21,593 results match your criteria properties equilibrium


Optimisation of the methodology for obtaining enzymatic protein hydrolysates from an industrial grape seed meal residue.

Food Chem 2021 Sep 8;370:131078. Epub 2021 Sep 8.

Food Colour and Quality Laboratory, Facultad de Farmacia, Universidad de Sevilla, 41012 Sevilla, Spain. Electronic address:

The grape pomace industry produces large quantities of protein-rich seeds, which can be a sustainable non-animal protein source; their techno-functional properties could be exploited to improve the colour stabilisation and modulating the astringency of red wines in warm climates. This study aims to optimise the methodology of obtaining protein hydrolysates from defatted grape seed meal residue. Five assays using different quantities of enzyme and raw materials were considered. Read More

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September 2021

Effect of pectin and attapulgite filler on swelling, network parameters and controlled release of diltiazem hydrochloride from polyacrylic copolymer gel.

Int J Biol Macromol 2021 Sep 15. Epub 2021 Sep 15.

Department of Polymer Science and Technology, University of Calcutta 92, A.P.C. Road, Kolkata 700009, India. Electronic address:

Pectin grafted polyacrylic copolymer hydrogels were made by free radical crosslink copolymerization of acrylic acid (AA) and acrylamide (AM) in an aqueous solution of pectin. N'N-methylene bis acrylamide (MBA) was used as a crosslinker. During the polymerization reaction the attapulgite (APG) filler was also incorporated in situ into the network of the copolymer gel. Read More

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September 2021

Submersed micropatterned structures control active nematic flow, topology, and concentration.

Proc Natl Acad Sci U S A 2021 Sep;118(38)

School of Physics and Astronomy, The University of Edinburgh, Edinburgh EH9 3FD, United Kingdom

Coupling between flows and material properties imbues rheological matter with its wide-ranging applicability, hence the excitement for harnessing the rheology of active fluids for which internal structure and continuous energy injection lead to spontaneous flows and complex, out-of-equilibrium dynamics. We propose and demonstrate a convenient, highly tunable method for controlling flow, topology, and composition within active films. Our approach establishes rheological coupling via the indirect presence of fully submersed micropatterned structures within a thin, underlying oil layer. Read More

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September 2021

Control of single input Hamiltonian systems based on the flatness of their tangent linearization.

ISA Trans 2021 Sep 3. Epub 2021 Sep 3.

Instituto Politécnico Nacional, UPIITA, Av. IPN 2580, Col. Barrio la Laguna Ticomán, Alcaldía Gustavo A. Madero, Mexico City, 07340, Mexico. Electronic address:

We explore the incremental flatness based control of single input under-actuated nonlinear Hamiltonian systems exhibiting a controllable tangent linearization model around a given equilibrium point. General properties of controllable linearized Hamiltonian systems are presented, which significantly ease the stabilizing, or output reference trajectory tracking, feedback controller design for the nonlinear system. Controllability of the tangent linear system is equivalent to its flatness. Read More

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September 2021

Revealing Polymerization Kinetics with Colloidal Dipatch Particles.

Phys Rev Lett 2021 Sep;127(10):108001

Institute of Physics, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, Netherlands.

Limited-valency colloidal particles can self-assemble into polymeric structures analogous to molecules. While their structural equilibrium properties have attracted wide attention, insight into their dynamics has proven challenging. Here, we investigate the polymerization dynamics of semiflexible polymers in 2D by direct observation of assembling divalent particles, bonded by critical Casimir forces. Read More

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September 2021

Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe via Ab initio modelling of interfaces.

Sci Rep 2021 Sep 16;11(1):18482. Epub 2021 Sep 16.

Dipartimento di Ingegneria dell'Informazione, Università di Pisa, Via Girolamo Caruso 16, 56122, Pisa, Italy.

Lateral heterostructures (LH) of monolayer-multilayer regions of the same noble transition metal dichalcogenide, such as platinum diselenide (PtSe), are promising options for the fabrication of efficient two-dimensional field-effect transistors (FETs), by exploiting the dependence of the energy gap on the number of layers and the intrinsically high quality of the heterojunctions. Key for future progress in this direction is understanding the effects of the physics of the lateral interfaces on far-from-equilibrium transport properties. In this work, a multi-scale approach to device simulation, capable to include ab-initio modelling of the interfaces in a computationally efficient way, is presented. Read More

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September 2021

Linear response in the uniformly heated granular gas.

