We investigate the electronic and magnetic properties of CnNm(C6N6, C2N, C3N and C3N4) using density functional tight-binding (DFTB) method. We find that these compounds are dynamically stable and their electronic band gaps are in the range of 0.59-3.28 eV. We show that the electronic structure is modulated by strain and the semiconducting behavior is well preserved except for C3N at +5% biaxial strain, where a transition from semiconductor to metal was observed. Under +3% biaxial strain, C3N4undergoes a transition from an indirect (K-Γ) to a direct (Γ-Γ) band gap. Moreover, band gap of C2N transforms from direct (Γ-Γ) to indirect (M-Γ) under +4% biaxial strain. However, no change in the nature of the band gap of C6N6. Further, when the studied materials under uniaxial tensile strain, their bandgaps reduce. Our theoretical study showed that an indirect-to-direct nature transition may occur for C6N6and for C3N4, which broadens their applications. On the other hand, magnetism is observed in all N-vacancy defected CnNm, which encourages its application in spintronic. Moreover, calculations of formation energies indicate that N-vacancy is energetically more favorable than C-vacancy in both C2N and C3N4. Opposite behavior found for C6N6and C3N.

• Keywords
• 2D material, DFTB method, carbon nitride, electronic and magnetic properties, strain, vacancy defects,
• Publication type
• Journal Article MeSH

The aim of the current research was to develop a simple and rapid mass spectrometry-based assay for the determination of 15 steroid hormones in human plasma in a single run, which would be suitable for a routine practice setting. For this purpose, we designed a procedure based on the 2D-liquid chromatography-tandem mass spectrometry with a minimalistic sample pre-treatment. In our arrangement, the preparation of one sample takes only 10 min and can accommodate 40 samples per hour when tested in series. The following analytical run is 18 min long for all steroid hormones. In addition, we developed an independent analytical run for estradiol, significantly increasing the assay accuracy while taking an additional 10 min to perform an analytical run of a sample. The optimized method was applied to a set of human plasma samples, including chylous. Our results indicate the linearity of the method for all steroid hormones with squared regression coefficients R2 ≥ 0.995, within-run and between-run precision (RSD < 6.4%), and an accuracy of 92.9% to 106.2%. The absolute recovery for each analyzed steroid hormone ranged between 101.6% and 116.5%. The method detection limit for 15 steroid hormones ranged between 0.008 nmol/L (2.88 pg/mL) for aldosterone and 0.873 nmol/L (0.252 ng/mL) for DHEA. For all the analytes, the lowest calibration point relative standard deviation was less than 10.8%, indicating a good precision of the assay within the lowest concentration of interest. In conclusion, in this method article, we describe a simple, sensitive, and cost-effective 2D-LC/MS/MS method suitable for the routine analysis of a complex of steroid hormones allowing high analytical specificity and sensitivity despite minimal sample processing and short throughput times.

• Keywords
• 2D-LC/MS/MS, QuEChERS method, multiplexed analysis of steroid hormones, two dimensional-liquid chromatography with tandem mass spectrometry,
• MeSH
• Chromatography, Liquid methods   MeSH
• Estradiol MeSH
• Plasma chemistry   MeSH
• Humans MeSH
• Reproducibility of Results MeSH
• Steroids * analysis   MeSH
• Tandem Mass Spectrometry * methods   MeSH
• Check Tag
• Humans MeSH
• Publication type
• Journal Article MeSH
• Names of Substances
• Estradiol MeSH
• Steroids * MeSH

Nitrotyrosine formation is caused by presence of reactive oxygen and nitrogen species. Nitration is a very selective process leading to specific modification of only a few tyrosines in protein molecule. 2D electrophoresis and western blotting techniques coupled with mass spectrometry are common methods used in analysis of proteome. Here we describe protocol for analysis of peroxynitrite-induced protein nitration in isolated mitochondria. Mitochondrial proteins are separated by 2D electrophoresis and transferred to nitrocellulose membrane. Membranes are then incubated with antibodies against nitrotyrosine. Positive spots are compared with corresponding Coomassie-stained gels, and protein nitration is confirmed with mass spectrometry techniques.

