Application Point Of View Research Articles

Excited State Dynamics of Geometrical Evolution of α-Substituted Dibenzoylmethanatoboron Difluoride Complex with Aggregation-Induced Emission Property.

Organic molecules with an aggregation-induced emission (AIE) property have been attracting much attention from the viewpoint of application to solid state emissive materials. For the AIE mechanism, quantum mechanical studies proposed the restriction of the intramolecular motion (RIM) model with the contribution of the conical intersection (CI) and deduced the importance of the restricted access to a conical intersection (RACI) in the potential energy surface (PES). Although these theoretical studies have contributed to the elucidation of AIE phenomena, direct detection of the reaction dynamics is indispensable to clarify the actual PES and the deactivation mechanism. Along this line, we investigated excited state dynamics of the AIE molecule with dibenzoylmethanatoboron difluoride complexes using time-resolved absorption spectroscopies in both visible and infrared (IR) regions. While the reference system of 1,3-bis(4-methoxyphenyl)methanatoboron difluoride (2aBF2) showed strong emission in solution, the methyl-substituted derivative at the α-position of the dioxaborine ring (2amBF2) led to the very weak fluorescence in solution but strong emission in the solid state. Time-resolved visible absorption measurements revealed a peak shift and broadening of the stimulated emission in the solution of 2amBF2, owing to the rapid change of the molecular geometry. With the temporal evolution of time-resolved IR absorption signals and density functional theory (DFT) calculation of these systems, it was deduced that 2amBF2 has two stable geometries, namely, planar and bending, in the S1 state and the bending geometry in the S1 state led to rapid conversion to the S0 state. These results support the RACI model in the aggregated states, leading to the AIE properties.

Recent Advances in NIR-Switchable Multi-Redox Systems Based on Organic Molecules.

In recent years, near-infrared (NIR) dyes, exhibiting absorption in the NIR region (750-2500 nm), have been applied to various optical applications such as security marking, photovoltaic cells and chemotherapy of deep tissues in vivo. Electrochromic systems capable of switching NIR absorption are attractive from the viewpoint of applications for material and life science, and thus several examples have been reported to date. The development of organic-based materials is needed to reduce the environmental impact and improve biocompatibility, however, the switching of NIR absorption based on redox interconversion is still a challenging issue regarding reversibility and durability during interconversion. To overcome this potential instability, several studies on organic electrochromic systems that allow ON/OFF switching of NIR absorption have been developed in recent years. In this review, we focus on redox-active well-defined small molecules that enable ON/OFF switching of NIR absorption, and present recent studies on their intrinsic electrochemical and spectroscopic properties and/or structural characterization of their charged states. We also address more sophisticated electrochromic systems that can modulate their properties in response to external stimuli such as light, heat, and electric potential.

Electrochemical Impedance Spectroscopy Study of Ceria- and Zirconia-Based Solid Electrolytes for Application Purposes in Fuel Cells and Gas Sensors.

In this study, the structural and electrochemical properties of commercial powders of the nominal compositions Ce0.8Gd0.2O1.9, Sc0.1Ce0.01Zr0.89O1.95, and Sc0.09Yb0.01Zr0.9O1.95 were investigated. The materials are prospective candidates to be used in electrochemical devices, i.e., gas sensors and fuel cells. Based on a comparison of the EIS spectra in different atmospheres (synthetic air, 3000 ppm NH3 in argon, 10% H2 in argon), the reactions on the three-phase boundaries were proposed, as well as the conduction mechanisms of the electrolytes were described. The Ce0.8Gd0.2O1.9 material is a mixed ionic-electronic conductor, which makes it suitable for anode material in fuel cells. Moreover, it exhibits an apparent and reversible response for ammonia, indicating the possibility of usage as an NH3 gas-sensing element. In zirconia-based materials, electrical conduction is realized by oxygen ion carriers. Among them, the most promising from an applicative point of view seems to be Sc0.09Yb0.01Zr0.9O1.95, showing a high, reversible reaction with hydrogen.