Phys Rev E 2021 Aug;104(2-1):024903

Física Teórica, Universidad de Sevilla, Apartado de Correos 1065, E-41080 Sevilla, Spain.

We analyze the linear response properties of the uniformly heated granular gas. The intensity of the stochastic driving fixes the value of the granular temperature in the nonequilibrium steady state reached by the system. Here, we investigate two specific situations. Read More

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Excess and loss of entropy production for different levels of coarse graining.

Phys Rev E 2021 Aug;104(2-1):024140

Dipartimento di Fisica, Universitá di Roma Sapienza, 00185 Rome, Italy.

We investigate the effect of coarse graining on the thermodynamic properties of a system, focusing on entropy production. As a case of study, we consider a one-dimensional colloidal particle in contact with a thermal bath, moving in a sinusoidal potential and driven out of equilibrium by a small constant force. Different levels of coarse graining are evaluated: At first, we compare the results in the underdamped dynamics with those in the overdamped one (first coarse graining). Read More

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Reprocessing of Covalent Adaptable Polyamide Networks through Internal Catalysis and Ring-Size Effects.

J Am Chem Soc 2021 Sep 15. Epub 2021 Sep 15.

Polymer Chemistry Research Group, Centre of Macromolecular Chemistry (CMaC), Department of Organic and Macromolecular Chemistry, Faculty of Sciences, Ghent University, Krijgslaan 281-S4, Ghent 9000, Belgium.

Here, we report the introduction of internally catalyzed amide bonds to obtain covalent adaptable polyamide networks that rely on the dissociation equilibrium between dicarboxamides and imides. While amide bonds are usually considered to be robust and thermally stable, the present study shows that their dynamic character can be activated by a smart choice of available building blocks without the addition of any external catalyst or other additives. Hence, a range of polyamide-based dynamic networks with variable mechanical and viscoelastic properties have been obtained in a systematic study, using a straightforward curing process of dibasic ester and amine compounds. Read More

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September 2021

Nucleophile-nucleofuge duality of azide and arylthiolate groups in the synthesis of quinazoline and tetrazoloquinazoline derivatives.

Org Biomol Chem 2021 Sep 15;19(35):7706-7723. Epub 2021 Sep 15.

Institute of Technology of Organic Chemistry, Faculty of Materials Science and Applied Chemistry, Riga Technical University, Paula Valdena Str. 3, Riga, LV-1048, Latvia.

5-Arylthio-tetrazolo[1,5-]quinazolines (tautomers of 2-arylthio-4-azido-quinazolines) undergo facile nucleophilic aromatic substitution reactions with amines, alcohols and alkylthiols. This, combined with the recently reported arylsulfanyl group dance, provides straightforward access to 4-azido-2--, -, -substituted quinazolines and/or their tetrazolo tautomers from commercially available 2,4-dichloroquinazoline. The azidoazomethine-tetrazole tautomeric equilibrium and the electron-withdrawing character of the fused tetrazolo system plays a central role in the developed transformations. Read More

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September 2021

Synthesis of zeolite/geopolymer composite for enhanced sequestration of phosphate (PO) and ammonium (NH) ions; equilibrium properties and realistic study.

J Environ Manage 2021 Sep 11;300:113723. Epub 2021 Sep 11.

Geology Department, Faculty of Science, Beni-Suef University, Beni -Suef city, Egypt; Materials Technologies and Their Applications Lab, Geology Department, Faculty of Science, Beni-Suef University, Beni-Suef City, Egypt. Electronic address:

Zeolite impeded geopolymer (Z/G) was synthesized from natural kaolinite and diatomite. The structure (Z/G) was characterized as an enhanced adsorbent for PO and NH ions from aqueous solutions, groundwater, and sewage water. The synthetic Z/G structure exhibits sequestration capacities of 206 mg/g and 140 mg/g for PO and NH, respectively which are higher values than the recognized results for the geopolymer and other adsorbents in literature. Read More

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September 2021

Understanding the Stabilization of a Bulk Nanobubble: A Molecular Dynamics Analysis.

Langmuir 2021 Sep 14. Epub 2021 Sep 14.

School of Aerospace Engineering, Tsinghua University, Beijing 100084, People's Republic of China.

