jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Noemí Contreras‐Pereda | Salvador Pané | Josep Puigmartí‐Luis | Daniel Ruiz‐Molina
Source: Coordination Chemistry Reviews (article, 2022-02-24)
Field: Materials Science — Materials Chemistry

Conductive properties of triphenylene MOFs and COFs Triphenylene (TP) based materials have experienced a great expansion in the latest years. TP molecules have interesting optoelectronic properties, arising from the aromatic core, which have been exploited in functional two-dimensional (2D) Metal-Organic Frameworks (MOFs) and Covalent Organic Frameworks (COFs) aside other organic polymers. In this review we summarize synthetic approaches of TP-based 2D MOFs and COFs emphasizing on the resulting morphology, crystalline domains and orientation, proven to have great impact on the properties and performance of these materials in functional devices. Specifically, we report a detailed description on the different TP-based 2D structures detailing the influence of the chemical and crystalline structure on the electronic properties, specially the in-plane and out-of-plane contribution to the electrical conductivity. Finally, we give also attention and present several examples of functional devices made out with these electronic materials with great impact in the literature as well as in future technological applications. Triphenylene ; Chemistry ; Nanotechnology ; Metal-organic framework ; Molecule ; Electrical conductor ; Materials science ; Organic chemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Denis Gebauer | Julian D. Gale | Helmut Cölfen
Source: Small (review, 2022-06-09)
Field: Materials Science — Biomaterials

Crystal Nucleation and Growth of Inorganic Ionic Materials from Aqueous Solution: Selected Recent Developments, and Implications In this review article, selected, latest theoretical, and experimental developments in the field of nucleation and crystal growth of inorganic materials from aqueous solution are highlighted, with a focus on literature after 2015 and on non-classical pathways. A key point is to emphasize the so far underappreciated role of water and solvent entropy in crystallization at all stages from solution speciation through to the final crystal. While drawing on examples from current inorganic materials where non-classical behavior has been proposed, the potential of these approaches to be adapted to a wide-range of systems is also discussed, while considering the broader implications of the current re-assessment of pathways for crystallization. Various techniques that are suitable for the exploration of crystallization pathways in aqueous solution, from nucleation to crystal growth are summarized, and a flow chart for the assignment of specific theories based on experimental observations is proposed. Nucleation ; Crystallization ; Aqueous solution ; Crystal growth ; Crystal (programming language) ; Materials science ; Ionic bonding ; Chemical physics ; Nanotechnology ; Chemistry ; Thermodynamics ; Computer science ; Physical chemistry ; Crystallography ; Physics ; Ion ; Organic chemistry Calcium Carbonate Crystallization and Inhibition ; Crystallization and Solubility Studies ; Spectroscopy and Quantum Chemical Studies
Authors: Ebin Sebastian | Mahesh Hariharan
Source: ACS Energy Letters (article, 2022-01-26)
Field: Chemistry — Physical and Theoretical Chemistry

Symmetry-Breaking Charge Separation in Molecular Constructs for Efficient Light Energy Conversion The generation of electron–hole radical pair at the active layer of organic photovoltaics through symmetry-breaking charge separation (SB-CS) has a crucial role in enhancing open-circuit voltage (Voc) and thereby increasing power conversion efficiency. Since the SB-CS materials achieve intramolecular charge separation with a negligible energetic driving force and decelerated charge recombination (CR) rate, SB-CS has been subjected to extensive experimental and theoretical studies. This Focus Review assesses the fundamentals of photosynthetic reaction centers, especially the “special pair”, and discusses how covalent control over the geometric arrangement, surrounding dielectric medium, and substitutions on multichromophoric perylenediimide architecture affects the energy landscape of SB-CS and CR. We systematically summarize the kinetically favored undesirable radiative and non-radiative deactivation channels of SB-CS and CR processes on diverse chromophoric arrangements. Here, we suggest new rational design principles to fine-tune the electron-transfer dynamics at the molecular level to improve the performance of light–energy conversion devices. Intramolecular force ; Chemical physics ; Photovoltaics ; Radiative transfer ; Photoinduced charge separation ; Energy conversion efficiency ; Charge (physics) ; Materials science ; Electron transfer ; Symmetry breaking ; Dielectric ; Covalent bond ; Electron ; Nanotechnology ; Optoelectronics ; Chemistry ; Photochemistry ; Photovoltaic system ; Physics ; Photocatalysis ; Artificial photosynthesis ; Catalysis ; Optics ; Organic chemistry Photochemistry and Electron Transfer Studies ; Organic Light-Emitting Diodes Research ; Organic Electronics and Photovoltaics
Authors: Violet V. Sheffey | Emily B. Siew | Eden E. L. Tanner | Omolola Eniola‐Adefeso
Source: Advanced Healthcare Materials (review, 2022-01-15)
Field: Materials Science — Biomaterials

