Three-dimensional V₂O₅ hollow structures have been prepared through a simple synthesis strategy combining solvothermal treatment and a subsequent thermal annealing. The V₂O₅ materials are composed of microspheres 2–3 μm in diameter and with a distinct hollow interior. The as-synthesized V₂O₅ hollow microspheres, when evaluated as a cathode material for lithium-ion batteries, can deliver a specific capacity as high as 273 mAh·g⁻¹ at 0.2 C. Benefiting from the hollow structures that afford fast electrolyte transport and volume accommodation, the V₂O₅ cathode also exhibits a superior rate capability and excellent cycling stability. The good Li-ion storage performance demonstrates the great potential of this unique V₂O₅ hollow material as a high-performance cathode for lithium-ion batteries.

This study introduces a novel and sustainable method of producing graphene from coconut shells and investigates its application in Graphene, Ni/Graphene, and Zn/Graphene electrodes for advanced energy storage devices. The graphene was synthesized scalably using a pyrolysis and impregnation technique, with its successful synthesis verified by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), and electrical conductivity measurements characterizations. The study highlights the enhanced performance of Zn/Graphene electrodes, which outperform both pure graphene and Ni/Graphene variants. This superior performance is attributed to the smaller particle size of Zn (mean = 2.356 µm) compared to Ni (mean = 3.09 µm), and Zn’s more favorable electron configuration for electron transfer. These findings demonstrate the potential of bio-derived graphene composites as efficient, high-performance electrodes, paving the way for more sustainable and cost-effective energy storage solutions.

A low-cost bio-mass-derived carbon substrate has been employed to synthesize MoS₂@carbon composites through a hydrothermal method. Carbon fibers derived from natural cotton provide a three-dimensional and open framework for the uniform growth of MoS₂ nanosheets, thus constructing hierarchically coaxial architecture. The unique structure could synergistically benefit fast Li-ion and electron transport from the conductive carbon scaffold and porous MoS₂ nanostructures. As a result, the MoS₂@carbon composites, when served as anodes for Li-ion batteries, exhibit a high reversible specific capacity of 820 mAh g^-1, high-rate capability (457 mAh g^-1 at 2 A g^-1), and excellent cycling stability. The superior electrochemical performance makes the MoS₂@carbon composites to be low-cost and promising anode materials for Li-ion batteries.

Performing optimisation and scale-up studies of crystallisation systems requires accurate and computationally efficient mathematical models. The assumption of the ideal mixing conditions in batch reactors typically produce inaccurate results while the computational expense of CFD models is still prohibitively high. Therefore, in this work, a new intermediary approach is proposed that takes into account the non-ideal mixing conditions in the reactor and requires less computational resources than full CFD simulations. Starting with the Danckwerts concept of the intensity of segregation, an analogy between its application to chemical reactions and the kinetics of the crystallisation phenomena (such as nucleation and growth) has been made. As a result, the modified kinetics expressions have been derived which incorporate the effect of non-idealities present in stirred reactors. This way, based on the experimental measurements of the mixing time using the Laser Induced Fluorescence (LIF) technique, computationally more efficient mathematical models can be developed in two ways: (1) the accurate semi-empirical correlations are available for standard mixing configurations with the most often used types of impellers, (2) CFD simulations can be utilised for estimation of the mixing time; in this case it is necessary to simulate only the mixing process. The benefits offered by the LIF experimental technique have been demonstrated and some frequent problems in its application analysed. The mixing time results for configurations with and without baffles for three types of impellers and four different rotational speeds have been presented. The false shorter mixing times in the non-baffled configurations have been observed and this phenomena explained by the existence of two segregated zones in the reactor and confirmed by additional experiments. The precise measurements in these cases have been shown as difficult using the LIF technique, particularly for higher rpms. The experimental data has been compared to the preliminary simulation results obtained from the Smoothed Particle Hydrodynamics method and the standard k-ε turbulence model with the modest success. The shortcomings of the SPH model have been recognized and the directions for the future work discussed.

The second article in the series presents the application of the Smoothed Particle Hydrodynamics (SPH) method to modelling of batch crystallisation in stirred tanks. A methodology to integrate the population balance equations (PBE) in parallel and independently from the Navier-Stokes equations is demonstrated. The benefits of the proposed methodology in terms of computational requirements, accuracy and availability of the crystal size distribution are discussed. The specific formulation of the SPH equations where the resulting system of ordinary differential equations is solved using the weighted contributions rather than numerically by solving a linear system of equations allows for massive parallelisation and a very loose coupling of the population balance and the fluid dynamics. It has been demonstrated, that the population balance equations can be solved on a Shared Memory Architecture (SMA) system using the OpenMP interface while the fluid dynamics equations being computed independently on a General Purpose Graphics Processing Unit (GPGPU) using the NVidia CUDA technology. This way, a significant portion of the computational overhead due to the large number of additional transport equations resulting from the discretisation of the population balance was removed: the SPH simulation coupled with 200 population balance equations was only 40% slower compared to SPH-only simulation. Two methods for the solution of population balance equations that preserve full crystal size distribution were implemented: discretised population balance (DPB) and method of characteristics (MOCH). The DPB equations are solved using the high-resolution finite-volume method with flux limiter and the effect of a large number of different flux limiters have been investigated. Both methods were validated using the case studies from the literature where an analytical solution can be derived. The developed models were applied to a numerical solution of coupled computational fluid dynamics and population balance equations to model a batch crystallization process. The effect of the hydrodynamics on the local temperature/supersaturation and the resulting crystal size distribution was captured and compared to the ideal mixing case. The simulation results from the DPB and MOCH methods were compared in terms of computational requirements and accuracy and MOCH selected as computationally more efficient and accurate.

Several series of new polymers were synthesized: binary copolyesters of vanillic (VA) and hydroxybiphenylcarboxylic (HBCA) acids, as well as ternary copolyesters additionally containing hydroxybenzoic acid (HBA) and obtained via three different ways (in solution, in melt and in solid state). The high values of logarithmic intrinsic viscosities and insolubility of several samples proved its high molecular weights. It has been shown that the use of vanillic acid leads to the production of copolyesters with a relatively high glass transition temperature (about 130°C). Thermogravimetric analysis revealed onset of weight loss temperatures of ternary copolyesters occurred at 330-350 °C, the temperature of 5% mass loss is in the range of 390-410 °C. Two-stage thermal destruction is observed for all aromatic copolyester of vanillic acid: decomposition begins with VA units at 420-480 °C, and then decomposition of more heat-resistant units demonstrated above 520 °C. The copolyesters are thermotropic and exhibit a typical nematic type of liquid crystalline order. Mechanical characteristics of copolyesters are close to those for semi-aromatic copolyesters, but are much lower than typical values for fully aromatic thermotropic polymers. Thus, vanillic acid is a mesogenic monomer suitable for the synthesis of thermotropic fully aromatic and semi-aromatic copolyester, but resulting processing temperature must not exceed 280°C.

Graphene is a two-dimensional carbon atom with a hexagonal honeycomb-like structure in which the sp2 hybridization occurs. GO sheets are highly oxidized and have oxygen-containing groups. Properties of electronics, mechanicals, magnetics, and optics, Oxidized Methods for Brodies, Staudenmaier, Hofmann, Hummers, Improved Hummers, and Tour's Methods Reduction of Graphene oxide methods Chemical Reduction using sodium borohydride, 2,4-dinitrophenylhydrazine, Hydrazine hydrate, Thermal Reduction, Hydrothermal Reduction, Exfoliation Reduction, Catalytic Reduction, and the green synthesis route for reduction, The reduction of graphene oxide has a wide range of applications, including its use in energy storage devices for Solar cells, Supercapacitors, LIG-based sensors, River Water sensors, Battery, hydrovoltaic generators, OLED Screen, and Graphene Shielding. This review will determine the future of a few applications.

Graphene, a single layer of carbon atoms arranged in a two-dimensional honeycomb lattice, has attracted tremendous attention due to its exceptional properties and diverse applications. Synthesis methods play a crucial role in tailoring graphene's properties for specific applications. This review provides a comprehensive overview of recent advances in graphene synthesis techniques, including chemical vapor deposition (CVD), exfoliation, epitaxial growth, and chemical reduction. We discuss the principles, advantages, challenges, and applications associated with each method. Furthermore, emerging trends and future prospects in graphene synthesis are explored, with a focus on scalability, cost-effectiveness, and environmental sustainability.

The compatibility of graphene or graphene oxide with its dispersion medium (polymer) plays a critical role in the formation nanocomposite materials with significant property improvements. Environmentally friendly miniemulsion polymerization, which allows a formation of nanoencapsulation in an aqueous phase and high molecular weight polymer/composite production is one promising method. In this study, we screened a series of amphiphilic modifiers and found that the quaternary ammonium (ar-vinyl benzyl) trimethyl ammonium chloride (VBTAC) pending carbon double bonds could effectively modify the graphene oxide (GO) to be compatible with the organophilic monomer. After that, free radical miniemulsion polymerization could successfully synthesize stable latex of exfoliated poly (methyl methacrylate) (PMMA)/ GO nanocomposite. The final latex had an extended storage life and a relatively uniform particle size distribution. X-ray powder diffraction (XRD), transmission electron microscopy (TEM), and scanning electron microscopy (SEM) analysis of this latex and its films indicated successful encapsulation of exfoliated nano-dimensional graphene oxide inside a polymer matrix.

This research review explores the synthesis of graphene quantum dots (GQDs) from biowaste for supercapacitor applications, driven by the need for sustainable and efficient energy storage technologies. GQDs, with their unique properties like high surface area and excellent conductivity, hold promise for enhancing supercapacitor performance. Various synthesis methods, including hydrothermal/solvothermal processes, chemical exfoliation, carbonization/pyrolysis, and microwave-assisted synthesis, are discussed alongside characterization techniques to evaluate GQD properties. Biowaste-derived GQDs demonstrate significant potential by improving specific capacitance and cycling stability in supercapacitor electrodes. Challenges such as scalability and material purity are identified, with future directions focusing on enhancing energy density, cycle life, and cost-effectiveness to propel the adoption of biowaste-derived GQDs in commercial energy storage applications.

Phytochemicals have a long and successful history in drug discovery. With recent advancements in analytical techniques and methodologies, discovering bioactive leads from natural compounds has become easier. Computational techniques like molecular docking, QSAR modelling and machine learning, and network pharmacology are among the most promising new tools that allow researchers to make predictions concerning natural products' potential targets, thereby guiding experimental validation efforts. Additionally, approaches like LC-MS or LC-NMR speed up compound identification by streamlining analytical processes. Integrating structural and computational biology aids in lead identification, thus providing invaluable information to understand how phytochemicals interact with potential targets in the body. Emerging computational approach is machine learning involving QSAR modelling and deep neural networks that interrelate phytochemical properties with diverse physiological activities such as antimicrobial or anticancer effects.

An effective approach to fabricate large-scale of conducting polyaniline (PANI) by an in situ anodic electrochemical polymerization on the nickel foam, which coated by a novel aryl diazonium salt (ADS)-functionalized graphene (ADS-G). In present work, ADS-G was used as a high surface area support material for electrochemical polymerization of PANI. Electrochemical performances of the ADS-G/PANI composites exhibited better suitability as supercapacitor electrode materials than that of the PANI. The ADS-G/PANI composites achieved the specific capacitance of 528 F g-1, which was higher than that of PANI (266 F g-1) due to the excellent electrode-electrolyte interaction and synergistic effect of electrical conductivity between ADS-G and PANI in the composites. These findings suggested that the ADS-G/PANI composites were a suitable composite for the potential supercapacitor applications.