Bulk nanobubbles (NBs) have received considerable attention because of their extensive potential applications, such as in ultrasound imaging and water management. Although multiple types of experimental evidence have supported the existence and stabilization of bulk NBs, the underlying mechanism remains unclear. This study numerically investigates the bulk NB stabilization with molecular dynamics (MD) methods: the all-atom (AA) MD simulation is used for NBs of several nanometers diameter; the coarse-grained (CG) MD simulation is for the NBs of about 100 nm. Read More

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September 2021

Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers.

J Chem Theory Comput 2021 Sep 16;17(9):5538-5555. Epub 2021 Aug 16.

Institute of Physics, Lodz University of Technology, ul. Wolczanska 219, 90-924 Lodz, Poland.

We present a formulation of the multiconfigurational (MC) wave function symmetry-adapted perturbation theory (SAPT). The method is applicable to noncovalent interactions between monomers which require a multiconfigurational description, in particular when the interacting system is strongly correlated or in an electronically excited state. SAPT(MC) is based on one- and two-particle reduced density matrices of the monomers and assumes the single-exchange approximation for the exchange energy contributions. Read More

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September 2021

Selective identification and separation of ReO by biomimetic flexible temperature-sensitive imprinted composite membranes.

Talanta 2021 Dec 8;235:122791. Epub 2021 Aug 8.

State Key Laboratory of Nickel and Cobalt Resources Comprehensive Utilization, Jinchang, 737100, GanSu, China.

A new type of temperature-sensitive imprinted composite membranes(ICMs) was developed. Poly N,N-diethylacrylamide (DEA) blocks, as temperature-sensitive polymer, were grafted onto the substrate of the imprinted polymer separation layer to endow membranes with better adsorption effect. The comprehensive properties of the imprinted composite membranes were adequately tested and evaluated in detail. Read More

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December 2021

A high-throughput screening of metal-organic framework based membranes for biogas upgrading.

Faraday Discuss 2021 Sep 13. Epub 2021 Sep 13.

School of Chemistry, University of Nottingham, Nottingham, NG7 2RD, UK.

Applications of biomethane as a source of renewable energy and transport fuel rely heavily on successful implementation of purification methods capable of removing undesirable impurities from biogas and increasing its calorific content. Metal-organic frameworks (MOFs) are competitive candidates for biogas upgrading due to a versatile range of attractive physical and chemical properties which can be utilised in membrane materials. In this work, we present a high-throughput computational screening methodology for efficient identification of MOF structures with promising gas separation performance. Read More

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September 2021

Enhancement of Phospholipid Binding and Catalytic Efficiency of Phospholipase D by Increasing Hydrophobicity of the Active Site Loop.

J Agric Food Chem 2021 Sep 13. Epub 2021 Sep 13.

School of Food Science and Engineering, South China University of Technology, Guangzhou, Guangdong 510640, People's Republic of China.

The mechanism of active site loops of phospholipase D (PLD) binding to the lipid-water interface for catalytic reactions still remains elusive. A flexible loop (residues 376-382) in the active site of PLD (SkPLD) is conserved within PLDs in most of the species. The residue Ser380 was found to be essential for the enzyme's adsorption to the interface and its substrate recognition. Read More

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September 2021

Endohedral group-14-element clusters [email protected] (TM = Co, Ni, Cu; E = Ge, Sn, Pb) and their low-dimensional nanostructures: a first-principles study.

Phys Chem Chem Phys 2021 Sep 13. Epub 2021 Sep 13.

Ministry of Education Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter, Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic Physics, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.

Endohedral group14-based clusters with the encapsulation of a transition metal, which are termed [[email protected]] (TM = transition metal and E = group-14 elements), have lots of potential applications and have been used as interesting building blocks in materials science. Nevertheless, their electronic structures and stability mechanism remain unclear. In this paper, we systematically study the geometries, electronic structures, and bonding properties of [[email protected]] clusters which are the smallest endohedral group-14-based clusters synthesized so far, by using density functional theory (DFT) calculations. Read More

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September 2021

Atomistic theory of thermally activated magnetization processes in NdFeB permanent magnet.

Sci Technol Adv Mater 2021 6;22(1):658-682. Epub 2021 Sep 6.

Department of Applied Physics, Tohoku University, Sendai, Japan.

To study the temperature dependence of magnetic properties of permanent magnets, methods of treating the thermal fluctuation causing the thermal activation phenomena must be established. To study finite-temperature properties quantitatively, we need atomistic energy information to calculate the canonical distribution. In the present review, we report our recent studies on the thermal properties of the NdFeB magnet and the methods of studying them. Read More

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September 2021

Sulfur-Based Aqueous Batteries: Electrochemistry and Strategies.