• Keywords
• 2D electrophoresis, Immunoblotting, Mass spectrometry, Mitochondria, Nitrotyrosine,
• MeSH
• Electrophoresis, Gel, Two-Dimensional methods   MeSH
• Mass Spectrometry methods   MeSH
• Immunoblotting methods   MeSH
• Peroxynitrous Acid chemistry   MeSH
• Mitochondrial Proteins analysis   metabolism   MeSH
• Cattle MeSH
• Mitochondria, Heart chemistry   metabolism   MeSH
• Tyrosine analogs & derivatives   analysis   metabolism   MeSH
• Animals MeSH
• Check Tag
• Cattle MeSH
• Animals MeSH
• Publication type
• Journal Article MeSH
• Research Support, Non-U.S. Gov't MeSH
• Names of Substances
• 3-nitrotyrosine MeSH Browser
• Peroxynitrous Acid MeSH
• Mitochondrial Proteins MeSH
• Tyrosine MeSH

2D oxide nanomaterials constitute a broad range of materials, with a wide array of current and potential applications, particularly in the fields of energy storage and catalysis for sustainable energy production. Despite the many similarities in structure, composition, and synthetic methods and uses, the current literature on layered oxides is diverse and disconnected. A number of reviews can be found in the literature, but they are mostly focused on one of the particular subclasses of 2D oxides. This review attempts to bridge the knowledge gap between individual layered oxide types by summarizing recent developments in all important 2D oxide systems including supported ultrathin oxide films, layered clays and double hydroxides, layered perovskites, and novel 2D-zeolite-based materials. Particular attention is paid to the underlying similarities and differences between the various materials, and the subsequent challenges faced by each research community. The potential of layered oxides toward future applications is critically evaluated, especially in the areas of electrocatalysis and photocatalysis, biomass conversion, and fine chemical synthesis. Attention is also paid to corresponding novel 3D materials that can be obtained via sophisticated engineering of 2D oxides.

• Keywords
• 2D catalysts, 2D zeolites, energy transitions, environmentally friendly catalysis, layered oxides,
• MeSH
• Catalysis MeSH
• Nanostructures chemistry   MeSH
• Oxides chemistry   MeSH
• Publication type
• Journal Article MeSH
• Review MeSH
• Names of Substances
• Oxides MeSH

In response to the growing need for development of modern biomaterials for applications in regenerative medicine strategies, the research presented here investigated the biological potential of two types of polymer nanocomposites. Graphene oxide (GO) and partially reduced graphene oxide (rGO) were incorporated into a poly(ε-caprolactone) (PCL) matrix, creating PCL/GO and PCL/rGO nanocomposites in the form of membranes. Proliferation of osteoblast-like cells (human U-2 OS cell line) on the surface of the studied materials confirmed their biological activity. Fluorescence microscopy was able to distinguish the different patterns of interaction between cells (depending on the type of material) after 15 days of the test run. Raman micro-spectroscopy and two-dimensional correlation spectroscopy (2D-COS) applied to Raman spectra distinguished the nature of cell-material interactions after only 8 days. Combination of these two techniques (Raman micro-spectroscopy and 2D-COS analysis) facilitated identification of a much more complex cellular response (especially from proteins) on the surface of PCL/GO. The presented approach can be regarded as a method for early study of the bioactivity of membrane materials.

