jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nayanika Chakraborty | Sona Gandhi | Rajni Verma | Indrajit Roy
Source: Biomedicines (review, 2022-06-10)
Field: Materials Science — Materials Chemistry

Emerging Prospects of Nanozymes for Antibacterial and Anticancer Applications The ability of some nanoparticles to mimic the activity of certain enzymes paves the way for several attractive biomedical applications which bolster the already impressive arsenal of nanomaterials to combat deadly diseases. A key feature of such 'nanozymes' is the duplication of activities of enzymes or classes of enzymes, such as catalase, superoxide dismutase, oxidase, and peroxidase which are known to modulate the oxidative balance of treated cells for facilitating a particular biological process such as cellular apoptosis. Several nanoparticles that include those of metals, metal oxides/sulfides, metal-organic frameworks, carbon-based materials, etc., have shown the ability to behave as one or more of such enzymes. As compared to natural enzymes, these artificial nanozymes are safer, less expensive, and more stable. Moreover, their catalytic activity can be tuned by changing their size, shape, surface properties, etc. In addition, they can also be engineered to demonstrate additional features, such as photoactivated hyperthermia, or be loaded with active agents for multimodal action. Several researchers have explored the nanozyme-mediated oxidative modulation for therapeutic purposes, often in combination with other diagnostic and/or therapeutic modalities, using a single probe. It has been observed that such synergistic action can effectively by-pass the various defense mechanisms adapted by rogue cells such as hypoxia, evasion of immuno-recognition, drug-rejection, etc. The emerging prospects of using several such nanoparticle platforms for the treatment of bacterial infections/diseases and cancer, along with various related challenges and opportunities, are discussed in this review. Nanotechnology ; Chemistry ; Materials science Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Advanced biosensing and bioanalysis techniques
Authors: Liyan Dai | Jinyan Zhao | Jingrui Li | Bohan Chen | Shijie Zhai | Zhongying Xue | Zengfeng Di | Boyuan Feng | Yanxiao Sun | Yunyun Luo | Ming Ma | Jie Zhang | Sunan Ding | Libo Zhao | Zhuangde Jiang | Wenbo Luo | Yi Quan | Jutta Schwarzkopf | Thomas Schroeder | Zuo‐Guang Ye | Ya‐Hong Xie | Wei Ren | Gang Niu
Source: Nature Communications (article, 2022-05-30)
Field: Materials Science — Materials Chemistry

Highly heterogeneous epitaxy of flexoelectric BaTiO3-δ membrane on Ge The integration of complex oxides with a wide spectrum of functionalities on Si, Ge and flexible substrates is highly demanded for functional devices in information technology. We demonstrate the remote epitaxy of BaTiO<sub>3</sub> (BTO) on Ge using a graphene intermediate layer, which forms a prototype of highly heterogeneous epitaxial systems. The Ge surface orientation dictates the outcome of remote epitaxy. Single crystalline epitaxial BTO<sub>3-δ</sub> films were grown on graphene/Ge (011), whereas graphene/Ge (001) led to textured films. The graphene plays an important role in surface passivation. The remote epitaxial deposition of BTO<sub>3-δ</sub> follows the Volmer-Weber growth mode, with the strain being partially relaxed at the very beginning of the growth. Such BTO<sub>3-δ</sub> films can be easily exfoliated and transferred to arbitrary substrates like Si and flexible polyimide. The transferred BTO<sub>3-δ</sub> films possess enhanced flexoelectric properties with a gauge factor of as high as 1127. These results not only expand the understanding of heteroepitaxy, but also open a pathway for the applications of devices based on complex oxides. Epitaxy ; Materials science ; Graphene ; Passivation ; Layer (electronics) ; Optoelectronics ; Nanotechnology ; Deposition (geology) Nonlocal and gradient elasticity in micro/nano structures ; Advanced Materials and Mechanics ; Advanced Sensor and Energy Harvesting Materials
Authors: Jean‐Michel Roger | Alexandre Mallet | Federico Marini
Source: Molecules (review, 2022-10-11)
Field: Chemistry — Analytical Chemistry

