurement, and scanning electron microscopy (SEM). Based on these CPs, novel pristine polyaniline and polythiophene-based SCs (PASC and PTSC) are developed. The prepared CPs contribute to high electrochemical performances due to their high conductive nature of the electrode and conjugated polymer materials reaction. Hence both electrochemical double-layer formation and pseudocapacitance contributed to the energy-storing performances of the device. Electrochemical impedance spectroscopic analysis (0.1 Hz to 100 kHz) demonstrates faster ionic exchange and high capacitance of the PASC electrode as compared to PTSC in H3PO4 electrolyte. The PASC devices exhibit specific capacitance of 13.22 mF·cm−2 with energy and power densities of 1.175 μW·h·cm−2 and 4.99 μW·cm−2 at a current of 50 μA. Compared to PTSC (specific capacitance 3.30 mF·cm−2) the PASC shows four times higher specific capacitance due to its improved surface, structural and electrical properties. The electrochemical performance reveals the superior SC performance for this type of CP electrode. Supercapacitor ; Polyaniline ; Materials science ; Capacitance ; Polythiophene ; Pseudocapacitance ; Electrode ; Conductive polymer ; Dielectric spectroscopy ; Electrolyte ; Fourier transform infrared spectroscopy ; Chemical engineering ; Pseudocapacitor ; Electrochemistry ; Nanotechnology ; Optoelectronics ; Analytical Chemistry (journal) ; Polymer ; Composite material ; Chemistry ; Polymerization ; Organic chemistry Supercapacitor Materials and Fabrication ; Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Yong Liu | Weizhi Zou | Meng Yang | Heng Luo | Shijia Yang | Jian Xu | Ning Zhao
Source: Advanced Functional Materials (article, 2023-05-25)
Field: Materials Science — Materials Chemistry

Polymer Films with Metal‐Like Thermal Conductivity, Excellent Stability, and Flame Retardancy Abstract Polymers often have thermal conductivities that are too low to be used directly in thermal management applications. In this study, a poly(p‐phenylene‐2,6‐benzobisoxazole) (PBO) film is prepared through a sol–gel‐film conversion and annealing method that utilizes PBO nanofibers as building blocks. The polymer film shows an in‐plane thermal conductivity of 36.7 W mK −1 , which is two orders of magnitude higher than those of most polymers (&lt;0.5 W mK −1 ) and 2.4 times that of 304‐stainless steel. The high thermal conductivity is attributed to the highly oriented 3D interconnected nanofiber network resulting from the fine‐tuning sol‐gel‐film conversion, and the annealing that further enhances the ordering of the PBO chains and the interactions between the nanofibers. Moreover, the PBO films exhibit excellent mechanical strength, thermal/chemical stability, electrical insulation, flame retardance, and improved UV resistance. The lightweight, robust, and easily processed PBO film with a metal‐like thermal conductivity has promising potential thermal management applications. Materials science ; Nanofiber ; Thermal conductivity ; Thermal stability ; Polymer ; Composite material ; Annealing (glass) ; Thermal insulation ; Conductivity ; Metal ; Thermal ; Sol-gel ; Chemical engineering ; Nanotechnology ; Metallurgy Thermal properties of materials ; Flame retardant materials and properties ; Synthesis and properties of polymers
Authors: Naomi M. Hamelmann | Jos M. J. Paulusse
Source: Journal of Controlled Release (review, 2023-02-28)
Field: Chemistry — Organic Chemistry

Single-chain polymer nanoparticles in biomedical applications Single-chain polymer nanoparticles (SCNPs) are a well-defined and uniquely sized class of polymer nanoparticles. The advances in polymer science over the past decades have enabled the development of a variety of intramolecular crosslinking systems, leading to particles in the 5-20 nm size regime. Which is aligned with the size regime of proteins and therefore making SCNPs an interesting class of NPs for biomedical applications. The high modularity of SCNP design and the ease of their functionalization have led to growing research interest. In this review, we describe different crosslinking systems, as well as the preparation of functional SCNPs and the variety of biomedical applications that have been explored. Nanotechnology ; Nanoparticle ; Modularity (biology) ; Polymer ; Single chain ; Intramolecular force ; Variety (cybernetics) ; Materials science ; Chemistry ; Computer science ; Organic chemistry Advanced Polymer Synthesis and Characterization ; Polymer Surface Interaction Studies ; Nanoparticle-Based Drug Delivery
Authors: Yasir Faraz Abbasi | Hriday Bera | Dongmei Cun | Mingshi Yang
Source: Carbohydrate Polymers (review, 2023-03-11)
Field: Materials Science — Biomaterials

Recent advances in pH/enzyme-responsive polysaccharide-small-molecule drug conjugates as nanotherapeutics Chemistry ; Conjugate ; Polysaccharide ; Biocompatibility ; Small molecule ; Drug ; Drug delivery ; Conjugated system ; Bioavailability ; Combinatorial chemistry ; Enzyme ; Solubility ; Molecule ; Biochemistry ; Polymer ; Organic chemistry ; Pharmacology ; Biology Nanoparticle-Based Drug Delivery ; Hydrogels: synthesis, properties, applications ; Polymer Surface Interaction Studies
Authors: Divya Bharti | Kanakaraju Medicherla | Deep Pooja | Hitesh Kulhari
Source: Pharmaceutics (review, 2023-03-01)
Field: Materials Science — Polymers and Plastics

Dendrimer-Mediated Delivery of Anticancer Drugs for Colon Cancer Treatment The third most common cancer worldwide is colon cancer (CC). Every year, there more cases are reported, yet there are not enough effective treatments. This emphasizes the need for new drug delivery strategies to increase the success rate and reduce side effects. Recently, a lot of trials have been done for developing natural and synthetic medicines for CC, among which the nanoparticle-based approach is the most trending. Dendrimers are one of the most utilized nanomaterials that are accessible and offer several benefits in the chemotherapy-based treatment of CC by improving the stability, solubility, and bioavailability of drugs. They are highly branched polymers, making it simple to conjugate and encapsulate medicines. Dendrimers have nanoscale features that enable the differentiation of inherent metabolic disparities between cancer cells and healthy cells, enabling the passive targeting of CC. Moreover, dendrimer surfaces can be easily functionalized to improve the specificity and enable active targeting of colon cancer. Therefore, dendrimers can be explored as smart nanocarriers for CC chemotherapy. Dendrimer ; Nanocarriers ; Drug delivery ; Colorectal cancer ; Drug ; Bioavailability ; Nanotechnology ; Pharmacology ; Cancer therapy ; Cancer ; Targeted drug delivery ; Conjugate ; Medicine ; Chemistry ; Materials science ; Internal medicine ; Biochemistry Dendrimers and Hyperbranched Polymers ; RNA Interference and Gene Delivery ; Ferrocene Chemistry and Applications