We report the growth of graphene at a low temperature using the cold wall chemical vapor deposition technique (CWCVD). Few layered (~6-8 layers) graphene were grown on nickel-coated silicon with acetylene as the precursor gas. The advantage of the combination of the acetylene (as a carbon feedstock) and the nickel catalyst was the lowering of the graphene growth temperature. Nickel coated silicon samples were pre-treated (heat treatment in inert atmosphere) before the growth and the effect of the pre-treatment on the catalyst as well as on the grown film was studied. The final samples were characterized with scanning electron microscopy and Raman spectroscopy. In CWCVD route, the heating of only the substrate holder enabled high heating and cooling rates, which, along with the control over partial pressure of the precursor gas had profound effect on the formation of graphene. In the best sample we have achieved almost equal intensity of the G and 2D peaks in Raman spectrum, which implied about ~6-8 layers of Graphene. The defect peak (the D band) was extremely small in the sample and it was attributed to the ripples and the underlying roughness of the nickel film. We analyzed that a proper choice of the thickness of catalyst layer and a higher cooling rate after graphene growth it would be possible to obtain monolayered graphene. Similar samples grown in a normal atmospheric CVD (with some engineered design to promote fast cooling) were also compared with the cold wall CVD grown samples and plasma assisted CWCVD, and cold-wall CVD demonstrated a better control over the quality of graphene film through the fast cooling and a controlled partial pressure of the precursor gas.

Carbonization of a biopolymer (lignin) in self-propagating high-temperature synthesis (SHS) led to the production of 2D graphene structures. With the help of modern analytical methods (Raman spectroscopy, X-ray diffraction) and electron microscopy, the resulting product was confirmed to have a few-layer 2D graphene structure. The predicted photovoltaic properties of the resulting few-layer graphene were implemented for laser ignition of a model pyrotechnic composition based on porous silicon. A phenomenological model of the formation mechanism of 2D graphene structures under the conditions of the SHS process is proposed.

A quantitative method is proposed to determine of Stone-Wales defects for carbon nanostructures with sp2 hybridization of carbon atoms. The technique is based on the diene synthesis reaction (Diels-Alder reaction). The proposed method was used to determine Stone-Wales defects in the few-layer graphene (FLG) nanostructures synthesized by the self-propagating high-temperature synthesis (SHS) process, in reduced graphene oxide (rGO) synthesized based on the method of Hammers and in the single-walled carbon nanotubes (SWCNT) TUBAL trademark, Russia. Our research has shown that the structure of FLG is free of Stone-Wales defects, while the surface concentration of Stone-Wales defects in TUBAL carbon nanotubes is 1.1×10-5 mol/m2 and 3.6×10-5 mol/m2 for rGO.

Owing to their extraordinary properties, carbon-based nanomaterials are gaining traction in biomedicine. Green synthesis is the cost-effective method for fabricating carbon-based nanomaterials due to its rapidity, renewable nature, and sustainability. This study emphasis on the graphene oxide (GO) reduction using a simple one-pot technique that does not require the use of toxic reducing agents. This article reports the green synthesis of reduced graphene oxide (RGO) using Hibiscus sabdariffa L. calyxes extract as the natural reducing agent. Additionally, this article also provides analysis RGO using X-ray diffraction (XRD), UV-Visible spectroscopy (UV-Vis), and Raman spectroscopy. XRD result showed that the GO peak at 11o diminished, and a new hump appear at 22o indicating that the GO is fully reduced when it is refluxed for 6 hours, at 100oC with 1:3 ratio of GO:PE. The UV-Vis data indicated absorption peak of GO (237 nm) and RGO (265 nm) at distinct locations. This finding shed new light on the enormous potential of Hibiscus sabdariffa L. calyxes extract for green GO reduction. As a result, this environmentally friendly method can help reduce dependence on chemical materials.

Thermal camouflage is a highly sought-after technology to increase the survivability of military equipment against infrared (IR) detectors. Recently, two-dimensional (2D) nanomaterials have shown low IR emissivity, widely tunable opto-electronic properties and compatibility with stealth-applications. Among them, graphene and graphene-like materials are the most attractive 2D materials used for thermal camouflage applications. In particular, in multilayer graphene (MLG) charge density can be effectively tuned through sufficiently intense electric fields or through electrolytic gating. Therefore, MLG optical properties, like infrared emissivity and absorbance, can be controlled in a wide range by voltage bias. The large emissivity modulation achievable with this material makes it suitable in the design of thermal dynamic camouflage devices. Generally, the emissivity modulation in the multilayered graphene medium is governed by an intercalation process of non-volatile ionic liquids under a voltage bias. The electrically-driven reduction of emissivity leads to a decrease in the apparent temperature of the surface, which can match that of the background enabling thermal camouflaging. Since this property is common to other graphene-based materials, here we present a review specifically focused on the recent advances in the field of the thermal camouflage properties of graphene in the form of composite film and aerogel structures. A summary of the current understanding of the working principle of thermal camouflage materials, current limitations, and future opportunities is presented and discussed.

In this work, fluorinated graphene nanoscrolls (FGN) were synthesized via facile chemical methods under simple and mild conditions. Interestingly, the formation of the featured FGN was significantly solvent sensitive. Experimental results indicated that in the presence of aprotic solvent, for example, N,N dimethylformamide (DMF), the reaction system inclined to form the interesting FGN nanostructures. The structure and morphology of the prepared FGN were detailed characterized by atomic force microscopy (AFM), transmission electron microscopy (TEM), scanning electron microscopy (SEM) and X-ray diffraction (XRD) etc. The obtained FGN was used as a cathode material for primary lithium ion batteries with superior discharge specific capacity (eg. 979.3 mAhg-1), stable discharge platform and high energy density (eg. 2287.9 Wh kg-1), which fosters it a high density, low cost and durable candidate for cathode material for lithium ion batteries..

Graphene was synthesized through a two-step pyrolysis method using waste candlenut (Aleurites moluccanus) shells as the precursor. Cerium (Ce)/graphene composites were prepared via an impregnation technique. The resulting graphene and Ce/graphene were characterized using various analytical methods, including Scanning Electron Microscopy with Energy-Dispersive Spectroscopy (SEM-EDS), X-ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscopy (TEM), Thermo Gravimetric Analysis (TGA), Fourier Transform Infrared (FTIR) spectroscopy, Cyclic Voltammetry (CV), and Linear Sweep Voltammetry (LSV). The bio-carbon produced predominantly exhibited a graphene structure with flat carbon morphology and an interlayer distance of 0.33 nm. This structural information is supported by XRD data, which shows a broad and weak peak at 2θ = 26° corresponding to the C (002) plane, indicative of graphene presence. FTIR, XPS, and Raman spectroscopy further confirmed the presence of graphene through the detection of Csp2 aromatic bonds and the characteristic D, G, and 2D peaks. Notably, the performance of cerium can be enhanced by the incorporation of graphene, attributed to the large surface area and chemical interactions between Ce and graphene. Consequently, candlenut-derived graphene shows potential as a supportive material for modifying the properties of cerium, thereby opening avenues for various advanced applications, such as sustainable and high-performance energy storage systems.

Retinoblastoma (Rb) is a rare cancer that nonetheless represents the most common ocular malignancy in children. Rb exists as familiar and sporadic cancer and the increasing incidence of the sporadic one and its pathogenesis is mostly unknown. To date the management of retinoblastoma requires intensive chemotherapy and sometimes invasive surgery in order to preserve vision and quality of life in Rb patients. The discovery of the epigenetic nature of non-hereditable/sporadic Rb led to the development of high-throughput precision investigation strategies for the study of its epigenetic landscape. Here we investigated the effect of the demethylating 5-Aza-2’- deoxycytidine (Decitabine; DAC) agent on preclinical models to assess its possible use as anti-cancer drug in the treatment of Rb patients. We found that DAC treatment induced cell cycle arrest and apoptosis in Weri-Rb-1 cells. We investigated the variation of differential gene expression profile in Rb cells in relation to time of exposure to DAC with respect to controls. Network map analysis evidences 15 hub/driver genes, which share pathways of regulation of TNF-, FAS-, p53-dependent apoptotic signaling and NF-kB pro-survival pathways. Furthermore, a computing expression profile analysis of publicly available datasets of patients’ primary tumors and normal retina cell-derived organoids vs WeriWeri-Rb-1 DEGs depicted the relevancy of these 15 hub genes on retinoblastoma genesis. The antiproliferative effect of DAC treatment on Rb was confirmed in vivo, both in subcutaneous xenograft and orthotopic models also showing the changes the gene methylation status in treated Weri-Rb-1, shedding a new light on the reprogramming antiproliferative dynamics induced by the epigenetic therapy and on the role of this therapeutic approach to spare children sight and life.

Polystyrene as a thin film on arbitrary substrates or pellets form defective graphene films or powders that can be dispersed in water and organic solvents. The materials were characterized by visible absorption, Raman and X-ray photoelectron spectroscopy, electron and atomic force microscopy and electrochemistry. Raman spectra of these materials show the presence of the expected 2D, G and D peaks at 2750, 1590 and 1350 cm^-1, respectively. The relative intensity of the G vs. the D peak is taken as a quantitative indicator of the density of defects in the G layer.

Graphene nanostructures (GNS) are among the most promising materials for creating supercapacitors. However, GNS are still not used in creating supercapacitors due to the impossibility of obtaining large volumes of high-quality material at an acceptable cost. In this work, we investigated the efficiency of using few-layer graphene (FLG) with the number of layers is not more than 5 synthesized under Self-propagating high-temperature synthesis (SHS) conditions as basic material for supercapacitors. Using the SHS process makes it possible to synthesize large volumes of FLG without Stone-Wales defects. It was found that the synthesized FLG makes it possible to obtain better results than using classical materials, namely activated carbon (AC). It was found that the sample based on FLG has a higher specific capacitance – 65 F×g-1 compared to the sample from AC, the specific capacitance of which is 35 F×g-1, for a speed of 5 mV×s-1 these values are 170 and 64 F×g-1, respectively. The drop in capacitance over 1000 cycles was 4%, which indicates a sufficiently high stability of FLG and allows us to consider FLG as perspective material for use in supercapacitors.

Ice accumulation poses considerable challenges in transportation, notably in the domain of general aviation. The present study combines the strengths and limitations of conventional aircraft de-icing techniques with the emerging trend toward all-electric aircraft. The study aims to utilize laser-induced graphene (LIG) technology to create a multifunctional surface, seamlessly integrating hydrophobic properties with efficient electrical heating to mitigate surface icing effectively. We investigated the utilization of a 10.6 μm CO2 laser for direct writing on polyimide (PI), a widely-used insulating encapsulation material. From the thermomechanical perspective, our initial analysis using COMSOL Multiphysics software revealed that when the laser power P exceeds 5 W, the PI substrate experience ablative damage. The experimental results show that when P ≤ 5W, an increase in power has a positive impact on the quality, surface porosity, roughness reduction, line-spacing reduction, and water contact-angle enhancement of the graphene. Conversely, when P > 5 W, higher power negatively affects both the substrate and the graphene structure by inducing excessive ablation. However, it influences the graphene line height positively and is consistent with overall experimental-simulation congruence. Furthermore, the incorporation of high-quality graphene resulted in a surface that exhibited higher contact angles (CA > 120°), lower energy consumption, and higher heating efficiency compared to the use of traditional electrically heated materials for anti-icing applications. The potential applications of this one-step fabrication method extend across various industries, particularly aviation, marine engineering, and other ice-prone domains. Moreover, the method has extensive prospects for addressing pivotal challenges associated with ice formation and serves an innovative and efficient anti-icing technology.