Application-Level Evaluation of IEEE 802.1AS Synchronized Time and Linux for Distributed Real-Time Systems

The use of Ethernet and Linux is becoming common in industrial applications, even for those with real-time requirements, although neither of them were originally designed for this purpose. The emergence of Industry 4.0 (also known as Industrial Internet of Things, IIoT) has encouraged the evolution of these technologies to better handle real-time issues. On the one hand, Linux now supports mechanisms to configure certain real-time parameters, as well as core isolation and interrupt allocation facilities in multicore processors. On the other hand, the set of Ethernet standards IEEE 802.1 Time-Sensitive Networking (TSN) includes a high precision clock synchronization protocol (IEEE 802.1AS). The purpose of this work is to outline an execution framework for distributed systems based on TSN and Linux, which allows the execution of time-aware applications. We have studied and evaluated different configurations available for the proposed execution framework. In particular, a detailed characterization of the clock synchronization mechanism, from the application point of view, has been performed. Some conclusions about the current real-time capabilities of these technologies are also presented.

Recent Progress in Liquid Electrolytes for High‐Energy Lithium–Metal Batteries: From Molecular Engineering to Applications

AbstractLithium–metal batteries (LMBs) have garnered significant interests for their promising high gravimetric energy density (Eg) ∼ 750 Wh kg−1. However, the practical application of the LMBs is plagued by the high reactivity and large volume change during charging–discharging of the lithium–metal anode (LMA), seriously deteriorating the battery safety and cycle life. Great efforts have been devoted to tailoring the electrolytes to favor the Li–metal electroplating by uniformizing the deposition morphology and by suppressing the side reactions between electrolytes and LMA. The aggressive chemistries of both the LMA and its high‐voltage counterpart give new electrolyte components more opportunities, especially designing via molecular engineering. Here, a comprehensive and in‐depth overview of the scientific challenges, fundamental mechanisms, and particularly historical strategies of designing new molecules for electrolyte components including solvents, salts, and additives. Their important roles in tuning the Li+ solvation structure, interface composition, decomposition pathways, and the resultant electrochemical performance of LMBs are also presented. Finally, novel insights and promising research directions from the practical application viewpoints are proposed for future electrolyte designs for high‐voltage LMBs.

Oblique Wave Scattering by a Pair of Asymmetric Inverse Π-Shaped Breakwater

Abstract The topic of wave scattering by different breakwaters has unfolded over the past few decades, largely driven by the profound impacts of global climate change. In this study, a completely new type of breakwater, inverse Π-shaped breakwater, has been taken into account for serving both purposes from analytical as well as an application point of view. During the formulation, the actual physical problem is transferred into a boundary value problem by employing the small amplitude water wave theory. With the aid of eigenfunction expansion, the problem is reduced to a set of integral equations having square-root singularities at the submerged edges of thin structures. To address such singularities, a multi-term Galerkin approximation technique is used along with Chebyshev polynomials (multiplied with suitable weights) as basis functions. The numerical methodology employed here validates with different previous literatures as special cases. Then, numerical solutions of the reflection and transmission coefficients, hydrodynamic forces are graphically illustrated across various dimensionless structural parameters. In summary, the present paper offers valuable insights into the dynamics of wave scattering by a pair of asymmetric inverse bottom-mounted Π-shaped breakwater, emphasizing the role of different non-dimensional parameters in this system.

Three-dimensional stagnation point motion of bioconvection nanofluid via moving stretching sheet with convective and anisotropic slip condition

The current article deals with the SM of a NFs on a 3D moving surface containing bioconvection, microorganisms, and convective conditions over anisotropic slip. This work reports describes the characteristics of bioconvection aspects of nanofluid containing microorganisms with anisotropic slip condition. The study may be important from the application point of view in microfluidic devices, antibiotics, enhanced oil recovery and many other areas. Applying the similarity variables, the basic gov. Eqs are translated to ordinary ones, and such Eqs are calculate by R-K-F fourth order programming with shooting scheme by MATLAB software. The physical parameters on the moving surface are explained in detail via graphs. We found that the temperature increases with a higher revolution and larger numerical numbers (convection parameter), while the HTR declined for various values of the SFP. The HTR enhances with surface convection, and therefore, the convection condition is helpful in reducing the viscous drag on the moving SS.

Key Issues and Application Prospects in High-Temperature Plasma Physics

High-temperature plasma physics is the core area of research into nuclear fusion energy, and it also has broad application potential in industry and astrophysics. The paper systematically reviews the fundamental definition, the formation mechanism, and research history of high-temperature plasma; analyzes focal problems including energy confinement, plasma instability, radiation cooling, material tolerance, turbulent dynamics; and discusses the technical progress and challenges of magnetic confinement and inertial confinement experimental devices. The comparison of tokamak against laser inertial confinement gives further illustration of the pros and disadvantages of the two fusion routes. Nuclear fusion energy, from an application viewpoint, represents a very ideal energy source for future sustainable development, and high-temperature plasma technology is also very promising in industrial processing, astrophysical experiments, and other fields. In conjunction with relevant recent research, suggestions are also given in this paper regarding high-temperature plasma in the future development direction. All this is done as an effort to offer reference and guidance for future developments in that field.