J Am Chem Soc 2021 Sep 12. Epub 2021 Sep 12.

Laboratory of Advanced Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, School of Chemistry and Materials, Fudan University, Shanghai 200433, P.R. China.

While research interest in aqueous batteries has surged due to their intrinsic low cost and high safety, the practical application is plagued by the restrictive capacity (less than 600 mAh g) of electrode materials. Sulfur-based aqueous batteries (SABs) feature high theoretical capacity (1672 mAh g), compatible potential, and affordable cost, arousing ever-increasing attention and intense efforts. Nonetheless, the underlying electrochemistry of SABs remains unclear, including complicated thermodynamic evolution and insufficient kinetics metrics. Read More

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September 2021

3D graphene-based adsorbents: Synthesis, proportional analysis and potential applications in oil elimination.

Chemosphere 2021 Sep 1;287(Pt 2):132129. Epub 2021 Sep 1.

Chemical Engineering Department, Universiti Teknologi PETRONAS, 32610, Seri Iskandar, Perak Darul Ridzuan, Malaysia.

The suitability and efficacy of three-dimensional (3D) graphene, including its derivatives, have garnered widespread attention towards the development of novel, sustainable materials with ecological amenability. This is especially relevant towards its utilization as adsorbents of wastewater contaminants, such as heavy metals, dyes, and oil, which could be majorly attributed to its noteworthy physicochemical features, particularly elevated chemical and mechanical robustness, advanced permeability, as well as large specific surface area. In this review, we emphasize on the adsorptive elimination of oil particles from contaminated water. Read More

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September 2021

Linear analysis of Atwood number effects on shear instability in the elastic-plastic solids.

Sci Rep 2021 Sep 10;11(1):18049. Epub 2021 Sep 10.

Institute of Applied Physics and Computational Mathematics, Beijing, 100094, People's Republic of China.

The evolution of shear instability between elastic-plastic solid and ideal fluid which is concerned in oblique impact is studied by developing an approximate linear theoretical model. With the velocities expressed by the velocity potentials from the incompressible and irrotational continuity equations and the pressures obtained by integrating momentum equations with arbitrary densities, the motion equations of the interface amplitude are deduced by considering the continuity of normal velocities and the force equilibrium with the perfectly elastic-plastic properties of solid at interface. The completely analytical formulas of the growth rate and the amplitude evolution are achieved by solving the motion equations. Read More

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September 2021

Local thermodynamics govern formation and dissolution of elegans P granule condensates.

Proc Natl Acad Sci U S A 2021 Sep;118(37)

Division Biological Physics, Max Planck Institute for the Physics of Complex Systems, 01187 Dresden, Germany;

Membraneless compartments, also known as condensates, provide chemically distinct environments and thus spatially organize the cell. A well-studied example of condensates is P granules in the roundworm that play an important role in the development of the germline. P granules are RNA-rich protein condensates that share the key properties of liquid droplets such as a spherical shape, the ability to fuse, and fast diffusion of their molecular components. Read More

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September 2021

Isothiocyanate l-argininato copper(II) complexes - Solution structure, DNA interaction, anticancer and antimicrobial activity.

Chem Biol Interact 2021 Sep 8;348:109636. Epub 2021 Sep 8.

Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383, Wrocław, Poland.

l-argininato copper(II) complexes have been intensively investigated in a variety of diseases due to their therapeutic potential. Here we report the results of comprehensive structural studies (ESI-MS, NIR-VIS-UV, EPR) on the complexes arising in aqueous solutions of two ternary copper(II) complexes with molecular formulas from crystal structures, [Cu(l-Arg)(NCS)](NCS)·HO (1) and [Cu(l-Arg)(NCS)] (2) (l-Arg = l-arginine). Reference systems, the ternary Cu(II)/l-Arg/NCS as well as binary Cu(II)/NCS and Cu(II)/l-Arg, were studied in parallel in aqueous solutions by pH-potentiometric titration, EPR and VIS spectroscopy to characterize stability, structures and speciation of the formed species over the broad pH range. Read More

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September 2021

Voltage-dependent plasticity of spin-polarized conductance in phenyl-based single-molecule magnetic tunnel junctions.

PLoS One 2021 10;16(9):e0257228. Epub 2021 Sep 10.

Department of Physics, University of Guilan, Rasht, Iran.