PLGA's Plight and the Role of Stealth Surface Modification Strategies in Its Use for Intravenous Particulate Drug Delivery Numerous human disorders can benefit from targeted, intravenous (IV) drug delivery. Polymeric nanoparticles have been designed to undergo systemic circulation and deliver their therapeutic cargo to target sites in a controlled manner. Poly(lactic-co-glycolic) acid (PLGA) is a particularly promising biomaterial for designing intravenous drug carriers due to its biocompatibility, biodegradability, and history of clinical success across other routes of administration. Despite these merits, PLGA remains markedly absent in clinically approved IV drug delivery formulations. A prominent factor in PLGA particles' inability to succeed intravenously may lie in the hydrophobic character of the polyester, leading to the adsorption of serum proteins (i.e., opsonization) and a cascade of events that end in their premature clearance from the bloodstream. PEGylation, or surface-attached polyethylene glycol chains, is a common strategy for shielding particles from opsonization. Polyethylene glycol (PEG) continues to be regarded as the ultimate "stealth" solution despite the lack of clinical progress of PEGylated PLGA carriers. This review reflects on some of the reasons for the clinical failure of PLGA, particularly the drawbacks of PEGylation, and highlights alternative surface coatings on PLGA particles. Ultimately, a new approach will be needed to harness the potential of PLGA nanoparticles and allow their widespread clinical adoption. PLGA ; PEGylation ; Drug delivery ; Polyethylene glycol ; Materials science ; Nanotechnology ; Biocompatibility ; Drug ; Polyester ; Pharmacology ; Drug carrier ; Antibody opsonization ; Medicine ; Biomedical engineering ; Nanoparticle ; Chemistry ; Immunology ; Organic chemistry Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Inhalation and Respiratory Drug Delivery
Authors: Syedah Afsheen Zahra | Babak Anasori | Muhammad Z. Iqbal | Florent Ravaux | Mohammednoor Al Tarawneh | Syed Rizwan
Source: APL Materials (article, 2022-06-01)
Field: Materials Science — Materials Chemistry