Why should a bioengineering lab have engineers and health professionals?

Through the description of the methodology of the development of a bite force measurement device it will be shown how interdisciplinary work of Engineers and Health Professionals bring enhance of life quality to general population. Bite force measurement is a reliable exam to check stomatognathic system (SS) conditions. In order to provide a reliable, low cost and do-it-yourself gnathodynamometer a Dentist joined Bioengineering Laboratory (LabBio) at UFMG. The development of a 3D printed resin structure was made using CAD/CAM and tested by means of FEM. A Carbon Nano Tube (CNT) extensometer developed at CTNANO at UFMG to capture the structure deformation were fixed in two geometries that showed good results in FEM simulation and will be tested in an EMIC universal mechanical testing machine (DL1000) equipped with a 1 kN load cell. The electrical response of the extensometers was monitored using a Keithley 2000 digital multimeter (Tektronix), connected to a computer and remotely controlled by a LabView application (View Point Systems), a data storage protocol in a SD card and in the clouds using IoT and an data acquisition system will be tested. In bench tests both geometries showed good results with deformation capturable from 40 N. Data was codified using an Arduino Nano and a program was developed for data acquisition and storage. The interdisciplinary work generates prototypes with promising results in bench tests. The fruit of the team work may generate a toll that improves life quality of population by allowing more people to be tested and lowering health costs.

Magnetic tunnel junction based on bilayer LaI2 as perfect spin filter device

The discovery of van der Waals intrinsic magnets has expanded the possibilities of realizing spintronics devices. We investigate the transmission, tunneling magnetoresistance ratio, and spin injection efficiency of bilayer LaI2 using a combination of first-principles calculations and the non-equilibrium Green’s function method. Multilayer graphene electrodes are employed to build a magnetic tunnel junction with bilayer LaI2 as ferromagnetic barrier. The magnetic tunnel junction turns out to be a perfect spin filter device with an outstanding tunneling magnetoresistance ratio of 653% under a bias of 0.1 V and a still excellent performance in a wide bias range. In combination with the obtained high spin injection efficiency this opens up great potential from the application point of view.

Comparative Studies of the Properties of Copper Components: Conventional vs. Additive Manufacturing Technologies

This article presents a comparative analysis of the crucial physical properties of electrically conductive components made of pure copper, produced by various additive manufacturing technologies such as binder jetting (BJ) and direct metal laser sintering (DMLS). The comparison concerned the assessment of critical parameters important from the application point of view, such as: electrical conductivity, hardness, yield point, microstructure and the occurrence of internal material defects. Same-sized components made in a conventional casting and subtractive method (machining) were used as a reference material. Comprehensive tests and the comparison of a wide range of parameters allowed us to determine that among the selected methods, printing using the DMLS technique allowed for obtaining arcing contact with mechanical and electrical parameters very similar to the reference element. Therefore, the obtained results showed the possibility of using the copper elements made by additive manufacturing for the switching and protection devices used in electrification and energy distribution industrial sectors.

Two Perovskite Modifications of BiFe0.6Mn0.4O3 Prepared by High-Pressure and Post-Synthesis Annealing at Ambient Pressure

BiFeO3-related perovskite-type materials attract a lot of attention from the viewpoint of applications and fundamental science. In this work, we prepared two modifications of heavily Mn-doped BiFeO3 with the composition of BiFe0.6Mn0.4O3. A high-pressure (HP) modification was prepared at about 6 GPa and 1400 K. An ambient pressure (AP) modification was prepared by heating the HP modification at 780 K in the air at AP (post-synthesis annealing). Crystal structures of both modifications and in situ transformation were investigated with synchrotron powder X-ray diffraction. The transformation started at about 700 K and finished at about 780 K. The HP modification crystallized in space group Pnma with a = 5.57956 Å, b = 15.70576 Å, and c = 11.22557 Å, and the AP modification crystallized in space group Pbam with a = 5.63839 Å, b = 11.2710 Å, and c = 7.75923 Å (all parameters were at room temperature). Post-synthesis annealing of the HP modification (conversion polymorphism) is the only way to prepare the Pbam modification of oxygen stoichiometric BiFe0.6Mn0.4O3. Magnetic properties of both modifications have been reported. The Néel temperatures are TN = 350 K (HP) and TN = 335 K (AP). HP modification shows larger spin canting. Both modifications show negative magnetization phenomena at low temperatures in low magnetic fields.