Synaptic strengths between neurons in brain networks are highly adaptive due to synaptic plasticity. Spike-timing-dependent plasticity (STDP) is a form of synaptic plasticity induced by temporal correlations between the firing activity of neurons. The development of experimental techniques in recent years enabled the realization of brain-inspired neuromorphic devices. Read More

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September 2021

On the yielding of a point-defect-rich model crystal under shear: insights from molecular dynamics simulations.

Soft Matter 2021 Sep 10. Epub 2021 Sep 10.

Institut für Theoretische Physik and Center for Computational Materials Science (CMS), TU Wien, Wiedner Hauptstraße 8-10, A-1040 Wien, Austria.

In real crystals and at finite temperatures point defects are inevitable. Under shear their dynamics severely influence the mechanical properties of these crystals, giving rise to non-linear effects, such as ductility. In an effort to elucidate the complex behavior of crystals under plastic deformation it is crucial to explore and to understand the interplay between the timescale related to the equilibrium point-defect diffusion and the shear-induced timescale. Read More

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September 2021

[Preparation of molecularly imprinted polymers-functionalized silica nanoparticles for the separation and recognition of aristolochic acids].

Se Pu 2021 Oct;39(10):1137-1145

College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular Recognition, Nankai University, Tianjin 300071, China.

Aristolochic acids (AAs), which is commonly found in and plants, has been widely used in several traditional medicine practices due to their anti-inflammatory, anti-malarial, and anti-hyperglycemic activities. Recently, researchers have found a “decisive link” between liver cancer and aristolochic acid after analyzing a large number of liver cancer samples around the world. Therefore, a highly sensitive and selective method is required for the analysis of AAs in traditional Chinese medicines (TCM). Read More

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October 2021

Characterization of Monte Carlo Dynamic/Kinetic Properties of Local Structure in Bond Fluctuation Model of Polymer System.

Materials (Basel) 2021 Aug 31;14(17). Epub 2021 Aug 31.

Department of Theoretical Physics, Wroclaw University of Science and Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw, Poland.

We report the results of the characterization of local Monte Carlo (MC) dynamics of an equilibrium bond fluctuation model polymer matrix (BFM), in time interval typical for MC simulations of non-linear optical phenomena in host-guest systems. The study contributes to the physical picture of the dynamical aspects of characterized previously in the static regime. The polymer dynamics was studied at three temperatures (below, above and close to the glass transition), using time-dependent generalization of the static parameters which characterize local free volume and local mobility of the matrix. Read More

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Design of V-Substituted TiFe-Based Alloy for Target Pressure Range and Easy Activation.

Materials (Basel) 2021 Aug 25;14(17). Epub 2021 Aug 25.

Center for Energy Materials Research, Korea Institute of Science and Technology, Seoul 02792, Korea.

Titanium iron (TiFe) alloy is a room-temperature hydrogen-storage material, and it absorbs hydrogen via a two-step process to form TiFeH and then TiFeH. The effect of V addition in TiFe alloy was recently elucidated. The V substitution for Ti sublattice lowers / ratio, where and are the equilibrium plateau pressure for TiFe/TiFeH and TiFeH/TiFeH, respectively, and thus restricts the two-step hydrogenation within a narrow pressure range. Read More

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Effect of Pore Size Distribution and Amination on Adsorption Capacities of Polymeric Adsorbents.

Molecules 2021 Aug 30;26(17). Epub 2021 Aug 30.

Jiangsu Key Laboratory of Environmental Engineering, Jiangsu Academy of Environmental Sciences, 176# Jiangdong Beilu Road, Nanjing 210036, China.

Polymeric adsorbents with different properties were synthesized via suspension polymerization. Equilibrium and kinetics experiments were then performed to verify the adsorption capacities of the resins for molecules of various sizes. The adsorption of small molecules reached equilibrium more quickly than the adsorption of large molecules. Read More

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Tunable self-assembled Casimir microcavities and polaritons.

Nature 2021 09 8;597(7875):214-219. Epub 2021 Sep 8.

Department of Physics, Chalmers University of Technology, Gothenburg, Sweden.

Spontaneous formation of ordered structures-self-assembly-is ubiquitous in nature and observed on different length scales, ranging from atomic and molecular systems to micrometre-scale objects and living matter. Self-ordering in molecular and biological systems typically involves short-range hydrophobic and van der Waals interactions. Here we introduce an approach to micrometre-scale self-assembly based on the joint action of attractive Casimir and repulsive electrostatic forces arising between charged metallic nanoflakes in an aqueous solution. Read More

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September 2021