The electronic structure of 7/9-AGNR superlattices with up to eight unit cells has been studied by means of state of the art Density Functional Theory (DFT) and also by two model Hamiltonians, the first one including only local interactions (Hubbard model, Hu) while the second one is extended to allow long-range Coulomb interactions (Pariser, Parr and Pople model, PPP). Both are solved within mean field approximation. At this approximation level, our calculations show that 7/9 interfaces are better described by spin non-polarized solutions than by spin-polarized wavefunctions. Consequently, both Hu and PPP Hamiltonians lead to electronic structures characterized by a gap at the Fermi level that diminishes as the size of the system increases. DFT results show similar trends although a detailed analysis of the density of states around the Fermi level shows quantitative differences with both Hu and PPP models. Before improving model Hamiltonians, we interpret the electronic structure obtained by DFT in terms of bands of topological states: topological states localized at the system edges and extended bulk topological states which interact between them due to the long-range Coulomb terms of Hamiltonian. After careful analysis of the interaction among topological sates, we find that the discrepancy between ab initio and model Hamiltonians can be resolved considering a screened long-range interaction that is implemented adding an exponential cutoff to the interaction term of PPP model. In this way, an adjusted cutoff distance λ = 2 allows a good recovery of DFT results. In view of this, we conclude that the correct description of the density of states around the Fermi level (Dirac point) needs the inclusion of long-range interactions well beyond Hubbard model but not completely unscreened as is the case for the PPP model.

This study represents a significant stride in advancing furan chemistry, presenting the synthesis of high-molecular-weight polyfurfuryl alcohol (PFA) resin (Mw = 118,959 g/mol) from furfuryl alcohol (FA) using a co-catalytic system as against the conventional single-catalytic methods. The resulting PFA resin is fully characterised, and we conclude that it exhibits good shelf life and potential in diverse applications, serving as a standalone moulded material or contributing to composites, coatings, adhesives, and nanostructured carbons.

The present investigation highlights the synthesis of polyaniline (PANI) coated graphene oxide doped with SrTiO3 nanocube nanocomposites through facile in-situ oxidative polymerization method for the efficient removal of carcinogenic dyes, namely, the cationic dye methylene blue (MB) and the anionic dye methyl orange (MO). The synthesised nanocomposites were characterised by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). The adsorption efficiencies of graphene oxide (GO), PANI homopolymer and SrTiO3 nanocubes-doped nanocomposites were assessed by monitoring the adsorption of methylene blue and methyl orange dyes from aqueous solution. The adsorption efficiency of nanocomposites doped with SrTiO3 nanocubes were found to be of higher magnitude as compared with undoped nanocomposite. Moreover, the nanocomposite with 2 wt% SrTiO3 with respect to graphene oxide demonstrated excellent adsorption behaviour with 99% and 91% removal of MB and MO respectively, in a very short duration of time.

Enteroviruses (EV) are important pathogens causing human disease with various clinical manifestations. To date, treatment of enteroviral infections is mainly supportive since no vaccination or antiviral drugs are approved for their prevention or treatment. Here, we describe the antiviral properties and mechanisms of action of leucoverdazyls - novel heterocyclic compounds with antioxidant potential. The lead compound, 1a, demonstrated low cytotoxicity along with high antioxidant and virus-inhibiting activity. A viral strain resistant to 1a was selected, and the development of resistance was shown to be accompanied by mutation of virus-specific non-structural protein 2C. This resistant virus had lower fitness when grown in cell culture. Taken together, our results demonstrate high antiviral potential of leucoverdazyls as novel inhibitors of enterovirus replication and support previous evidence of an important role of 2C proteins in EV replication.

Imperfection sensitivity of large amplitude vibration of curved single-walled carbon nanotubes (SWCNTs) is considered in this study. The SWCNT is modeled as a Timoshenko nano-beam and its curved shape is included as an initial geometric imperfection term in the displacement field. Geometric nonlinearities of von Kármán type and nonlocal elasticity theory of Eringen are employed to derive governing equations of motion of nano-beam. Spatial discretization of governing equations and associated boundary conditions is performed using differential quadrature (DQ) method and the corresponding nonlinear eigenvalue problem is iteratively solved. Effects of value and location of the geometric imperfection, and the nonlocal small-scale parameter on the nonlinear frequency ratio and imperfection sensitivity of a curved SWCNT for various boundary conditions are investigated. The results show that the geometric imperfection plays a significant role in the nonlinear vibration characteristics of curved SWCNTs.

Continuing the investigation already started (See Farcaş, A.-A.; Bende, A. PCCP 2024, 26, 14937), the light absorption and charge-transfer properties of the dopamine (DA), dopamine zwitterion (called as dopamine-semi-quinone or DsQ) and dopamine-o-quinone (DoQ) adsorbed on the graphene nanoparticle surface have been investigated using the ground state and linear-response time-dependent density functional theories, considering the B97X-D3BJ/def2-TZVPP level of theory. In terms of the strength of molecular adsorption on the surface, the DsQ form has 50 % higher binding energy than that for the DA or DoQ cases (-20.24 kcal/mol vs. -30.41 kcal/mol). The results obtained for electronically excited states and UV-Vis absorption spectra show that the photochemical behavior of DsQ is more similar to DA than that observed for DoQ. Of the three systems analyzed, the DsQ-based complex showed the most active CT phenomenon, both in terms of the number of CT-like states and the amount of charge transferred. Of the first thirty electronically excited states computed for the DsQ case, eleven are purely CT-type and nine are mixed CT and localized (or Frenkel) excitations. By varying the adsorption distance between the molecule and the surface vertically, the amount of charge transfer obtained for DA decreases significantly as the distance increases, for DoQ it remains stable, while for DsQ there are states for which little change is observed, while for others there is a significant change. Furthermore, the mechanistic compilation of the electron orbital diagrams of the individual components cannot describe in detail the nature of the excitations inside the complex.

The goal of this paper is to fabricate innovative diaphragm headphones using graphene oxide paper (GOP) and GOP/epoxy nanocomposites (GOPC). Initially, graphene oxide suspension is fabricated, and the vacuum filtration method is adopted to make GOP. Then vacuum bag molding is used to fabricate GOPC from GOP. Hot pressing and associated molds are adopted to fabricate line-indented (GOPC-L) or curve-indented patterns (GOPC-C) on the GOPC. The performance of one kind of GOP and three kinds of GOPC diaphragm headphones is analyzed based on their sound pressure level (SPL) curves achieved by the Soundcheck measurement system. There are four important processing parameters that will influence the performance of the diaphragm, including material type GOP versus GOPC, indented pattern type, sonication time on suspension, and graphene weight fraction in suspension. Compliances of various diaphragms are measured by the Klippel LPM laser measurement system. The results indicate that effects of sonication time and graphene weight fraction on SPL of GOP and GOPC headphones are in reverse, and this is associated with their difference on compliance (modulus), mass, damping ratio, and microstructure uniformity. Either GOPC-L or GOPC-C seems to improve the microstructure of the GOPC, and leads to better SPL performance. The correlation between the previous four factors and SPLs of four kinds of diaphragm headphones is proposed by using scanning electron microscope (SEM) to examine the microstructure of these diaphragms.

Graphene hybrid-filler polymer composites have emerged as prominent materials that revolutionize heavy industries. This study encapsulates the in-depth analysis of different influential factors such as filler/graphene type, aspect ratios, dispersion methods, filler-matrix compatibility, fiber orientation, synergistic effects, different processing techniques, and post-curing conditions that affect the processing, properties and determine the resultant applications of graphene hybrid polymer composites. Additionally, it discusses the substantial role of graphene collaboration with other fillers such as carbon nanotubes, silica, nano-clays and metal oxides to produce functionalized hybrid polymer composites with synergistically enhanced tailored properties to offer solutions for heavy industries like aerospace, automotive, electronics, and energy harvesting. The review concludes with some suggestions and outlook on the future of these composite materials by emphasizing the need for continued research to fully optimize their potential.

The cellulose/GO networks as the scaffold of free-standing aerogel electrodes are developed by using lithium bromide aqueous solution as the solvent to ensure the complete dissolution of cotton linter pulp and well dispersion/reduction of GO nanosheets. PANI nanoclusters are then coated onto cellulose/GO networks via in-situ polymerization of aniline monomers. By optimized weight ratio of GO and PANI, the ternary cellulose/GO3.5/PANI aerogel film exhibits well-defined three-dimensional porous structures and high conductivity of 1.15 S/cm that contributes to its high areal specific capacitance of 1218 mF/cm2 at the current density of 1.0 mA/cm2. Utilizing this cellulose/GO3.5/PANI aerogel film as electrodes in a symmetric configuration supercapacitor can result in an outstanding energy density as high as 258.2 μWh/cm2 at a power density of 1201.4 μW/cm2. Moreover, the device can maintain nearly constant capacitance under different bending deformations, suggesting its promising applications in flexible electronics.

Cross-linked polyethylene (XLPE) is a highly all-important material renowned for its exceptional physical and chemical properties, and it is extensively utilized in various industries such as con-struction, piping, cable insulation and medical equipment. The cross-linking process of polyethylene involves chemical or physical bonding of polymer chains to enhance its resistance to heat, chemicals and mechanical stress. This study offers a comprehensive overview of recent research and potential advancements in this field, with a particular focus on the development of efficient techniques and environmentally sustainable cross-linking systems. It evaluates the opportunities and challenges faced by cross-linked polyethylene materials across diverse applications, providing valuable insights for future research in this area.

The goal of this research is to determine the optimal microwave-assisted sol-gel synthesis pa-rameters of TiO2 nanoparticles with the achievement of the crystalline TiO2 nanoparticles with the highest specific surface area and the lowest energy band gap. Titanium isopropoxide was used as a precursor to prepare the sol (colloidal solution) of TiO2, isopropanol as a solvent, acetylacetone for complexation, and nitric acid as a catalyst. Four samples of titanium dioxide were synthesized from the prepared colloidal solution in a microwave reactor at a temperature of 150 °C for 30 minutes and at a temperature of 200 °C for 10, 20, and 30 minutes. The phase composition of the prepared samples was determined by X-ray diffraction analysis (XRD) and Fourier-transform infrared spectroscopy (FTIR). Nitrogen adsorption/desorption isotherms were used to determine the spe-cific surface area and pore size distributions by Brunauer-Emmett-Teller (BET) method. The band gap energy values of the TiO2 samples were determined by diffuse reflectance spectroscopy (DRS). CrystallineTiO2 nanoparticles with the highest specific surface area and the lowest energy band gap were obtained for the TiO2 sample synthesized at 200 °C for 10 minutes.

Biomass materials have received attention for energy storagebecaused of the advantage of low-cost, easy-to-prepare, and eco-friendliness. Three-dimensional carbon materialswith abundant pore structure gradually becomeresearch hotspot in high-performance energy storage. In this study, an easy-to-prepare, green, light and elastic activated carbon was present using the biomass Juncus effusus (JCE) via high-temperature pyrolysis, followed by activation in air. Compared with previously reported bio-carbons, the proposed air-activated bio-carbon contributes in the fabrication of pores to preserve the interconnected, reticular and tubular structure. Moreover, the interconnected porous material also inherits the excellent tenacity of the original JCE such as the material can be bended to below 90^o under an external force while maintaining structural integrity. The activated porous carbon material exhibits an enhanced electric double-layer capacitance (~210 F g^-1 at 1 A g^-1), with capacitance retention of ~78.62% at 10 A g^-1. The interconnected porous carbon microtubes electrode as a double-layer symmetric capacitor exhibits considerable capacitance retention (84%) after 2000 cycles at 1 A g^-1. The improved energy storage performance was proposed to be attributed to the shortened ionic diffusion distance and sufficient contact between the interface of the carbon electrode and electrolyte, which is resulted from the elastic, undamaged structure and types of pores. These results demonstrated that as-preparedcarbon materials have potentional application in symmetric capacitors.