Scalable, Flexible, Magnetic-Field-Guided rULGO Sponge-BN-Cobalt Oxide-Based Supercapacitors: Mechanistic Insights into Multiple Charge Transfer Pathways by the Distribution of Relaxation Times.

Scalable and flexible supercapacitors are in high demand from an application point of view. Through our exploration, we have attained promising performance of electrochemical energy storage under the influence of an external magnetic field for future energy-based applications. In this work, a commercial sponge is used as a template for ultra-large graphene oxide (rULGO) functionalization, followed by the incorporation of Co3O4:BN without the inclusion of binders or conductive additives. The fabricated electrodes, namely, SPG-rULGO and SPG-rULGO-Co3O4:BN, demonstrate superior performance with a potential window of 2.2 V at a magnetic field strength of 13.5 and 28 mT, respectively. A specific capacitance of 218 ± 5% F·g-1 and 312 ± 5% F·g-1, respectively, with retention rates of 80 and 88% over 5000 charge-discharge cycles are achieved. In contrast to the conventional fabrication of the asymmetric device, both electrodes are made using flexible substrates with SPG-rULGO-Co3O4:BN as the positive electrode and SPG-rULGO as the negative electrode eliminating the need to use activated carbon. This configuration yields a specific capacitance of 153 ± 5% F·g-1 at 1 Ag-1, leading to a high energy density of 103 ± 5% W·h·kg-1 at a power density of 1.10 ± 5% kW kg-1 with an 85% retention rate. The charge-discharge mechanism of bare and modified electrodes is probed by the distribution of relaxation time analysis of the coupled electrochemical impedance spectra. The integration of magnetic field with advanced electrode materials opens up other possibilities for optimizing energy storage systems and advancing the field of flexible and mechanically robust supercapacitors.

Effects of K excess in microstructure of (Ba0.6K0.4)Fe2As2 superconducting powders

Abstract Iron-based superconductors (IBSs) are promising for high-field applications due to their exceptional characteristics, like ultrahigh upper critical field and minimal electromagnetic anisotropy. Creating multifilamentary superconducting wires with elevated transport critical current density is essential for practical use. The Powder in Tube (PIT) technique is commonly used for this purpose, but achieving optimal results requires careful exploration of powder microstructural properties. This is particularly crucial for superconductors like (Ba,K)122, the IBS most promising from an applicative point of view, where factors such as reactivity, volatility, and toxicity of constituent elements affect phase formation. Potassium volatility often leads to nonstoichiometric conditions, introducing excess potassium in the formulation. This study focuses on the impact of potassium excess δ on the microstructural properties of the ‘optimally doped’ (Ba0.6K0.4+δ )Fe2As2 phase (0 ⩽ δ ⩽ 0.08). Using techniques like Scanning Electron Microscopy, x-ray diffraction, and temperature-dependent magnetization measurements, we demonstrate the ability to produce nearly pure powders of the superconducting phase with controlled grain size. Our findings are relevant for PIT wire fabrication, where grain size strongly affects mechanical deformation. Grain size also influences transport properties, as observed in previous studies, where reducing grain size enhanced current-carrying capability at high magnetic fields.

Investigation of the impacts of several diols on the phase behavior and physico-chemical quantities associated with the Triton X-100 and antidiabetic drug mixture