Enhanced electrochemical performance of vanadium carbide MXene composites for supercapacitors Two-dimensional (2D) surface-terminated layered transition metal carbide MXenes with high electrochemical performance paved the way for robust energy storage supercapacitor devices. However, because of the 2D nature of the MXene flakes, self-restacking of 2D MXene flakes limits the use of all the flake functionalized surfaces in MXene electrodes. Here, we report the synthesis of V2CTx MXene and multiwall carbon nanotube (MWCNT)/V2CTx composites as a promising electrode material for hybrid energy storage devices. Our hybrid electrodes exhibited enhanced electrochemical performance and a gravimetric capacitance of 1842 F g−1 at a scan rate of 2 mV s−1, with a specific charge capacity of 62.5 A h/g. Moreover, the electrodes presented an excellent rate performance, durability, and retention capacity of 94% lasted up to 10 000 cycles. Density functional theory calculations provided electronic and structural properties of the considered MWCNT@V2CTx. Therefore, the introduction of MWCNTs enhanced the conductivity and reaction kinetics of the MXenes and facilitates the charge storage mechanism useful for next-generation smart energy storage devices. MXenes ; Materials science ; Supercapacitor ; Gravimetric analysis ; Electrode ; Carbon nanotube ; Energy storage ; Electrochemistry ; Horizontal scan rate ; Capacitance ; Composite material ; Titanium carbide ; Nanotechnology ; Carbide ; Cyclic voltammetry MXene and MAX Phase Materials ; Supercapacitor Materials and Fabrication ; Advanced Memory and Neural Computing
Authors: Sajjad Ahmad Khan | Imran Ali | Abid Hussain | Hafiz Muhammad Asif Javed | В. А. Турченко | А.В. Труханов | Sergei V. Trukhanov
Source: Magnetochemistry (article, 2022-12-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis and Characterization of Composites with Y-Hexaferrites for Electromagnetic Interference Shielding Applications The current research is focused on the chemical process and characterization of Co-based Y-type hexaferrite, electrochemically active polypyrrole doped with dodecylbenzene sulphonicacid (PPy-DBSA) and their composites. The microemulsion technique was used to produce hexaferrite with the formula Sr2Co2Fe12O22. The resistivity of pure ferrite specimens was 103 ohm-cm, which was lower than the 106 ohm-cm resistivity of the monomer utilized in the polymerization operation. As the temperature increases, the DC resistance decreases, revealing the specimens’ semiconductor nature. The cole-cole plots have been used to assess whether significant grain boundaries were involved in the dielectric relaxation process. By increasing the frequency, the electrochemical performance of all specimens was enhanced. Using the rate equation, ionic conductivity demonstrates that polarons are responsible for conduction. Because of the characteristics of the polymer PPY-conducting DBSA, the composites PPY/DBSA + Sr2Co2Fe12O22 exhibit a higher dielectric loss of 35 at 1 MHz. This specimen is perfect for electrical radiation shielding (EMI).These ferrites are widely used as permanent magnets, in microwave devices, high-density perpendicular media, and rigid disk media without lubricant and protective layers. Materials science ; Composite material ; Electromagnetic shielding ; Dodecylbenzene ; Dielectric ; Electrical resistivity and conductivity ; Polypyrrole ; Conductive polymer ; Nanocomposite ; Ferrite (magnet) ; Dielectric loss ; Polymer ; Polymerization ; Optoelectronics ; Metallurgy Electromagnetic wave absorption materials ; Magnetic Properties and Synthesis of Ferrites ; Advancements in Battery Materials
Authors: Ethan Berger | Zhong‐Peng Lv | Hannu‐Pekka Komsa
Source: Journal of Materials Chemistry C (article, 2022-12-13)
Field: Materials Science — Materials Chemistry

Raman spectra of 2D titanium carbide MXene from machine-learning force field molecular dynamics MXenes are 2D materials with many promising applications, but their Raman spectra is still poorly understood. We developed a computational method to simulate Raman spectra of MXenes accounting for temperature, surface composition, and defects. MXenes ; Raman spectroscopy ; Materials science ; Titanium carbide ; Molecular dynamics ; Force field (fiction) ; Carbide ; Spectral line ; Raman scattering ; Field (mathematics) ; Chemical physics ; Nanotechnology ; Computational chemistry ; Composite material ; Optics ; Computer science ; Chemistry ; Artificial intelligence MXene and MAX Phase Materials ; 2D Materials and Applications ; Advanced Memory and Neural Computing
Authors: Xiaoxi Li | Guang Zeng | Yuchun Li | Hao Zhang | Zhigang Ji | Yingguo Yang | Man Luo | Weida Hu | David Wei Zhang | Hong-Liang Lü
Source: npj Flexible Electronics (article, 2022-06-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