Metasurface constitutes one of the most promising technologies for holographic imaging; however, the work for terahertz (THz) metasurface holographic imaging is relatively limited. Here, we propose a THz dielectric geometric-propagation phase metasurface, which can operate dual-mode (reflection and transmission) and reconfigurable multifunctional holographic imaging. The dual-mode is realized by controlling the Fermi energy level (Ef) of the graphene integrated into the metasurface unit, and the reconfigurable three-channel holographic imaging in reflection or transmission mode are achieved by switching the feed polarization among left-handed circular polarization (LCP), right-handed circular polarization (RCP) and linear polarization (LP). The metasurface is designed based on the transmission mode, and a physical model for switching to the reflection mode is established. For the first time to the best of our knowledge, a reflection-transmission dynamic modulation THz holographic imaging metasurface has been developed. The holographic metasurface operates in transmission mode at Ef = 0.1 eV, and in reflection mode at Ef = 0.9 eV. Compared with recently published holographic imaging metasurfaces, the proposed metasurface offers the following advantages: high holographic efficiencies (42.5% to 49%), more holographic imaging channels, dynamic modulation dual-mode operations, and reconfigurability.

Alcoholic liver disease (ALD) develops when the immunotolerant environment of the liver is compromised due to excessive alcohol consumption. ALD progression involves variations in the expression of multiple genes, resulting in liver inflammation and the development of a leaky gut. Molecular mechanism involved for ALD progression is still unclear, and due to that there are currently no FDA-approved drugs available for its treatment. In this study, the protective effects of Graphene oxide nanoparticles (GO) was investigated against ethanol-induced damage in the gut-liver axis in in vitro. GO was synthesized using a modified Hummer's method and characterization was done. Given the general concerns regarding nanoparticle toxicity, assessment of cell viability, lipid accumulation, DNA damage, cell death, and the generation of reactive oxygen species (ROS) were conducted using various techniques. Furthermore, gene expression of pro- and anti-inflammatory cytokines was done using RT-qPCR. The findings revealed that GOs promoted cell viability even against ethanol treatment. Additionally, lipid accumulation significantly decreased when cells were treated with GO alongside ethanol compared to ethanol treatment alone, with similar trends observed for other assays. Gene expression analysis indicated that GO treatment reduced the expression of proinflammatory cytokines while enhancing the expression of antioxidant genes. Moreover, GO treatment led to improvements in gut permeability and a reduction in proinflammatory cytokines in colon cells damaged by ethanol. These findings suggest that GO holds promise as a drug carrier, exhibiting no observed toxic effects. By shedding light on the protective effects of GO against ethanol-induced damage, this study contributes to the burgeoning field of nanoparticle-mediated therapy for ALD.

The influence of short term water absorption on the mechanical properties of halloysite nanotubes-multi layer graphene reinforced polyester hybrid nanocomposites has been investigated. The addition of nano-fillers significantly increased the flexural strength; tensile strength and impact strength in dry and wet conditions. After short term water exposure; the maximum microhardness; tensile; flexural and impact toughness values were observed at 0.1 wt% MLG. The microhardness increased up to 50.3%; tensile strength increased up to 40% and flexural strength increased up to 44%. Compared to dry samples; the fracture toughness and surface roughness of all types of produced nanocomposites were increased that may be attributed to plasticization effect. Scanning electron microscopy revealed that the main failure mechanism is caused by the weakening of nano-filler-matrix interface induced by water absorption. It was further observed that synergistic effects were not effective at concentration of 0.1 wt% to produce considerable improvement in mechanical properties of produced hybrid nanocomposites.

A hybrid material, consisting of commercially available nitrocellulose (NC) membrane non-covalently modified with amino-polyethylene glycol functionalized reduced graphene oxide (NH2-PEG-rGO) nanoparticles, was successfully synthesized for oligonucleotide extraction. Fourier Transform Infrared Spectroscopy (FTIR) confirmed the modification of the NC membrane, revealing characteristic peaks of both compounds NC and NH2-PEG-rGO. Scanning Electron Microscopy (SEM) exhibited morphological changes in the NC/NH2-PEG-rGO hybrid membrane, marked by the introduction of NH2-PEG-rGO particles, resulting in a distinctly smothered surface compared to the porous surface of the NC control membrane. Wettability assays revealed hydrophobic behavior for the NC/NH2-PEG-rGO hybrid membrane, with a water contact angle exceeding 90°, contrasting with the hydrophilic behavior characterized by a 16.7° contact angle in the NC membrane. The performance of the NC/NH2-PEG-rGO hybrid membrane was evaluated for the extraction of ssDNA with fewer than 50 nucleotides from solutions containing various ionic species (MnCl2, MgCl2, and MnCl2/MgCl2). The NC/NH2-PEG-rGO hybrid membrane exhibited optimal performance when incubated in MgCl2, presenting the highest fluorescence emission at 525 relative fluorescence units (r.f.u.). This corresponds to the extraction of approximately 610 pg (≈13%) of the total oligo-DNA, underscoring the efficacy of the pristine material, which extracts 286 pg (≈6%) of oligo-DNA in complex solutions.

(S)-Atenolol ((S)-2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide) has been synthesized in >99% ee with use of Candida antarctica lipase B from Syncozymes (Shanghai, China), in a kinetic resolution of the corresponding racemic chlorohydrin. Deprotonation of the starting phenol building block was base catalyzed. The enantiopurity of the chlorohydrin building block remained unchanged upon subsequent amination. All four steps in the synthesis protocol have been optimized compared to previously reported methods, which makes this new protocol more sustainable and in accordance with green chemistry principles compared to previously reported protocols.

Transition-metal-free synthesis of 4-pyrones via TfOH-promoted nucleophilic addition/cyclization of diynones and water has been developed. This transformation is simple, atom economical and environmentally benign, providing rapid and efficient access to substituted 4-pyrones.

Thromboembolic conditions, such as stroke and myocardial infarction [MI], are the primary causes of mortality globally. High efficiency was demonstrated by fibrinolytic enzymes isolated from microbial sources in dissolving various blood clots. The study aimed to investigate and produce bacterial fibrinolytic enzymes from various Egyptian soil conditions using recombinant DNA technology. Fifty soil samples were examined to determine the production of fibrinolytic enzymes. The plasmin plate technique assessed the thrombolytic activities of the strong fibrinolytic enzyme-producing bacterial isolates. In addition to determining the molecular mass using a mass spectrometer and the western blot method, the activity and thermostability of the enzymes were characterized. An affinity chromatography approach was used to purify the fibrinolytic enzymes. However, bacterial recombinant DNA technology produced the pure bacterial fibrinolytic enzyme. Several dosage formulations for the formulation of fibrinolytic enzymes were tested. By using affinity chromatography and the SDS-PAGE test, the isolated bacterial fibrinolytic enzyme in this investigation was almost 83% pure. Bacillus cereus ATCC 4342 was identified as the predominant bacterial isolate secreting fibrinolytic enzymes. It was discovered that the fibrinolytic enzyme activity of fifty soil samples ranged from 0.167 U/ml to 1.853 U/ml. The extracellular enzyme extracted from Bacillus cereus culture supernatant demonstrated a relatively stable fibrinolytic activity over 18 hours at a pH range of 7.4–10, as well as stability with maximum productivity at 43℃ for over 60 minutes. In this investigation, the enzyme was referred to as Fibrin-proteinase[ FP]. The fibrin clots were directly thrombolyzed by the FP. The calculated values for the specific activity and molecular mass of the FP were approximately 40.71 units/mg of protein and approximately 30 KDa, respectively. It was observed that the presence of Fe+3 marginally boosted protease activity, but the presence of EDTA decreased it. On the other hand, adding monovalent cations like K+1 and Na+1 significantly increased the fibrinolytic activity of FP. The enzyme exhibited activity throughout the temperature range of 20 to 65℃, peaking at 55℃. The ideal range for the generation of protease was 35–43℃ and 8.0–10. The thermostable fibrinolytic enzyme FP, which was isolated from Bacillus cereus ATCC 4342 in various soil environments in Egypt during the current study, was a promising fibrinolytic enzyme because it demonstrated a more extensive and effective fibrinolytic activity and fewer side effects than the fibrinolytic enzymes that are currently available worldwide. It is advised that further research be done on optimizing the right formulation of bacterial fibrinolytic enzymes in the future to help dissolve different types of blood clots and, as a result, lower the high death rate that exists worldwide.

The need for integrated high-frequency systems has increased significantly, leading to the development of efficient antennas operating in the 0.1-10 terahertz (THz) range. Using graphene as the conducting 2D material and hexagonal boron nitride (hBN) as the dielectric substrate, this research effort examines the design and performance evaluation of a THz band antenna functioning on supporting nanotechnology. The researchers contrasted the system’s performance with the 6G wireless network requirements after analyzing the antenna performance, radiation patterns, and impedance matching. According to this research, graphene, along with hBN can enhance antenna performance overall in the THz band and open pathways for advanced communication. The application of the designed antenna in a 6G wireless network will be tested through um MIMO configuration to achieve a higher data rate.

This investigation explores the potential of enhancing aqueous zinc-ion batteries (AZIBs) through the introduction of a novel cathode material, NH4V4O10 (NVO), combined with reduced graphene oxide (rGO). Utilizing Density Functional Theory (DFT), it was hypothesized that the incorpora-tion of rGO would increase the interlayer spacing of NVO and diminish the charge transfer in-teractions, thus promoting enhanced diffusion of Zn2+ ions. These theoretical predictions were substantiated by experimental data acquired from hydrothermal synthesis, which indicated a marked increase in interlayer spacing. Significantly, the NVO-rGO composite exhibits remarkable cyclic durability, maintaining 95% of its initial specific capacity of 507 mAh g−1 after 600 cycles at a current density of 5 A g−1. The electrochemical performance of NVO-rGO not only surpasses that of pristine NVO but also outperforms the majority of existing vanadium oxide cathode materials reported in the literature. This study underscores the effective integration of theoretical insights and experimental validation, contributing to the advancement of high-performance energy storage technologies.

In this paper, a novel microwave catalyst Ni@SiC/CNFs (NSC), C/Ni (NC), and C/SiC (SC) were successfully synthesized by electrostatic spinning method, and proved to degrade methylene blue with high efficiency under microwave irradiation. The results imply that the catalyst Ni@SiC/CNFs with double shell structure gave a 99.99 % removal rate in 90 s for the degradation of methylene blue under microwave irradiation, outperformed the C/Ni and C/SiC and most other reported catalysts in similar studies. On the one hand, the possible mechanism of the methylene blue degradation should be ascribed to that double shell structure increases the polarization source of the material, resulting in excellent microwave absorption properties; and on the other, the in-situ generation of active species OH• and O2 - under microwave radiation and the synergistic coupling effect of metal plasma greatly improved the degradation efficiency of methylene blue. The findings of this study could provide a valuable reference for the green degradation of industrial dye wastewater and its sustainable development process.