• Keywords
• 2D correlation spectroscopy (2D-COS), Graphene oxide (GO), Poly(ε-caprolactone) (PCL), Polymer nanocomposite, Raman micro-spectroscopy, Reduced graphene oxide (rGO),
• MeSH
• Graphite * pharmacology   chemistry   MeSH
• Humans MeSH
• Osteoblasts MeSH
• Polyesters chemistry   MeSH
• Polymers MeSH
• Spectrum Analysis, Raman MeSH
• Check Tag
• Humans MeSH
• Publication type
• Journal Article MeSH
• Names of Substances
• Graphite * MeSH
• graphene oxide MeSH Browser
• Polyesters MeSH
• Polymers MeSH

The aim of this work was to evaluate the possibility to use in vivo (31)P magnetic resonance spectroscopy (MRS) for the diagnosis of kidney graft dysfunction after transplantation. We examined 68 kidney grafted patients using a 1.5 T MR scanner. (31)P MRS was performed using the 2D-chemical shift imaging method. The patients were divided into 4 groups: acute rejection episode; acute tubular necrosis; late graft dysfunction; or good renal function. We measured the signal intensities of phosphomonoesters (PME), inorganic phosphate (Pi), phosphodiesters (PDE), and α-, β-, γ-adenosine triphosphate (ATP; with contributions of α- and β-adenosine diphosphate) and their ratios. Patients with an acute rejection episodes showed a significantly elevated PME/β-ATP and PDE/β-ATP, PME/Pi, and PDE/Pi signal ratios compared with the control group. The group with acute tubular necrosis had decreased ratios. Patients with late graft dysfunction revealed only an insignificant decrease in PME/Pi and PDE/Pi ratios. We concluded that (31)P MRS was capable of distinguishing the two main causes of graft dysfunction early after transplantation.

• MeSH
• Adult MeSH
• Phosphorus Isotopes MeSH
• Kidney physiopathology   MeSH
• Middle Aged MeSH
• Humans MeSH
• Magnetic Resonance Spectroscopy methods   MeSH
• Kidney Transplantation * MeSH
• Check Tag
• Adult MeSH
• Middle Aged MeSH
• Humans MeSH
• Male MeSH
• Female MeSH
• Publication type
• Journal Article MeSH
• Research Support, Non-U.S. Gov't MeSH
• Names of Substances
• Phosphorus Isotopes MeSH

As the field of low-dimensional materials (1D or 2D) grows and more complex and intriguing structures are continuing to be found, there is an emerging need for techniques to characterize the nanoscale mechanical properties of all kinds of 1D/2D materials, in particular in their most practical state: sitting on an underlying substrate. While traditional nanoindentation techniques cannot accurately determine the transverse Young's modulus at the necessary scale without large indentations depths and effects to and from the substrate, herein an atomic-force-microscopy-based modulated nanomechanical measurement technique with Angstrom-level resolution (MoNI/ÅI) is presented. This technique enables non-destructive measurements of the out-of-plane elasticity of ultra-thin materials with resolution sufficient to eliminate any contributions from the substrate. This method is used to elucidate the multi-layer stiffness dependence of graphene deposited via chemical vapor deposition and discover a peak transverse modulus in two-layer graphene. While MoNI/ÅI has been used toward great findings in the recent past, here all aspects of the implementation of the technique as well as the unique challenges in performing measurements at such small resolutions are encompassed.

• Keywords
• 2D materials, atomic force microscopy, indentation, nanomechanics,
• Publication type
• Journal Article MeSH

Noble gases, notably xenon, play a pivotal role in diverse high-tech applications. However, manufacturing xenon is an inherently challenging task, due to its unique properties and trace abundance in the Earth's atmosphere. Consequently, there is a pressing need for the development of efficient methods for the separation of noble gases. Using mild fluorographene chemistry, nitrogen-doped graphene (GNs) materials are synthesized with abundant aromatic regions and extensive nitrogen doping within the vacancies and holes of the aromatic lattice. Due to the organized interlayer "nanochannels", nitrogen functional groups, and defects within the two-dimensional (2D) structures, GNs exhibits effective selectivity for Xe over Kr at low pressure. This enhanced selectivity is attributed to the stronger binding affinity of Xe to GN compared to Kr. The adsorption is governed by London dispersion forces, as revealed by theoretical calculations using symmetry-adapted perturbation theory (SAPT). Investigation of other GNs differing in nitrogen content, surface area, and pore sizes underscores the significance of nitrogen functional groups, defects, and interlayer nanochannels over the surface area in achieving superior selectivity. This work offers a new perspective on the design and fabrication of functionalized graphene derivatives, exhibiting superior noble gas storage and separation activity exploitable in gas production technologies.