Preprocessing NIR Spectra for Aquaphotomics Even though NIR spectroscopy is based on the Beer-Lambert law, which clearly relates the concentration of the absorbing elements with the absorbance, the measured spectra are subject to spurious signals, such as additive and multiplicative effects. The use of NIR spectra, therefore, requires a preprocessing step. This article reviews the main preprocessing methods in the light of aquaphotomics. Simple methods for visualizing the spectra are proposed in order to guide the user in the choice of the best preprocessing. The most common chemometrics preprocessing are presented and illustrated by three real datasets. Some preprocessing aims to produce a spectrum as close as possible to the absorbance that would have been measured under ideal conditions and is very useful for the establishment of an aquagram. Others, dedicated to the improvement of the resolution of the spectra, are very useful for the identification of the peaks. Finally, special attention is given to the problem of reducing multiplicative effects and to the potential pitfalls of some very popular methods in chemometrics. Alternatives proposed in recent papers are presented. Chemometrics ; Preprocessor ; Spurious relationship ; Multiplicative function ; Absorbance ; Standard illuminant ; Computer science ; Spectral line ; Data pre-processing ; Spectroscopy ; Biological system ; Mathematics ; Artificial intelligence ; Chemistry ; Physics ; Chromatography ; Machine learning Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Yun Zhang | Xiaojie Xu
Source: Chemical Physics (article, 2022-03-24)
Field: Materials Science — Materials Chemistry

Modeling oxygen ionic conductivities of ABO3 Perovskites through machine learning Electronegativity ; Ionic bonding ; Oxygen ; Ionic conductivity ; Chemistry ; Oxide ; Chemical physics ; Ion ; Conductivity ; Doping ; Inorganic chemistry ; Materials science ; Physical chemistry ; Optoelectronics ; Electrolyte ; Organic chemistry Machine Learning in Materials Science ; Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides
Authors: Emanuel M. Avrahami | Lothar Houben | Lior Aram | Assaf Gal
Source: Science (article, 2022-04-14)
Field: Materials Science — Biomaterials

Complex morphologies of biogenic crystals emerge from anisotropic growth of symmetry-related facets Directing crystal growth into complex morphologies is challenging, as crystals tend to adopt thermodynamically stable morphologies. However, many organisms form crystals with intricate morphologies, as exemplified by coccoliths, microscopic calcite crystal arrays produced by unicellular algae. The complex morphologies of the coccolith crystals were hypothesized to materialize from numerous crystallographic facets, stabilized by fine-tuned interactions between organic molecules and the growing crystals. Using electron tomography, we examined multiple stages of coccolith development in three dimensions. We found that the crystals express only one set of symmetry-related crystallographic facets, which grow differentially to yield highly anisotropic shapes. Morphological chirality arises from positioning the crystals along specific edges of these same facets. Our findings suggest that growth rate manipulations are sufficient to yield complex crystalline morphologies. Crystal (programming language) ; Crystallography ; Anisotropy ; Coccolith ; Chemical physics ; Crystal growth ; Yield (engineering) ; Calcite ; Materials science ; Biomineralization ; Symmetry (geometry) ; Crystallization ; Chirality (physics) ; Nanotechnology ; Chemistry ; Chemical engineering ; Mineralogy ; Optics ; Chiral symmetry ; Geometry ; Physics ; Composite material ; Carbonate Calcium Carbonate Crystallization and Inhibition ; Paleontology and Stratigraphy of Fossils ; Biocrusts and Microbial Ecology
Authors: Nils Christian Keppler | Karen D. J. Hindricks | Peter Behrens
Source: RSC Advances (article, 2022-01-01)
Field: Chemistry — Inorganic Chemistry

Large refractive index changes in ZIF-8 thin films of optical quality The refractive index (RI) of ZIF-8 thin films with optical quality was determined over the whole visible spectrum. The RI can be fine-tuned over a wide range by loading with different organic guest molecules for various optical applications. Refractive index ; Materials science ; Thin film ; Optoelectronics ; Silicon ; Porosity ; Porous silicon ; Optics ; Nanotechnology ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Gas Sensing Nanomaterials and Sensors
Authors: Mingjun Xuan | Christian Schumacher | Carsten Bolm | Robert Göstl | Andreas Herrmann
Source: Advanced Science (article, 2022-01-20)
Field: Chemistry — Physical and Theoretical Chemistry