In the context of improving aircraft safety, this study focuses on the development and evaluation of a graphene-based ice detection system using an environmental chamber. The research is driven by the need for more accurate and efficient ice detection methods, crucial in mitigating in-flight icing hazards. The methodology employed involves testing flat graphene-based sensors in a controlled environment, simulating a variety of climatic conditions that could be experienced in an aircraft during its entire flight. The environmental chamber enabled precise manipulation of temperature and humidity levels, thereby providing a realistic and comprehensive test bed for sensor performance evaluation. The results were significant, revealing the graphene sensors’ heightened sensitivity and rapid response to the subtle changes in environmental conditions, especially the critical phase transition from water to ice. This sensitivity is the key to detecting ice formation at its onset, a critical requirement for aviation safety. The study concludes that graphene-based sensors, tested under varied and controlled atmospheric conditions, exhibit a remarkable potential in enhancing ice detection systems for aircraft. Their lightweight, efficient and highly responsive nature makes them a superior alternative to traditional ice detection technologies, paving the way for more advanced and reliable aircraft safety solutions.

Design process can be divided into stages of analysis and synthesis. This paper presents the application of the object-oriented technique to the synthesis as well as theoretical considerations concerning to design of gear size ranges. The synthesis consists in composition (aggregation) of single details into units – according to the rule: “from details up to general view”. The basics of the object-oriented synthesis were formulated. Furthermore, the consecutive stages of synthesis were formulated. The interactions between these stages were discussed. Some aspects were described in details e.g.: creation of interfaces for performance of the embodiment phase the designed artefact via CAD system drawing with specification (dimensions are still parametrically set). The final step of the procedure is creation of so called substantial (concrete) form of artifacts i.e. final assignment of dimensions which stored in the special data base. The final stage of the design process is issuing of technical documentation (technical drawings) created automatically via CAD system. The considerations are terminated by the list of advantages connected with the object-oriented approach to design (in comparison to the traditional way).

We report a self-assembly synthesis of silicon nanoparticles/nitrogen-doped reduced graphene oxide/ carbon nanofiber (Si@N-doped rGO/CNF) composites as potential high-performance anodes for rechargeable lithium-ion batteries (LIB) through the electrostatic attraction between amino and carboxyl groups. Nitrogen atoms generate a large number of vacancies or defects on the graphite plane, providing additional transmission channels for the diffusion of lithium ions, and improving the conductivity of the electrode. Carbon nanofiber (CNF) can help maintain the stability of the electrode structure and prevent silicon nanoparticles from falling off the electrode, prevent silicon nanoparticles from being directly exposed to the electrolyte, and can form a stable solid electrolyte interface (SEI) film. The three-dimensional conductive structure composed of Si, nitrogen atom-doped reduced graphene oxide (N-doped rGO), and CNF can effectively buffer the volume changes of silicon nanoparticles, shorten the transmission distance of lithium ions (Li+) and electrons, and make the electrode have good conductivity and stability in mechanical properties. In addition, compared with the Si@N-doped rGO and Si/rGO/CNF composite electrode, the Si@N-doped rGO/CNF composite electrode shows good cycle performance and rate capability, and its reversible specific capacity can reach 1418.8 mAh/g. The capacity retention rate is 64.7%, and the coulomb efficiency is 95%.

This study fabricated piezoelectric fibers of polyvinylidene fluoride (PVDF) with graphene using near-field electrospinning (NFES) technology. A uniform experimental design table U*7 (7^4 ) was applied, considering weight percentage (1-13 wt%), distance between needle and disk collector (2.1-3.9 mm), and applied voltage (14.5-17.5 kV). We optimized the parameters using electrical property measurements and the Kriging response surface method. Adding 13 wt% graphene significantly improved electrical conductivity, increasing from 17.7 μS/cm for pure PVDF to 187.5 μS/cm. The fiber diameter decreased from 21.4 μm in PVDF/1% graphene to 9.1 μm in PVDF/13% graphene. Adding 5 wt% graphene increased the β-phase content by 6.9%, reaching 65.4% compared to pure PVDF fibers. Material characteristics were investigated using scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction analysis (XRD), contact angle measurements, and tensile testing. Optimal parameters included 3.47 wt% graphene, yielding 15.82 mV voltage at 5 Hz and 5 N force (2.04 times pure PVDF). Force testing showed a sensitivity (S) of 7.67493 log(mV/N). Fibers were attached to electrodes for piezoelectric sensor applications. Results affirmed enhanced electrical conductivity, piezoelectric performance, and mechanical strength. The optimized piezoelectric sensor could be applied to measure physiological signals, such as attaching it to the throat under different conditions to measure the output voltage. The force-to-voltage conversion facilitated subsequent analysis.

In this study, nanostructured cerium-doped TiO2 (Ce-TiO2) films with the addition of different amounts of cerium (0.00, 0.08, 0.40, 0.80, 2.40, and 4.10 wt. %) were deposited on a borosilicate glass substrate, by flow coating sol-gel process. After flow coating, deposited films were dried at the temperature of 100 °C for 1 h, followed by calcination at the temperature of 450 °C for 2 h. For the characterization of sol-gel TiO2 films, the following analytic techniques were used: X-ray diffraction (XRD), thermal gravimetry (TG), differential thermal analysis (DTA), and differential scanning calorimetry (DSC). Sol-gel derived Ce-TiO2 films were used for photocatalytic degrada-tion of the ciprofloxacin (CIP). The influence of the amount of Ce in TiO2 films, the duration of the photocatalytic decomposition, and the irradiation type (UV-A and simulated solar light) on the CIP degradation were monitored. Kinetics parameters (reaction kinetics constants and the half-life) of the CIP degradation, as well as photocatalytic degradation efficiency, were determined. The best photocatalytic activity was achieved by the TiO2 film doped with 0.08 wt.% Ce, under both UV-A, and solar irradiation.

Delivering nucleic acid therapeutics across cell membranes is a significant challenge. Cell-penetrating peptides (CPPs) containing arginine (R), tryptophan (W), and histidine (H) show promise for siRNA delivery. To improve siRNA delivery and silencing a model STAT3 gene, we hypothesized that oleyl acylation to CPPs, specifically (WRH)n, would enhance STAT3 silencing efficiency in breast and ovarian cancer cells. Using Fmoc/tBu solid-phase peptide chemistry, we synthesized, purified, and characterized the oleyl-conjugated (WRH)n (n = 1-4) peptides. The peptide:siRNA complexes were non-cytotoxic at N/P 40 (~20 μM) against MDA-MB-231, MCF-7, SK-OV-3, and HEK-293 cells after 72 h incubation. All peptide:siRNA complexes showed serum stability at N/P ≥40. The synthesized conjugates, with a diameter of <100 nm, formed nano complexes with siRNA and exhibited stable range of zeta potential values (13-18 mV at N/P 40). Confocal microscopy and flow cytometry analysis provided qualitative and quantitative evidence of successful cellular internalization of siRNA. Peptides oleyl-(WRH)3 and oleyl-(WRH)4 showed ~60% and ~75% cellular uptake of siRNA, respectively, in both MDA-MB-231 and SK-OV-3 cells. Western blot analysis of oleyl-(WRH)4 demonstrated effective silencing of the STAT-3 gene, with ~75% silencing in MDA-MB-231 cells and ~45% in SK-OV-3 cells.

Abstract. Graphene family (GF)-Calcium phosphate (CaP) composites, holds great potential as components of bone regeneration materials. GF nanomaterials can be modified physically as well as chemically, which are to be biomimetic, mechanically to be hard due to their capability to support exceptional mechanical, thermal and electronic properties. These biocompatible GF composites coated on the calcium phosphate can enhance and tolerate stem cell growth and differentiation, proliferation into various lineages or interact with bioorganisms. The development in CF-CaP materials and their physicochemical/biointeractions and strategies towards osteoblasts is a great concern to promote faster healing and reconstructions of large bone imperfections or defects. In this review, we explain the influence of the CF-CaP and summarize recent developments on designing CF-CaP architectures as multifunctional bone regeneration platforms. We have also explored the typical biological applications concerning these CF-CaP based bioactive nanocomposites. Furthermore, the future viewpoints and evolving challenges will also be emphasized. Due to the shortage of full-length reviews in this emerging research field, this review would be caught great attention and encourage various new chances across a wider range of disciplines.

The chemical investigation of the anti-yeast methanol extract from the stem bark of Terminalia mantaly led to the isolation of seven compounds: 3-O-methyl-4-O-α-rhamnopyranoside ellagic acid (1), 3-O-mehylellagic acid (2), arjungenin or 2,3,19,23-tetrahydroxyolean-12-en-28-oïc acid (3), arjunglucoside or 2,3,19,23-tetrahydroxyolean-12-en-28-oïc acid glucopyranoside (4), 2α,3α,24-trihydroxyolean-11,13(18)-dien-28-oïc acid (5), stigmasterol (6), stigmasterol 3-O-β-D-glucopyranoside (7). Their structures were established by means of spectroscopic analysis and comparison with published data. Compounds 1-5 were tested in vitro for activity against three pathogenic yeast isolates, Candida albicans, Candida parapsilosis and Candida krusei. The activity of compounds 1, 2 and 4 were comparable to that of the reference compound fluconazole (MIC values below 32 µg/ml) against the three tested yeast isolates. They were also tested for inhibitory properties against four enzymes of metabolic significance: Glucose-6-Phosphate Deshydrogenase (G6PD), human erythrocyte Carbonic anhydrase I and II (hCA I and hCA II), Glutathione S-transferase (GST). Compound 4 showed highly potent inhibitory property against the four tested enzymes with overall IC₅₀ values below 4 µM and inhibitory constant (Ki) <3 µM.

Non-isocyanate polyurethane synthesis by non-Sn catalysis is an essential challenge toward green polyurethane synthesis. Bismuth compounds are attractive candidates due to their low cost, low toxicity, and availability to urethane chemistry. We applied various Bi catalysts to the self-polycondensation of a bishydroxyurethane monomer and found BiCl3 to be an excellent catalyst through optimization. The catalytic activity and price of BiCl3 are comparable to those of Bu2SnO, while its toxicity is significantly low. BiCl3 is, therefore, a promising alternative to Sn-based catalysts in non-isocyanate polyurethane synthesis.

The graphene based highly conductive and flexible devices has received momentous attraction and growth in recent years for potential multifunctional uses. The development of flexible and washable textile sensors, actuators, energy storage and energy harvesting systems. Textile fabrics coated with graphene and conductive polymers have been used for wearable self-powered e-textiles, such as tribo-electric, piezoelectric, and Thermoelectric. Herein this research, 100% woven cotton fabric is Fictionalized with graphene oxide (GO) using industrial-scale cold pad batch dyeing technique for the development of low-grade body heat into self-powered wearable e-textiles. The conductive polymer PEDOT: PSS was coated using layer by layer approach. The study demonstrates that the resultant textile electrodes showed reduced electrical sheet resistance from 2.5 MΩ to 15KΩ, with a reduced graphene oxide and further reduced to (2.5 -12.5 Ω) for conductive polymer. The sheet resistance was decreased with the number of dyeing cycles (10-15) and increased with 20 washing cycles vice versa. The study demonstrates that the sensor response and performance were improved with increasing the content percent of rGO and PEDOT: PSS. The tensile strength of as coated fabric electrodes was improved from (25.0-85.5 mPa) and fabric thickness was increased to (26-38µm) without compromising or influencing the air permeability. The resultant textile electrodes may potentially be used in smart textiles for self-powered flexible wearable generators, sensors, and energy storage. The study demonstrates that the cold pad batch dyeing method is a suitable and effective method for the fabrication of graphene-based textiles.