High responsivity and flexible deep-UV phototransistor based on Ta-doped β-Ga2O3 Abstract Deep-ultraviolet (DUV) phototransistors have shown great potential applications in UV imaging, artificial intelligence, and wearable optoelectronics. Among a large number of wide bandgap semiconductors, the quasi-two-dimensional β -Ga 2 O 3 is considered as an ideal candidate for DUV photodetector applications. Herein, we report a high responsivity ( R ) and fully flexible Ta-doped β -Ga 2 O 3 DUV phototransistor which exhibits outstanding optoelectrical properties with a high R of 1.32 × 10 6 A/W, a large detectivity of 5.68 × 10 14 Jones, a great photo-to-dark current ratio of 1.10 × 10 10 %, a high external quantum efficiency of 6.60 × 10 8 %, and an ultra-fast response time of ~3.50 ms. Besides, the flexible Ta-doped β -Ga 2 O 3 device also displays high reliability and mechanical flexibility that can sustain well after over 1 × 10 4 bending cycles. Moreover, high-contrast imaging of UV light was obtained on the flexible DUV detector arrays, which can be efficiently trained and recognized by an artificial neural network. Our findings offer a perspective to develop wearable optoelectronics and UV imaging based on high-performance flexible β -Ga 2 O 3 DUV phototransistors, providing an inspiration for the future work in artificial intelligence and bionic robot fields. Responsivity ; Optoelectronics ; Photodiode ; Materials science ; Photodetector ; Doping ; Ultraviolet ; Dark current ; Optics ; Detector ; Quantum efficiency ; Physics Ga2O3 and related materials ; ZnO doping and properties ; Advanced Photocatalysis Techniques
Authors: Yuxuan Qiu | Cuifang Kuang | Xü Liu | Longhua Tang
Source: Sensors (review, 2022-06-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Single-Molecule Surface-Enhanced Raman Spectroscopy Single-molecule surface-enhanced Raman spectroscopy (SM-SERS) has the potential to detect single molecules in a non-invasive, label-free manner with high-throughput. SM-SERS can detect chemical information of single molecules without statistical averaging and has wide application in chemical analysis, nanoelectronics, biochemical sensing, etc. Recently, a series of unprecedented advances have been realized in science and application by SM-SERS, which has attracted the interest of various fields. In this review, we first elucidate the key concepts of SM-SERS, including enhancement factor (EF), spectral fluctuation, and experimental evidence of single-molecule events. Next, we systematically discuss advanced implementations of SM-SERS, including substrates with ultra-high EF and reproducibility, strategies to improve the probability of molecules being localized in hotspots, and nonmetallic and hybrid substrates. Then, several examples for the application of SM-SERS are proposed, including catalysis, nanoelectronics, and sensing. Finally, we summarize the challenges and future of SM-SERS. We hope this literature review will inspire the interest of researchers in more fields. Nanoelectronics ; Nanotechnology ; Raman spectroscopy ; Molecule ; Surface-enhanced Raman spectroscopy ; Materials science ; Chemistry ; Computer science ; Physics ; Raman scattering ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Biosensors and Analytical Detection
Authors: Andrey E. Krauklis | Christian W. Karl | I.B.C.M. Rocha | Juris Burlakovs | Rūta Ozola-Davidāne | Abedin I. Gagani | Olesja Starkova
Source: Polymers (review, 2022-01-05)
Field: Materials Science — Polymers and Plastics

Modelling of Environmental Ageing of Polymers and Polymer Composites—Modular and Multiscale Methods Service lifetimes of polymers and polymer composites are impacted by environmental ageing. The validation of new composites and their environmental durability involves costly testing programs, thus calling for more affordable and safe alternatives, and modelling is seen as such an alternative. The state-of-the-art models are systematized in this work. The review offers a comprehensive overview of the modular and multiscale modelling approaches. These approaches provide means to predict the environmental ageing and degradation of polymers and polymer composites. Furthermore, the systematization of methods and models presented herein leads to a deeper and reliable understanding of the physical and chemical principles of environmental ageing. As a result, it provides better confidence in the modelling methods for predicting the environmental durability of polymeric materials and fibre-reinforced composites. Durability ; Polymer ; Materials science ; Modular design ; Ageing ; Work (physics) ; Composite material ; Service life ; Computer science ; Biochemical engineering ; Process engineering ; Mechanical engineering ; Engineering Polymer crystallization and properties ; Fiber-reinforced polymer composites ; Composite Material Mechanics
Authors: Laura Darie‐Ion | Danielle Whitham | Madhuri Jayathirtha | Yashveen Rai | Anca-Narcisa Neagu | Costel C. Darie | Brîndușa Alina Petre
Source: Molecules (review, 2022-09-21)
Field: Chemistry — Spectroscopy