The Mechanochemical Synthesis and Activation of Carbon‐Rich <i>π</i>‐Conjugated Materials Mechanochemistry uses mechanical force to break, form, and manipulate chemical bonds to achieve functional transformations and syntheses. Over the last years, many innovative applications of mechanochemistry have been developed. Specifically for the synthesis and activation of carbon-rich π-conjugated materials, mechanochemistry offers reaction pathways that either are inaccessible with other stimuli, such as light and heat, or improve reaction yields, energy consumption, and substrate scope. Therefore, this review summarizes the recent advances in this research field combining the viewpoints of polymer and trituration mechanochemistry. The highlighted mechanochemical transformations include π-conjugated materials as optical force probes, the force-induced release of small dye molecules, and the mechanochemical synthesis of polyacetylene, carbon allotropes, and other π-conjugated materials. Mechanochemistry ; Substrate (aquarium) ; Polymer ; Chemical energy ; Chemical reaction ; Energy transformation Crystallography and molecular interactions ; Force Microscopy Techniques and Applications ; Luminescence and Fluorescent Materials
Authors: Ana M. Díez‐Pascual | Abbas Rahdar
Source: Nanomaterials (review, 2022-03-14)
Field: Materials Science — Surfaces, Coatings and Films

LbL Nano-Assemblies: A Versatile Tool for Biomedical and Healthcare Applications Polyelectrolytes (PEs) have been the aim of many research studies over the past years. PE films are prepared by the simple and versatile layer-by-layer (LbL) approach using alternating assemblies of polymer pairs involving a polyanion and a polycation. The adsorption of the alternating PE multiple layers is driven by different forces (i.e., electrostatic interactions, H-bonding, charge transfer interactions, hydrophobic forces, etc.), which enable an accurate control over the physical properties of the film (i.e., thickness at the nanoscale and morphology). These PE nano-assemblies have a wide range of biomedical and healthcare applications, including drug delivery, protein delivery, tissue engineering, wound healing, and so forth. This review provides a concise overview of the most outstanding research on the design and fabrication of PE nanofilms. Their nanostructures, molecular interactions with biomolecules, and applications in the biomedical field are briefly discussed. Finally, the perspectives of further research directions in the development of LbL nano-assemblies for healthcare and medical applications are highlighted. Nanotechnology ; Polyelectrolyte ; Materials science ; Drug delivery ; Biomolecule ; Nano- ; Polymer ; Nanoscopic scale ; Layer by layer ; Nanostructure ; Fabrication ; Layer (electronics) Polymer Surface Interaction Studies ; Hydrogels: synthesis, properties, applications ; Nanoparticle-Based Drug Delivery
Authors: Lingyao Wang | Nuo Xu | Yongqi Hu | Wanqi Sun | Rajamani Krishna | Jiahao Li | Yunjia Jiang | Simon Duttwyler | Yuanbin Zhang
Source: Nano Research (article, 2022-10-01)
Field: Chemistry — Inorganic Chemistry

Efficient capture of C2H2 from CO2 and CnH4 by a novel fluorinated anion pillared MOF with flexible molecular sieving effect The efficient separation of acetylene (C2H2) from carbon dioxide (CO2) and CnH4 (n = 1 and 2) to manufacture high purity C2H2 and recover other light hydrocarbons is technologically important, while posing significant challenges. Herein, we reported a new TiF62− anion (TIFSIX) pillared metal-organic framework (MOF) ZNU-5 (ZNU = Zhejiang Normal University) with ultramicropores for highly selective C2H2 capture with low adsorption heat through gate opening based molecular sieving effect. ZNU-5 takes up a large amount of C2H2 (128.6 cm3/g) at 1.0 bar and 298 K but excludes CO2, CH4, and C2H4. Such high capacity has never been realized in MOFs with molecular sieving. The breakthrough experiments further confirmed the highly selective C2H2 separation performance from multi-component gas mixtures. 3.3, 2.8, and 2.2 mmol/g of C2H2 is captured at ZNU-5 from equimolar C2H2/CO2, C2H2/CO2/CH4, and C2H2/CO2/CH4/C2H4 mixtures, respectively. Furthermore, 2.6, 2.0, and 1.5 mmol/g of > 98% purity C2H2 can be recycled from the desorption process. Combining high working capacity, low adsorption heat, as well as good recyclability, ZNU-5 is promising for C2H2 purification. Acetylene ; Adsorption ; Desorption ; Chemical engineering ; Chemistry ; Ion ; Bar (unit) ; Metal-organic framework ; Carbon dioxide ; Materials science ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Inorganic Fluorides and Related Compounds ; Membrane Separation and Gas Transport
Authors: Yang Li | Guangze Yang | Lukas Gerstweiler | San H. Thang | Chun‐Xia Zhao
Source: Advanced Functional Materials (article, 2022-12-07)
Field: Materials Science — Biomaterials