Abstract. Results of research into four-membered phosphorus(V)-heterocycles, 2-halogen-1,2λ⁵-oxaphosphetanes are presented. The preparation of 2-halo-1,2λ⁵-oxaphosphetanes by reaction of P-haloylides with carbonyl compounds is described. The mechanism of asynchronous [2+2]-сycloaddition of ylides to aldehydes was proposed on the base of low-temperature NMR investigations. 2-Halogen-1,2λ⁵-oxaphosphetanes were isolated as individual compounds and their structures were confirmed by ¹Н, ¹³C, ¹⁹F and ³¹Р NMR spectra. These compounds are convenient reagents for preparing of various organic and organophosphorus compounds hardly available by other methods. Chemical and physical properties of the 2-halo-1,2λ⁵-oxaphosphetanes are reviewed. The 2-chloro-1,2λ⁵-oxaphosphetanes depending on substituents at the α-carbon atom rearrange with formation of 2-chloroalkylphosphonates or convert into trans-phosphorylated alkenes. Prospective synthetic applications of 2-halo-1,2λ⁵-oxaphosphetanes are analyzed. The 2-halo-1,2λ⁵-oxaphosphetanes may be easily converted to various alkenylphosphonates: allyl- or vinylphosphonates, phosphorus ketenes, thioketenes, ketenimines.

In wheeled vehicles, there exists a challenge concerning the alignment of the front wheels during turns. When both wheels are turned to the same extent, the inner wheel experiences lateral slippage on the road surface, resulting in reduced steering efficiency. Such problems can be solved by using the Ackermann principle. There are two approaches: through the steering mechanism or by employing autonomous wheel control. From a technical standpoint, it is achievable to synthesize a steering mechanism that fulfills the Ackermann condition, ensuring as accurately as possible for any given turning radius. This research paper focuses on synthesizing a steering mechanism, specifically a two-circuit linkage that links the left and right wheels. The structure and kinematics of this mechanism are being investigated. Following the principles of Ackermann, an objective function for the kinematic synthesis of the mechanism has been formulated. The synthesis process of the mechanism is conducted using the analytical method of interpolation in four parameters. A dedicated method has been developed, and kinematic analysis of the mechanism using the synthesized parameters has been performed. The simulation results have demonstrated high accuracy in achieving the desired implementation of the Ackermann condition.

Green synthesis of silver nanoparticles (AgNPs) using raw Whey has never been reported. Silver nanoparticle formation involves a reduction reaction of silver salt solution with Whey extract. Extract and metal salt concentrations, and temperature can control this reaction. In this work, incubation period, extract, AgNO3, and NaOH concentrations were used as the independent factors using central composite design under response surface methodology. The aim was to elucidate the influence these factors have on the measured UV-Vis absorption spectra fitted with a Voigt function, and to optimize the conditions for nanoparticle formation. The fitting parameters, peak wavelength (λ0), peak area (A), and Full Width at Half Maximum (FWHM), were the responses. Silver nanoparticle formation was only possible in an alkaline environment (pH 10). The peak wavelength and the FWHM are influenced mainly by extract and AgNO3 concentrations. In contrast, the peak area is influenced by a total of 33.54 % from the interaction terms of AgNO3 and extract concentrations with NaOH. Metallic AgNPs were formed for the following parameter ranges: a) Whey (0.4 – 1.6 % v/v), b) AgNO3 (0.15 – 0.6 mM), c) NaOH (10 – 50 mM), and d) Time (20 – 60 min). Silver oxide nanoparticles were also observed.

The band gap research in graphene is still a very important topic for materials application. Here, we report a band gap opening and p-type semiconducting property of the graphene by using an electrochemical doping on graphene surface. The manganese-oxide nanopar-ticles adsorbed on the graphene were used as the dopants in an electrolyte, which induce the band gap opening and the change of electronic structure. In addition, the fabricated graphene FET shows the p-type semiconductor behaviors. The temperature dependent conductivity of the p-type doped graphene at applied potential of 1.5 V during electro-chemical doping shows the formation of band gap of 0.23 eV, which is obtained from the fitting of conductivity equation. The semiconducting properties of manganese-oxide doped graphene is attributed to the formation of manganese-oxide nanoparticle on the surface of graphene.

Some peptide-based drugs including oxytocin, vasopressin, ziconotide, pramlintide, nesiritide, and octreotide, contain one intramolecular disulfide bonds. A novel and reusable monodispersed silica nanosphere-supported Pt(IV) complex (SiO2@TPEA@Pt(IV)) was synthesized via a four-step procedure and used for formation of intramolecular disulfide bonds in peptides. TEM and chemical mapping results for the Pt(II) intermediates and for SiO2@TPEA@Pt(IV) show that the silica nanospheres possess a monodisperse spherical structure and contain uniformly distributed Si, O, C, N, Cl, and Pt. The valence state of Pt on the silica nanospheres was characterized by XPS. The Pt(IV) loaded on SiO2@TPEA@Pt(IV) was 0.15 mmol/g, as determined by UV-vis spectrometry. Formation of intramolecular disulfides in six dithiol-containing peptides of variable lengths by use of SiO2@TPEA@Pt(IV) was investigated and the relative oxidation yields were determined by HPLC. In addition, peptide 1 (Ac-CPFC-NH2) was utilized to study the reusability of SiO2@TPEA@Pt(IV). No significant decrease in the relative oxidation yield was observed after ten reaction cycles. Moreover, the structure of SiO2@TPEA@Pt(IV) after being used ten cycles was determined to be similar to its initial one, demonstrating the cycling stability of the complex.

The application potential of cellulosic materials in natural composites and other fields needs to be explored to develop innovative, sustainable, lightweight, functional biomass materials that are also environmentally friendly. This study investigated Typha augostifolia (Typha sp.) as a potential new raw material for extracting cellulose nanocrystals (CNCs) for application in wastewater treatment composites. Alkaline treatments and bleaching were used to remove cellulose from the stem fibers. The CNCs were then isolated from the recovered cellulose using acid hydrolysis. The study showed a few distinct functional groups (O-H, -C-H, =C-H and C-O, and C-O-C) in the Fourier Transform Infrared (FTIR) spectra. Scanning electron microscope (SEM) revealed the smooth surface of CPC and CNCs that resulted from removing lignin and hemicellulose from powdered Typha augostifolia. Based on the crystalline index, the powdered Typha augostifolia, CPC, and CNCs were 42.86%, 66.94% and 77.41%. The loss of the amorphous section of the Typha sp. fiber resulted in a decrease in particle size. It may be inferred from the features of a Typha sp. CNC that CNCs may be employed as reinforcement in composites for wastewater treatment.

This study presents a reproducible and scalable method for synthesizing silica nanoparticles (SNPs) with controlled sizes below 200 nm, achieved by systematically varying three key reaction parameters: ammonium hydroxide concentration, water concentration, and temperature. SNPs with high monodispersity and controlled dimensions were produced by optimizing these factors. The results indicated a direct correlation between ammonium hydroxide concentration and particle size, while higher temperatures resulted in smaller particles with increased polydispersity. Water concentration also influenced particle size, with a quadratic relationship observed. This method provides a robust approach for tailoring SNP sizes, with significant implications for biomedical applications, particularly in drug delivery and diagnostics. Using eco-friendly solvents such as ethanol further enhances the sustainability and cost-effectiveness of the process.

A comprehensive kinetic model of the Fischer-Tropsch synthesis (FTS) is developed in a fixed bed reactor under operating conditions (temperature, 230–235°C, pressure, 20–25 bar, gas hourly space velocity, 4000–5000 cm³(STP)/h/g_catalyst ,H₂/CO feed molar ratio, 2.1) over a Co based catalyst. Reaction rate equations based on Eley-Rideal (ER) type model for initiation step and Langmuir-Hinshelwood-Hougen-Watson (LHHW) type model for propagation and termination steps of the FTS reactions have been considered and the readsorption of olefins were taken into account. The model that was reported in the literature was modified in order to explain many significant deviations from the ASF distribution. Optimum parameters have been obtained by Genetic Algorithms (GA). The calculated activation energies to produce n-paraffins and 1-olefins were in the range of 82.24 to 90.68 kJ/mol and 100.66 to 105.24 kJ/mol, respectively. The hydrocarbon distribution in FTS reactions was satisfactorily predicted particularly for paraffins.

In this paper, we investigate various graphene monolayer nanomesh structures (diodes) formed only by nanoholes, with a diameter of just 20 nm and etched from the graphene layer in different shapes (such as rhombus, bow-tie, rectangle, trapezoid, and triangle), and their electrical properties targeting electromagnetic energy harvesting applications. In this respect, the main parameters characterizing any nonlinear device for energy harvesting are extracted from tens of measurements performed on a single chip containing the fabricated diodes. The best nano-perforated graphene structure is the triangle nanomesh one, which exhibits remarkable performance in terms of its characteristic parameters, i.e., a 420 Ω differential resistance for optimal impedance matching to an antenna, a high responsivity greater than 1000 V/W, and a low noise equivalent power of 847 pW/√Hz at 0 V.

In the frame of our diversity-oriented research on multitarget small molecule anticancer agents, utilizing convergent synthetic sequences terminated by Sonogashira coupling reactions, a preliminary selection of representative alkyne-tethered vindoline hybrids was synthesized. The novel hybrids with additional pharmacophoric fragments of well-documented anticancer agents, including FDA-approved tyrosine-kinase inhibitors (imatinib and erlotinib) or ferrocene or chalcone units, were evaluated for their antiproliferative activity on malignant cell lines MDA-MB-231 (triple negative breast cancer), A2780 (ovarian cancer), HeLa (human cervical cancer) and SH-SY5Y (neuroblastoma) as well as human embryonal lung fibroblast MRC-5 served as reference non-malignant cell line for the assessment of the therapeutic window of the tested hybrids. The biological assays identified a trimethoxyphenyl-containing chalcone-vindoline hybrid (36) as a promising lead compound exhibiting submicromolar activity on A2780 cells with a marked therapeutic window. These results suggest that ovarian cancer might be considered as a prioritized target of treatment with 36.

The growing production and application of carbon-based nanomaterials (CNMs) represent possible risks for aquatic systems. However, the variety of CNMs with different physical and chemical properties, and different morphology complicated the understanding of their potential toxicity. This paper aims to evaluate and compare the toxic impact of four most common CNMs, namely multiwalled carbon nanotubes (CNTs), fullerene (C60), graphene (Gr), and graphene oxide (GrO) in marine microalgae Porphyridium purpureum. The microalgae cells were exposed to the CNMs for 96 h and measured by flow cytometry. Based on the obtained results, we determined no observed effect level (NOEL), calculated EC10 and EC50 concentrations for growth rate inhibition, esterase activity, membrane potential, and reactive oxygen species (ROS) generation changes for each tested CNMs. According to the sensitivity (growth rate inhibition) of P. purpureum, the used CNMs can be listed in following order: CNTs &gt; GrO &gt; Gr &gt; C60. The toxicity of CNTs was significantly higher than the toxic effect of the other used CNMs and only this sample caused increase of ROS generation in microalgae cells. This effect caused by trace metal residuals in CNTs and high affinity between particles and microalgae associated with the presence of exopolysaccharide coverage on P. purpureum cells.

For the first time, few-layer graphene (FLG) nanosheets were synthesized by the method of self-propagating high-temperature synthesis (SHS) from biopolymers (starch and lignin). We suggested that biopolymers (lignin, tree bark) and polysaccharides, in particular starch, could be an acceptable source of native cycles for the SHS process. The carbonization of biopolymers under the conditions of the SHS process was chosen as the basic method of synthesis. Chemical reactions, under the conditions of the SHS process, proceed according to a specific mechanism of nonsothermal branched-chain processes, which are characterized by the joint action of two fundamentally different process-accelerating factors - avalanche reproduction of active intermediate particles and self-heating. The method of obtaining FLG nanosheets included the thermal destruction of hydrocarbons in a mixture with an oxidizing agent. We used biopolymers as hydrocarbons and ammonium nitrate as an oxidizing agent. Thermal destruction was carried out in the mode of SHS, heating the mixture in a vessel at a speed of 20–30 oC/min to 150-200 oC and keeping at this temperature for 15–20 min with the discharge of excess gases into atmosphere. A combination of spectrometric research methods, supplemented by electron microscopy data, has shown that the particles of the carbonated product powder in their morphometric and physical parameters correspond to FLG nanosheets. An X-ray diffraction analysis of the indicated FLG nanosheets was carried out, which showed the absence of formations with a graphite crystal structure in the final material. The surface morphology was also studied and the features of the IR absorption of FLG nanosheets were analyzed. It is shown that the developed SHS method makes it possible to obtain FLG nanosheets with linear dimensions of tens of microns and a thickness of not more than 1-5 graphene layers (several graphene layers).