Drug-surfactant interaction phenomena have received popularity in the pharmaceutical industry and technological sectors from the view point of wider applications. Herein, we aimed to investigate the clouding behavior and various thermodynamic properties of Triton X-100 (TX-100) and metformin hydrochloride drug (MNH; an antidiabetic drug) mixture in the attendance of diols followed by the cloud point measurement technique. The dosage form of metformin hydrochloride drug controls the glucose level in the blood. The different types of diols, i.e., ethylene glycol (EG), 1,2-propylene glycol (1,2-PrG), 2,3-butanediol (2,3-BD), and 1,5-pentanediol (1,5-PD) were uniformly used in this inspection. The effect of diols, with the variation of their concentrations on the clouding behavior of TX-100 + MNH mixture having fixed content of TX-100 (92.7 mmol kg−1) and MNH drug (2 mmol kg−1), were examined. The most enhanced CP value was experienced in the aqueous 1,5-PD medium, whereas the lowest CP value was observed in the aqueous EG medium. The CP values were recorded for the working system under the effect of changing concentrations of diols, which were observed to follow the sequential order: CPH2O+1,5−PD>CPH2O+2,3−BD>CPH2O+1,2−PrG>CPH2O+EG. The clouding progression of the working system was realized to be nonspontaneous as concluded from the positive free energy change (ΔGco) values. The positive and negative values of enthalpy (ΔHco) and entropy (ΔSco) change were documented, respectively, at the low and high concentrations of diols. The hydrophobic interactions amongst different components are predominant at the low concentrations of diols, whereas the electrostatic interactions are leading factors at the high concentrations of diols. Enthalpy-entropy compensation parameters were computed and interpreted with proper perceptive. The outcomes of this observation may be effective and helpful in the various industrial sectors, especially in the drug carrier system in the pharmaceutical arena.

Plasmid DNA Complexes in Powder Form Studied by Spectroscopic and Diffraction Methods.

Currently, new functional materials are being created with a strong emphasis on their ecological aspect. Materials and devices based on DNA biopolymers, being environmentally friendly, are therefore very interesting from the point of view of applications. In this paper, we present the results of research on complexes in the powder form based on plasmid DNA (pDNA) and three surfactants with aliphatic chains containing 16 carbon atoms (cetyltrimethylammonium chloride, benzyldimethylhexadecylammonium chloride and hexadecylpyridinium chloride). The X-ray diffraction results indicate a local hexagonal packing of DNA helices in plasmid DNA complexes, resembling the packing for corresponding complexes based on linear DNA. Based on the Fourier-transform infrared spectroscopy results, the DNA conformation in all three complexes was determined as predominantly of A-type. The two relaxation processes revealed by dielectric spectroscopy for all the studied complexes are connected with two different contributions to total conductivity (crystallite part and grain boundaries). The crystallite part (grain interior) was interpreted as an oscillation of the polar surfactant head groups and is dependent on the conformation of the surfactant chain. The influence of the DNA type on the properties of the complexes is discussed, taking into account our previous results for complexes based on linear DNA. We showed that the type of DNA has an impact on the properties of the complexes, which has not been demonstrated so far. It was also found that the layer of pDNA-surfactant complexes can be used as a layer with variable specific electric conductivity by selecting the frequency, which is interesting from an application point of view.

Enhanced mechanical and thermophysical properties of Mg2Ca, Al2Ca, and Al4Ca bulk metallic glasses in comparison to crystalline alloys for bone grafting applications: A molecular dynamics investigation

We investigate the glassy-state properties of Mg2Ca, Al2Ca, and Al4Ca from the grafting application viewpoint. We employed classical molecular dynamics to examine the phase transition, structural, thermodynamic, transport, and mechanical properties in the amorphous state. All properties suggest successful simulations of the glass phase at and below the glass transition temperature, ranging between 550 and 689 K for Mg2Ca, Al2Ca, and Al4Ca. Computed results are compared and discussed with the reported findings and known mechanical and thermal properties of the various parts of the human bones and biocomposites. The comparison establishes that the mechanical, thermal, and transport properties significantly improve in the glass phase compared to its crystalline alloy form. At 300 K, studied glasses have densities in close agreement with human bone density. Structural analysis and heat capacity show the second-order phase transition, verifying the formation of the glass structure. The targeted glasses exhibit excellent thermal conductivity and thermal diffusivity compared to other commonly used biocomposites for bone grafting. Furthermore, the simulated elastic properties, viz., the Poisson ratio, G/B ratio, Cauchy's pressure, and yield strength, are in close agreement with the mechanical properties of various parts of human bone. The predicted ductility nature, contrary to the brittle character of Mg2Ca, Al2Ca, and Al4Ca crystalline alloys, proves the superiority of the glassy form for the implant's functioning. The minimum enthalpy of formation and thermodynamic stability of studied compounds benefit the synthesis process; hence, we propose that the studied glasses are persuasive materials for experimental synthesis aimed at bone grating applications.

Surface Engineering of Two-Dimensional Black Phosphorus for Advanced Nanophotonics.