Design of Stimuli‐Responsive Peptides and Proteins Abstract Stimuli‐responsive peptides and proteins are an exciting class of smart biomaterials for various applications and have received significant attention over the past decades. A wide variety of stimuli such as temperature, pH, ions, enzymes, magnetic field, redox, etc., are explored. This article provides a review of five intensively studied types of stimuli‐responsive peptides and proteins, their design principles and applications, including temperature‐, pH‐, light‐, metal ion‐, and enzyme‐responsive with an emphasis on the key design concepts and switch function. Moreover, typical examples of their applications are discussed to provide a better understanding of the design concept and underlying methodology. This review will facilitate and inspire future innovation toward new peptide‐ and protein‐based materials and their diverse applications. Nanotechnology ; Materials science ; Function (biology) ; Smart material ; Variety (cybernetics) ; Design elements and principles ; Computer science ; Biology ; Artificial intelligence ; Cell biology ; Software engineering Supramolecular Self-Assembly in Materials ; Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials
Authors: Liangyun Yu | Liangju Sun | Qi Zhang | Yawen Zhou | Jingjing Zhang | Bairen Yang | Baocai Xu | Qin Xu
Source: Biosensors (review, 2022-11-30)
Field: Chemistry — Electrochemistry

Nanomaterials-Based Ion-Imprinted Electrochemical Sensors for Heavy Metal Ions Detection: A Review Heavy metal ions (HMIs) pose a serious threat to the environment and human body because they are toxic and non-biodegradable and widely exist in environmental ecosystems. It is necessary to develop a rapid, sensitive and convenient method for HMIs detection to provide a strong guarantee for ecology and human health. Ion-imprinted electrochemical sensors (IIECSs) based on nanomaterials have been regarded as an excellent technology because of the good selectivity, the advantages of fast detection speed, low cost, and portability. Electrode surfaces modified with nanomaterials can obtain excellent nano-effects, such as size effect, macroscopic quantum tunneling effect and surface effect, which greatly improve its surface area and conductivity, so as to improve the detection sensitivity and reduce the detection limit of the sensor. Hence, the present review focused on the fundamentals and the synthetic strategies of ion-imprinted polymers (IIPs) and IIECSs for HMIs detection, as well as the applications of various nanomaterials as modifiers and sensitizers in the construction of HMIIECSs and the influence on the sensing performance of the fabricated sensors. Finally, the potential challenges and outlook on the future development of the HMIIECSs technology were also highlighted. By means of the points presented in this review, we hope to provide some help in further developing the preparation methods of high-performance HMIIECSs and expanding their potential applications. Nanomaterials ; Nanotechnology ; Software portability ; Materials science ; Computer science Electrochemical Analysis and Applications ; Analytical chemistry methods development ; Analytical Chemistry and Sensors
Authors: Benjamin Peerless | Andreas Schmidt | Yannick J. Franzke | Stefanie Dehnen
Source: Nature Chemistry (article, 2022-12-22)
Field: Chemistry — Inorganic Chemistry