Demand for environmentally friendly types of energy is growing all over the world, which naturally increases the intensity of work on the production of hydrogen-containing fuel mixtures. Steam reforming of methanol is one of the most effective areas of research, as it is a process with low energy consumption. The results of steam reforming of methanol on the catalysts prepared by solution combustion synthesis (SCS) and impregnation by moisture capacity are presented. Investigation of the activity of Cu-Ce-Al catalysts of different composition was carried out for production of hydrogen and comparison of SCS with traditional impregnation method. Methanol conversion reaches 99%, while the selectivity of H2 was 88%, at 500 °C. It was found that CuAl2O4 spinel formation is due to substitution of Al3+ with Cu2+ Ce3+ cations. A consequence CuAl2O4 and CeAlO3 lattice parameters increase because of difference in ionic radius of Al3+ (0.53 Å) and Cu2+ (0.73 Å), Ce3+ (1.07 Å). Advantages of SCS catalysts in steam reforming of methanol were shown. The aim of this research is to develop a new catalyst for conversion of methanol into hydrogen containing fuel mixtures, which will further promote the organization of a new era of environmentally friendly energy-saving production methods.

Solvent free copolymerization of epoxides derived from fatty acid esters of waste cooking oil with phthalic anhydride using (salen)CrIII Cl as catalyst and n-Bu4NCl/DMAP as co-catalyst was carried out for the first time under microwave irradiation, where reaction time was reduced from number of hours to minutes. The polyesters were obtained with molecular weight (Mw = 3084-6740 g/mol) and dispersity values (D = 1.18-1.92), when (salen)CrIII Cl/n-Bu4NCl was used as catalysts. While in case of DMAP as a co-catalyst, polyesters with improved molecular weight (Mw = 5537-6925 g/mol) and narrow dispersity values (D = 1.07-1.28) were obtained even at reduced concentrations of (salen)CrIII Cl and DMAP. The obtained products were characterized and evaluated by attenuated total reflection-fourier transform infrared spectroscopy (ATR-FTIR), proton nuclear magnetic resonance (1H-NMR) spectroscopy, gel permeation chromatography (GPC) and thermogravimetric analysis (TGA) Techniques.

Highly-doped graphene samples show the conductance reduced and the shot-noise power enhanced compared to standard ballistic systems in two-dimensional electron gas. These features can be understood within a model assuming incoherent scattering of Dirac electrons between two interfaces separating the sample and the leads. Here we find, by adopting the above-mentioned model for the edge-free (Corbino) geometry and by means of the computer simulation of quantum transport, that another graphene-specific feature should be observable when the current flow through a doped disk is blocked by high magnetic field. In case the conductance drops to zero, the Fano factor approaches the value of $F\approx{}0.56$, with a very weak dependence on the disk radii ratio. The role of finite source-drain voltages and the system behavior upon tuning the electrostatic potential barrier from a rectangular to parabolic shape are also discussed.

Reducing CO2 emissions is urgently needed to slow down the impacts of climate change. CO2 capture using an amine solution has been developed and implemented on pilot and commercial scales. However, amine scrubbing, in particular, produces a lot of degraded solvent as waste and is energy intensive. Solid sorbents have been called to overcome those drawbacks. In this work, waste biomass-derived carbon materials were developed and tested for CO2 capture and conversion. Advanced thermal chemical processes i.e. hydrothermal and pyrolysis were applied to produce materials from agri-food waste such as soybean and okara. It was found that the number of functional groups (-C=O and -OH) in activated carbon appears in the synthesized materials, implying the generation of surface oxygenated groups. Preliminary results showed that the synthesized activated carbons are obtained with good yields, and a relatively high surface area, which may be applied as CO2 adsorption materials to solve the CO2 emission problems.

The advancement of performance in the domain of flexible wearable strain sensors has become increasingly significant due to extensive research on laser-induced graphene (LIG). An innovative doping modification technique is required owing to the limited progress achieved by adjusting laser parameters to enhance LIG’s performance. By pre-treating with AgNO3, we successfully manufactured LIG with a uniform dispersion of silver nanoparticles across its surface. The experimental results for the flexible strain sensor exhibit exceptional characteristics, including low resistance (183.4 Ω), high sensitivity (426.8), a response time of approximately 150 ms, and a relaxation time of about 200 ms. Moreover, this sensor demonstrates excellent stability under various tensile strains and remarkable repeatability during cyclic tests lasting up to 8,000 s. Additionally, this technique yields favorable results in finger bending and hand back stretching experiments, holding significant reference value for preserving the inherent characteristics of LIG preparation in a single-step and in situ manner.

This paper presents the work done to transition the lab scale synthesis (1 g) to a large scale (400 g) synthesis of the 3-5-diamino-1H-Pyrazole Disperazol; a new pharmaceutical for treatment of antibiotic resistant Pseudomonas aeruginosa biofilm infections. The potentially hazardous diazotisation step in the lab scale synthesis was transformed to a safe and easy to handle flow chemistry step. Additionally, the paper presents an OSHA recommended safety assessment of the active compound E, performed by Fauske and Associates, LLC.

The objective of this work was to investigate the deacidification of bio-oils (BOs) from triglyceride-based biomass through the application of liquid-liquid extraction (LLE) in a simple stage, using methanol and water as a binary solvent and feed/solvent ratio of 1/1. For this, the effects of process parameters such as the water content present in the solvent, the content of carboxylic acids present in the bio-oil, and the extraction temperature on the deacidification process through the efficiency and distribution coefficient were evaluated, as well as the effects of such parameters on the quality of deacidified bio-oils through physical-chemical analyzes and GC-MS analysis. The results show that such process parameters significantly affect the quality of deacidified bio-oils. The ideal condition to have the highest acid removal, i.e., the highest deacidification efficiency (72.65%), is the one in which the deacidification process is performed with aqueous methanol (5% water) at 35 °C and for BOs that have a total acid number (TAN) equal to 24.38 mg KOH/g. Therefore, the process of deacidification by LLE using aqueous methanol is a promising alternative for removing carboxylic acids and other oxygenated compounds, contributing significantly to the upgrading or improving biofuels produced by catalytic thermal cracking.

Rice prolamins are categorized into three groups by molecular size (10, 13, or 16 kDa), while the 13 kDa prolamins are assigned to four subgroups (Pro13a-I, Pro13a-II, Pro13b-I, and Pro13b-II) based on cysteine residue content. Here, we generated four knockout strains of rice using CRISPR-Cas9, each of which demonstrated selectively reduced expression of specific subgroups of the 13 kDa prolamins. These four mutant rice lines also demonstrated compensatory expression of glutelins and non-targeted prolamins, which resulted in low grain weight, altered starch content and atypically-shaped starch granules and protein bodies. Transcriptome analysis identified 746 transcripts that were differentially expressed in the mutant rice lines during development. These transcripts played roles primarily in RNA processing, protein synthesis, stress response, and transport. After selective suppression/knockout of genes in the Pro13a-I subgroup, compensatory upregulation of genes in the Pro13a-II and Pro13b-I/II subgroups was observed. Compensatory expression of 9 ER stress and 17 transcription factor genes was also observed in mutant rice in which expression of 13 kDa prolamin genes was suppressed. Our results provide valuable insight into the regulatory mechanisms underlying rice seed development and the specific roles played by 13 kDa rice prolamins and their target genes.

The targeted compounds in this research, resveratrol analogs 1–14 were synthesized as mixtures of isomers by the Wittig reaction using heterocyclic triphenylphosphonium salts and various benzaldehydes. The planned compounds were those possessing the trans-configuration as the biologically active trans-resveratrol. The pure isomers were obtained by repeated column chromatography in various isolated yields depending on the heteroaromatic ring. It was found that butyrylcholinesterase (BChE) was more sensitive to the heteroaromatic resveratrol analogs than acetylcholinesterase (AChE), except for 6, the methylated thiophene derivative with chlorine, which showed equal inhibition toward both enzymes. Compounds 5 and 8 achieved the highest BChE inhibition with IC50 values of 22.9 and 24.8 μM, respectively. The same as with AChE and BChE, methylated thiophene subunits of resveratrol analogs showed better enzyme inhibition than unmethylated ones. Two antioxidant spectrophotometric methods, DPPH and CUPRAC, were applied to determine the antioxidant potential of new heteroaromatic resveratrol analogs. Molecular docking of these compounds was conducted to visualize the ligand-active site complexes' structure and identify the non-covalent interactions responsible for the complex's stability, which influence the inhibitory potential. As ADME properties are crucial in developing drug product formulations, they have also been addressed in this work. The potential genotoxicity is evaluated by in silico studies for all compounds synthesized.

Background: The study demonstrates the sustainable synthesis of translucent zinc oxide (ZnO) nanowires using Moringa seed extract, highlighting eco-friendly and sustainable approaches. Methods: Characterization techniques such as X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive spectroscopy (EDS), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) confirmed the formation of ZnO nanostructures with diverse morphologies, including nanowires and spherical clusters. Results: The synthesized ZnO nanowires exhibited remarkable photocatalytic activity, achieving over 89% degradation efficiency of methylene blue (MB) under UV light within 80 minutes, demonstrating their potential for wastewater treatment applications. Conclusions: The research findings support Sustainable Development Goals (SDGs) related to clean water, climate action, and life below water and on land, highlighting the role of eco-friendly nanostructures in environmental remediation. The dual advantage of Moringa seed extract, providing both a sustainable synthesis route and health benefits due to its rich content of vitamins and phytochemicals, underscores the potential of integrating natural resources in nanotechnology for environmental and health applications.

Atmospheric pressure Microplasma is a simple, cost-effective, efficient, and eco-friendly procedure, which is superior to the traditional nanomaterials synthesis techniques. It generates high yields and allows for a controlled growth rate and morphology of nanomaterials. The silver (Ag) nanomaterials, with their unique physical and chemical properties, exhibit outstanding antibacterial and anti-fungal properties. Similarly, zinc oxide (ZnO) nanomaterials, known for their low toxicity and relatively lower cost, find wide applications in wound repair, bone healing, and antibacterial and anticancer applications. The use of core-shell nanomaterials in certain situations where some nanoparticles can cause serious harm to host tissues or organs is a testament to their potential. A benign material is coated over the core to reduce toxicity in these cases. This review compares the numerous configurations of microplasma systems used for synthesizing nanomaterials and their use in producing Ag, ZnO, and their core-shell (Ag-ZnO) nanomaterials for biomedical applications. The summary also includes the effect of control parameters, including cathode diameter, gas flow rate, precursor concentration, voltage, and current, on the nanomaterial's characteristics and applications. In addition, it provides a research gap in the synthesis of Ag, ZnO, and core shall nanomaterials by this technique, as well as the development and limitations of this technique and the use of these nanoparticles for biomedical applications.