• Keywords
• 2D materials, defect engineering, noble gas separation, selectivity, symmetry‐adapted perturbation theory (SAPT), xenon,
• Publication type
• Journal Article MeSH

The exploitation of two-dimensional (2D) vanadium carbide (V2CTx, denoted as V2C) in electrocatalytic hydrogen evolution reaction (HER) and nitrogen reduction reaction (NRR) is still in the stage of theoretical study with limited experimental exploration. Here, we present the experimental studies of V2C MXene-based materials containing two different bismuth compounds to confirm the possibility of using V2C as a potential electrocatalyst for HER and NRR. In this context, for the first time, we employed two different methods to synthesize 2D/0D and 2D/2D nanostructures. The 2D/2D V2C/BVO consisted of BiVO4 (denoted BVO) nanosheets wrapped in layers of V2C which were synthesized by a facile hydrothermal method, whereas the 2D/0D V2C/Bi consisted of spherical particles of Bi (Bi NPs) anchored on V2C MXenes using the solid-state annealing method. The resultant V2C/BVO catalyst was proven to be beneficial for HER in 0.5 M H2SO4 compared to pristine V2C. We demonstrated that the 2D/2D V2C/BVO structure can favor the higher specific surface area, exposure of more accessible catalytic active sites, and promote electron transfer which can be responsible for optimizing the HER activity. Moreover, V2C/BVO has superior stability in an acidic environment. Whilst we observed that the 2D/0D V2C/Bi could be highly efficient for electrocatalytic NRR purposes. Our results show that the ammonia (NH3) production and faradaic efficiency (FE) of V2C/Bi can reach 88.6 μg h-1 cm-2 and 8% at -0.5 V vs. RHE, respectively. Also V2C/Bi exhibited excellent long-term stability. These achievements present a high performance in terms of the highest generated NH3 compared to recent investigations of MXenes-based electrocatalysts. Such excellent NRR of V2C/Bi activity can be attributed to the effective suppression of HER which is the main competitive reaction of the NRR.

• Publication type
• Journal Article MeSH

Ultrathin bismuth exhibits promising performance for topological insulators due to its narrow band gap and intrinsic strong spin-orbit coupling, as well as for energy-related applications because of its electronic and mechanical properties. However, large-scale production of 2D sheets via liquid-phase exfoliation as an established large-scale method is restricted by the strong interaction between bismuth layers. Here, a sonication method is utilized to produce ultrahigh-aspect-ratio bismuthene microsheets. The studies on the mechanism excludes the exfoliation of the layered bulk bismuth and formation of the microsheets is attributed to the melting of spherical particles (r = 1.5 µm) at a high temperature-generated under the ultrasonic tip-followed by a recrystallization step producing uniformly-shaped ultrathin microsheets (A = 0.5-2 µm2 , t: ≈2 nm). Notably, although the preparation is performed in oxygenated aqueous solution, the sheets are not oxidized, and they are stable under ambient conditions for at least 1 month. The microsheets are used to construct a vapor sensor using electrochemical impedance spectroscopy as detection technique. The device is highly selective, and it shows long-term stability. Overall, this project exhibits a reproducible method for large-scale preparation of ultrathin bismuthene microsheets in a benign environment, demonstrating opportunities to realize devices based on bismuthene.

• Keywords
• 2D materials, bismuthene, high-resolution transmission electron microscopy, sensors, ultrasonication,
• Publication type
• Journal Article MeSH