φ-Aromaticity in prismatic {Bi6}-based clusters The occurrence of aromaticity in organic molecules is widely accepted, but its occurrence in purely metallic systems is less widespread. Molecules comprising only metal atoms (M) are known to be able to exhibit aromatic behaviour, sustaining ring currents inside an external magnetic field along M-M connection axes (σ-aromaticity) or above and below the plane (π-aromaticity) for cyclic or cage-type compounds. However, all-metal compounds provide an extension of the electrons' mobility also in other directions. Here, we show that regular {Bi<sub>6</sub>} prisms exhibit a non-localizable molecular orbital of f-type symmetry and generate a strong ring current that leads to a behaviour referred to as φ-aromaticity. The experimentally observed heterometallic cluster [{CpRu}<sub>3</sub>Bi<sub>6</sub>]<sup>-</sup>, based on a regular prismatic {Bi<sub>6</sub>} unit, displays aromatic behaviour; according to quantum chemical calculations, the corresponding hypothetical Bi<sub>6</sub><sup>2-</sup> prism shows a similar behaviour. By contrast, [{(cod)Ir}<sub>3</sub>Bi<sub>6</sub>] features a distorted Bi<sub>6</sub> moiety that inhibits φ-aromaticity. Aromaticity ; Chemistry ; Ring (chemistry) ; Moiety ; Molecule ; Crystallography ; Cluster (spacecraft) ; Antiaromaticity ; Chemical physics ; Computational chemistry ; Molecular physics ; Stereochemistry ; Organic chemistry Synthesis and characterization of novel inorganic/organometallic compounds ; Synthesis and Properties of Aromatic Compounds ; Organometallic Complex Synthesis and Catalysis
Authors: Jun-Jie Zhu | Hemesh Avireddy | Jordi Jacas Biendicho | Luis Martinez-Soria | Daniel Rueda-García | J.R. Morante | Belén Ballesteros | Pedro Gómez‐Romero
Source: Journal of Colloid and Interface Science (article, 2022-05-04)
Field: Materials Science — Materials Chemistry

Rational design of MXene/activated carbon/polyoxometalate triple hybrid electrodes with enhanced capacitance for organic-electrolyte supercapacitors We report a triple hybrid electrode (MXene/activated carbon (AC)/polyoxometalates (POMs)) combining the merits of three materials: MXene (high volumetric capacitance), AC (high gravimetric capacitance) and Phosphotungstate (fast redox). Phosphotungstic acid (HPW12) and tetraethylammonium phosphotungstate (TEAPW12) were the two POMs used to prepare MXene/AC/POMs triple hybrids. MXene/AC/TEAPW12 outperformed MXene/AC/HPW12 in 1 M tetraethylammonium tetrafluoroborate (TEABF4)/acetonitrile. Nano-dispersion of POMs facilitates charge storage through surface capacitive processes (91% at 2 mV s−1). MXene/AC/TEAPW12 delivered significantly higher gravimetric capacitance (87F g−1 at 1 mV s−1) than MXene (40F g−1 at 1 mV s−1) in the same organic electrolyte, without sacrificing much volumetric capacitance (less than 10%). The gravimetric capacitance of the triple hybrid was similar to that of MXene/AC, whereas its volumetric capacitance was 1.5 times higher. Replacing TEA cations with 1-ethyl-3-methylimidazolium cations (EMIM+), the capacitance improved by 21%. Coupled with AC positive electrodes in an asymmetric cell, MXene/AC/TEAPW12 delivered 4.6 times higher gravimetric energy density and 3.5 times higher volumetric energy density than a similar MXene asymmetric cell at relatively high-power densities. This study proves that MXene/AC/TEAPW12 combines the merits and compensates for the demerits of each component and is a promising electrode material for organic-electrolyte supercapacitors. Supercapacitor ; Capacitance ; Gravimetric analysis ; Electrolyte ; Tetraethylammonium ; Electrode ; Chemistry ; Chemical engineering ; Polyoxometalate ; Materials science ; Phosphotungstic acid ; Analytical Chemistry (journal) ; Organic chemistry ; Catalysis ; Physical chemistry MXene and MAX Phase Materials ; Supercapacitor Materials and Fabrication ; Polyoxometalates: Synthesis and Applications
Authors: Sally Bloodworth | Richard J. Whitby
Source: Communications Chemistry (review, 2022-10-08)
Field: Chemistry — Organic Chemistry

Synthesis of endohedral fullerenes by molecular surgery Encapsulation of atoms or small molecules inside fullerenes provides a unique opportunity for study of the confined species in the isolated cavity, and the synthesis of closed C<sub>60</sub> or C<sub>70</sub> fullerenes with enclosed atoms or molecules has recently developed using the method of 'molecular surgery'; in which an open-cage intermediate fullerene is the host for encapsulation of a guest species, before repair of the cage opening. In this work we review the main methods for cage-opening and closure, and the achievements of molecular surgery to date. Fullerene ; Molecule ; Cage ; Chemistry ; Nanotechnology ; Materials science ; Organic chemistry Fullerene Chemistry and Applications ; Boron and Carbon Nanomaterials Research ; Graphene research and applications