ConspectusEverything in the world has two sides. We should correctly understand its two sides to pursue the positive side and get rid of the negative side. Recently, two-dimensional (2D) black phosphorus (BP) has received a tremendous amount of attention and has been applied for broad applications in optoelectronics, transistors, logic devices, and biomedicines due to its intrinsic properties, e.g., thickness-dependent bandgap, high mobility, highly anisotropic charge transport, and excellent biodegradability and biocompatibility. On one hand, rapid degradation of 2D BP under ambient conditions becomes a vital bottleneck that largely hampers its practical applications in optical and optoelectronic devices and photocatalysis. On the other hand, just because of its ambient instability, 2D BP as a novel kind of nanomedicine in a cancer drug delivery system can not only satisfy effective cancer therapy but also enable its safe biodegradation in vivo. Until now, a variety of surface functionality types and approaches have been employed to rationally modify 2D BP to meet the growing requirements of advanced nanophotonics.In this Account, we describe our research on surface engineering of 2D BP in two opposite ways: (i) stabilizing 2D BP by various approaches for advanced nanophotonic devices with both remarkable photoresponse behavior and environmentally structural stability and (ii) making full use of biodegradation, biocompatibility, and biological activity (e.g., photothermal therapy, photodynamic therapy, and bioimaging) of 2D BP for the construction of high-performance delivery nanoplatforms for biophotonic applications. We highlight the targeted aims of the surface-engineered 2D BP for advanced nanophotonics, including photonic devices (optics, optoelectronics, and photocatalysis) and photoinduced cancer therapy, by means of various surface functionalities, such as heteroatom incorporation, polymer functionalization, coating, heterostructure design, etc. From the viewpoint of potential applications, the fundamental properties of surface-engineered 2D BP and recent advances in surface-engineered 2D BP-based nanophotonic devices are briefly discussed. For the photonic devices, surface-engineered 2D BP can not only effectively improve environmentally structural stability but also simultaneously maintain photoresponse performance, enabling 2D BP-based devices for a wide range of practical applications. In terms of the photoinduced cancer therapy, surface-engineered 2D BP is more appropriate for the treatment of cancer due to negligible toxicity and excellent biodegradation and biocompatibility. We also provide our perspectives on future opportunities and challenges in this important and fast-growing field. It is envisioned that this Account can attract more attention in this area and inspire more scientists in a variety of research communities to accelerate the development of 2D BP for more widespread high-performance nanophotonic applications.

Recent advances in electric field-controlled magnetism using perovskite multiferroic heterostructures for spintronics applications

This review article presents the recent advances in electric field-controlled magnetism using multiferroic heterostructures. Electric field-manipulated spin magnetic moments are important from both basic science and application points of view. Multiferroic materials, where ferroelectricity and magnetic orderings coexist, offer exciting and novel prospects of electric control of magnetic properties. Electric field control of magnetism is essential to developing energy-efficient and versatile spintronic devices that can revolutionize data storage, magnetic sensing, and many other applications. Thus, we will review recent progress in electric field control of magnetism in multiferroic heterostructures and its advanced characterization to identify potential applications, remaining challenges, and future prospects. Through this review, we hope the reader will gain knowledge on the recent advances in electric field-controlled magnetism and its challenges that can lead to the practical realization of new generation devices in the future.

Accurate NMR Shieldings with σ-Functionals.

In recent years, density-functional methods relying on a new type of fifth-rung correlation functionals called σ-functionals have been introduced. σ-Functionals are technically closely related to the random phase approximation and require the same computational effort but yield distinctively higher accuracies for reaction and transition state energies of main group chemistry and even outperform double-hybrid functionals for these energies. In this work, we systematically investigate how accurate σ-functionals can describe nuclear magnetic resonance (NMR) shieldings. It turns out that σ-functionals yield very accurate NMR shieldings, even though in their optimization, exclusively, energies are employed as reference data and response properties such as NMR shieldings are not involved at all. This shows that σ-functionals combine universal applicability with accuracy. Indeed, the NMR shieldings from a σ-functional using input orbitals and eigenvalues from Kohn-Sham calculations with the exchange-correlation functional of Perdew, Burke and Ernzerhof (PBE) turned out to be the most accurate ones among the NMR shieldings calculated with various density-functional methods including methods using double-hybrid functionals. That σ-functionals can be used for calculating both reliable energies and response properties like NMR shieldings characterizes them as all-purpose functionals, which is appealing from an application point of view.