Applications of MALDI-MS/MS-Based Proteomics in Biomedical Research Matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS) is one of the most widely used techniques in proteomics to achieve structural identification and characterization of proteins and peptides, including their variety of proteoforms due to post-translational modifications (PTMs) or protein-protein interactions (PPIs). MALDI-MS and MALDI tandem mass spectrometry (MS/MS) have been developed as analytical techniques to study small and large molecules, offering picomole to femtomole sensitivity and enabling the direct analysis of biological samples, such as biofluids, solid tissues, tissue/cell homogenates, and cell culture lysates, with a minimized procedure of sample preparation. In the last decades, structural identification of peptides and proteins achieved by MALDI-MS/MS helped researchers and clinicians to decipher molecular function, biological process, cellular component, and related pathways of the gene products as well as their involvement in pathogenesis of diseases. In this review, we highlight the applications of MALDI ionization source and tandem approaches for MS for analyzing biomedical relevant peptides and proteins. Furthermore, one of the most relevant applications of MALDI-MS/MS is to provide "molecular pictures", which offer in situ information about molecular weight proteins without labeling of potential targets. Histology-directed MALDI-mass spectrometry imaging (MSI) uses MALDI-ToF/ToF or other MALDI tandem mass spectrometers for accurate sequence analysis of peptide biomarkers and biological active compounds directly in tissues, to assure complementary and essential spatial data compared with those obtained by LC-ESI-MS/MS technique. Proteomics ; Mass spectrometry ; Chemistry ; MALDI imaging ; Tandem mass spectrometry ; Computational biology ; Matrix-assisted laser desorption/ionization ; Tandem mass tag ; Mass spectrometry imaging ; Top-down proteomics ; Proteome ; Small molecule ; Sample preparation ; Bottom-up proteomics ; Isobaric labeling ; Protein mass spectrometry ; Quantitative proteomics ; Chromatography ; Biochemistry ; Biology ; Desorption ; Gene Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Molecular Biology Techniques and Applications
Authors: Martín Resano | Maite Aramendía | E. García-Ruiz | Antonio Bazo | Eduardo Bolea‐Fernandez | Frank Vanhaecke
Source: Chemical Science (review, 2022-01-01)
Field: Chemistry — Analytical Chemistry

Living in a transient world: ICP-MS reinvented <i>via</i> time-resolved analysis for monitoring single events After 40 years of development, inductively coupled plasma-mass spectrometry (ICP-MS) can hardly be considered as a novel technique anymore. ICP-MS has become the reference when it comes to multi-element bulk analysis at (ultra)trace levels, as well as to isotope ratio determination for metal(loid)s. However, over the last decade, this technique has managed to uncover an entirely new application field, providing information in a variety of contexts related to the individual analysis of single entities (<i>e.g.</i>, nanoparticles, cells, or micro/nanoplastics), thus addressing new societal challenges. And this profound expansion of its application range becomes even more remarkable when considering that it has been made possible in an <i>a priori</i> simple way: by providing faster data acquisition and developing the corresponding theoretical substrate to relate the time-resolved signals thus obtained with the elemental composition of the target entities. This review presents the underlying concepts behind single event-ICP-MS, which are needed to fully understand its potential, highlighting key areas of application (<i>e.g.</i>, single particle-ICP-MS or single cell-ICP-MS) as well as of future development (<i>e.g.</i>, micro/nanoplastics). Transient (computer programming) ; Key (lock) ; Event (particle physics) ; Transient analysis ; Particle (ecology) ; Computer science ; Nanotechnology ; Computer security ; Materials science ; Engineering ; Physics ; Electrical engineering ; Transient response ; Operating system ; Astrophysics ; Geology Analytical chemistry methods development ; Biosensors and Analytical Detection ; Mass Spectrometry Techniques and Applications
Authors: Tengfei Wang | Cécilia Ménard‐Moyon | Alberto Bianco
Source: Chemical Society Reviews (review, 2022-01-01)
Field: Materials Science — Biomaterials

Self-assembly of amphiphilic amino acid derivatives for biomedical applications Amino acids are one of the simplest biomolecules and they play an essential role in many biological processes. They have been extensively used as building blocks for the synthesis of functional nanomaterials, thanks to their self-assembly capacity. In particular, amphiphilic amino acid derivatives can be designed to enrich the diversity of amino acid-based building blocks, endowing them with specific properties and/or promoting self-assembly through hydrophobic interactions, hydrogen bonding, and/or π-stacking. In this review, we focus on the design of various amphiphilic amino acid derivatives able to self-assemble into different types of nanostructures that were exploited for biomedical applications, thanks to their excellent biocompatibility and biodegradability. Amphiphile ; Supramolecular chemistry ; Nanotechnology ; Nanomaterials ; Chemistry ; Self-assembly ; Combinatorial chemistry ; Materials science ; Organic chemistry ; Molecule ; Copolymer ; Polymer Supramolecular Self-Assembly in Materials ; Nanoplatforms for cancer theranostics ; Supramolecular Chemistry and Complexes