A four-step synthesis of bifunctional, noncovalent organocatalysts based on the chiral (1R,2R)-cyclohexane-1,2-diamine scaffold containing a 1,2-benzenediamine H-bond donor was developed. Nucleophilic aromatic substitution of the 2-fluoronitrobenzene derivative with the commercial (1R,2R)-cyclohexane-1,2-diamine was followed by selective alkylation of the primary amino group, reduction of the aromatic nitro group and final derivatization of the primary aromatic amino group, i.e. acylation, sulfonation, reductive alkylation and arylation, leading to the four subtypes of organocatalysts. All new compounds were fully characterized. The prepared organocatalysts (32 examples) were tested in the Michael addition of acetylacetone to trans-β-nitrostyrene, yielding the addition product with incomplete conversions (up to 93%) and enantioselectivities of up to 41% ee.

Medicinal plants produce various bioactive molecules with potential anticancer properties with favorable safety profiles. We investigated the comprehensive composition of Vernonia amygdalina leaf extract and its cytotoxic effects via apoptosis in HeLa cells. The metabolomics approach was conducted to gather the metabolite profile of the extract. Proteomics was performed to understand the comprehensive mechanistic pathways of action. The apoptosis was visualized by cellular staining and the apoptotic proteins were evaluated. V. amygdalina leaf extract exhibited dose-dependent cytotoxic effects on both HeLa and Vero cells after 24 h of exposure, however, a higher concentration was required for Vero cells cytotoxicity. The metabolomic profile indicated that majority of metabolites were alkaloids, phenolic compounds, and steroids. The cytotoxic pathways involved the response to stress and cell death which was similar to doxorubicin. The upstream regulatory proteins, PTEN and XBP1, were significantly altered supporting the regulation of apoptosis and cell death. The levels of apoptotic proteins, JNK, p53, and caspase-9 were significantly increased. These provided strong evidence that V. amygdalina leaf extract related to the induction of apoptosis and highlighted its potential for the development of chemotherapy.

Calcium phosphates and manganese phosphates play a significant role in biomedical and engineering applications, and these compounds are both synergistic. These compounds could have great potential for use in different applications, particularly as precursors of biomaterials. Therefore, the aim of this study was to explore the effect of the gradual replacement of Ca2+ with Mn2+ on the phase composition and crystal structure of brushite (CaHPO4·2H2O), which could be useful for the production of Mono- and Biphasic Ca1−xMnxHPO4·nH2O Compounds. In order to prepare the starting solutions required for this study, Ca(NO3)2·4H2O, (NH4)2·HPO4, and Mn(NO3)2·4H2O were used at various molar concentrations. Afterwards, the Ca1−xMnxHPO4·nH2O compounds were prepared using dissolution and precipitation methods. These compounds were characterized using XRD, SEM, FT-IR, XPS, and TGA techniques. The findings revealed that Mn substituted Ca partially at low Mn/Ca molar ratios, 0.25, and Mn doping increased the unit cell of CaHPO4·2H2O. The produced biphasic compound was composed of monoclinic CaHPO4·2H2O and nanostructured orthorhombic MnHPO4·(H2O)3 after a continuous increase in the Mn/Ca molar ratio to 1.5. When the Ca/Mn molar ratio was above 1.5, a monophasic compound of the MnHPO4·(H2O)3 phase was formed. The MnHPO4·(H2O)3 compound was successfully prepared for the first time using this dissolution-precipitation method. It was also established that the Mn/Ca ratio of the starting solution can be modified to produce CaHPO4·2H2O and MnHPO4·(H2O)3 phases with specific weight percent compositions.

In recent years, bacterial resistance to conventional antibiotics has become a major concern in the medical field. The global misuse of antibiotics in clinics, personal use, and agriculture has accelerated this resistance, making infections increasingly difficult to treat and rendering new antibiotics ineffective more quickly. Finding new antibiotics is challenging due to the complexity of bacterial mechanisms, high costs and low financial incentives for the development of new molecular scaffolds, and stringent regulatory requirements. Additionally, innovation has slowed, with many new antibiotics being modifications of existing drugs rather than entirely new classes. Antimicrobial peptides (AMPs) are a valid alternative to small molecule antibiotics offering several advantages, including broad-spectrum activity and a lower likelihood of inducing resistance due to their multifaceted mechanisms of action. However, AMPs face challenges such as stability issues in physiological conditions, potential toxicity to human cells, high production costs, and difficulties in large-scale manufacturing. A reliable strategy to overcome the drawbacks associate with the use of small molecule antibiotics and AMPs is the combination therapy, namely the simultaneous co-administration of two or more antibiotics or the synthesis of covalently linked conjugates. This review is intended to cover and critically analyze the design, synthetic strategies, antibacterial activity and, when possible, the cytotoxicity of antibiotic-AMPs conjugates.

During the last years there has been a high interest in the development of new purely-organic single-component conductors. Very recently, we have reported a new neutral radical conductor based on the perchlorotriphenylmethyl (PTM) radical moiety linked to a monopyrrolo-tetrathiafulvalene (MPTTF) unit by a -conjugated bridge (1). Interestingly, this system behaves as a semiconductor with high conductivity and small energy gap under high pressure. With the aim of developing a new material with improved conducting properties, we have designed and synthesized the radical dyad 2 which was functionalized with an ethylenedithio (EDT) group in order to improve the intermolecular interactions of the TTF subunits. The physical properties of the new radical dyad 2 were studied in detail in solution to further analyze its electronic structure as well as its potential use as radical conductor in the solid state.

Nanoporous membranes promise energy-efficient water desalination. Hexagonal boron nitride (h-BN), like graphene, exhibits outstanding physical and chemical properties, making it a promising candidate for water treatment. We employed Car–Parrinello molecular dynamics simulations to establish accurate modeling of Na+ and Cl- permeation through hydrogen passivated nanopores in graphene and h-BN membranes. In these complex systems the classical potentials cannot properly account for the physics at play. We demonstrate that ion separation works well for the h-BN by imposing a barrier of 0.13 eV and 0.24 eV for Na+ and Cl- permeation respectively, compared to the graphene where the Cl- ion faces a negative barrier of 0.68 eV and is prone toward blockade and Na+ permeation is associated with a slightly negative barrier of 0.03 eV. From the change in the solvation shell, we get the following trend: Na/h-BN > Na/G > Cl/G > Cl/h-BN. We argue that the trend in the permeation barrier changes to Cl-h-BN > Na-h-BN > Na-G > Cl-G due to a combination of several interactions, including the distortion of the water network induced by the ions, the ion-water interaction, and the ion-nanopore interaction. Overall, the desalination performance of h-BN surpasses that of their graphene counterparts.

Reactions of quinones with compounds containing an amino group can produce a wide variety of addition or substitution products that depend on reactivity of both quinone and amino derivative. 6,7-Dichloropyrido[1,2-a]benzimidazole-8,9-diones undergo selective nucleophilic substitution reaction with different benzohydrazides and α-hydroxy-p-quinone imine derivatives stabilized by strong intramolecular hydrogen bond were isolated. Synthesized compounds represent a combination of several structural motifs: benzimidazole core fused with α-hydroxy-p-quinone imine which contains a benzamido fragment. The protonation/deprotonation processes were investigated in a solution using UV-Vis spectroscopy and 1H NMR titration experiment. X-ray crystallography analysis revealed a set of weak non-covalent interactions such as intra- and intermolecular hydrogen bonds and π-π stacking. Additionally, the redox behavior of 6,7-dichloropyrido[1,2-a]benzimidazole-8,9-dione and its p-imino derivative was investigated in acidic and neutral environment using cyclic voltammetry measurements. Cathode material based on 6,7-dichloropyrido[1,2-a]benzimidazole-8,9-dione could act as potential effective active electrode in aqueous electrolyte batteries, however further optimization is required.

Three-dimensional graphene (3DG) sponge has attracted increasing attention because it combines the unique properties of cellular materials and the excellent performance of graphene. The preparation of 3DG sponge depends mainly on the self-assembly of graphene oxide sheets. Here, we demonstrate facile fabrication of 3DG sponge with a large-scale and ordered porous structure, exploiting the liquid crystals of large graphene oxide (LGO) and ultralarge graphene oxide (ULGO) sheets. The resulting materials exhibit a low density, high porosity and elasticity. Our work explores a new strategy for organizing the ordered alignment of controlled large GO sheets and exploring the relationship between the microstructures and mechanical properties of 3DG sponge.

As a derivative of graphene, graphene oxide (GO) was initially developed by chemists to emulate some of the key properties of graphene, but it was soon recognized as a unique material in its own right, addressing an application space that is not accessible to chemical vapor deposition based materials. Over the past decade, GO has emerged as a new frontier material with tremendous advances in its material fabrication and quality control over its properties. These in turn have led to rapid progress in GO based photonics, electronics, and optoelectronics concepts and devices, evoking new science and paving the way for many technological breakthroughs with exceptional performance. Here, we review the unique fundamental characteristics of GO, its thin film fabrication methods, patterning techniques, and mechanisms for tuning its material properties. This latter capability in particular has enabled novel advanced functional photonic, electronic, and optoelectronic devices. Understanding these insights is essential for designing and tailoring GO properties for state-of-the-art applications including solar energy harvesting, energy storage, medical diagnosis, image displays, and optical communications. We conclude by discussing the open challenges and exciting opportunities of this field, together with future prospects for major technological advancements and breakthroughs.

Graphene-oxide (G) was prepared by the Hummers’ method. A G-COOH layer was synthesised using chloroacetic acid and G. To fabricate carboxylated graphene-RuO2 (G-COORu) nano¬¬-composites, RuO2 nano particles were grown on graphene layers using a one-step thermal method, -COOH(G-COOH), and RuCl3. All materials were characterised using X-ray diffraction, transmission electron microscopy, scanning electron microscopy, 13C-nuclear magnetic resonance as well as X-ray photoelectron, Fourier-transform infrared spectroscopy, and Raman. The electrochemical characteristics of the G-COORu supercapacitors were analysed using electrochemical impedance spectroscopy, cyclic voltammetry, constant current charge–discharge tests, and Nyquist impedance plots. The supercapacitors exhibit a specific capacitance of ~125 F g-1 at 100 mA cm-2 within the potential range of 0–1.0 V. The method used here provides a simple approach for the deposition of RuO2 nano particles on graphene layers and can be widened to the fabrication of other classes of hybrids based on G layers for specific technical applications.

In this review we explore the recent progress in catalytic materials for ammonia synthesis that are based on metal nitrides and other catalytic surfaces. It comprises a detailed overlook of various techniques used in ammonia synthesis research and the state-of-the-art modeling techniques employed to investigate new reaction mechanisms and more efficient processes for sustainable ammonia synthesis production. The review is discussed in the context of reaction mechanisms developed and recent progress that has been made with respect to thermal, electrochemical and photocatalytic ammonia synthesis.

Phosphatidylserine (PS) has significant applications in various sectors, such as the medical and food industries. However, its production relies heavily on phospholipase D (PLD), a crucial tool that is hindered by issues like poor stability and irrecoverability. Immobilization presents itself as an effective solution to overcome these limitations. In this study, magnetic graphene oxide (MGO) modified with amino (-NH₂) were synthesized and utilized for PLD immobilization. The activity of the immobilized PLD (MGO-PLD) reached 3062 U/g_MGO, with a specific activity of 33.9 U/mg_PLD, virtually identical to that of the free PLD. MGO-PLD was utilized to synthesize PS efficiently in a biphasic system. Under optimal conditions, PS yield reached 18.66 g/L, with a conversion rate of 92.8% and a productivity of 3.11 g/L/h. Notably, MGO-PLD retained an impressive PS conversion rate of 77.4% even after seven repetitive usages. Moreover, MGO-PLD displayed enhanced thermal and pH resistance properties compared to free PLD, alongside an augmented storage stability. Post a 8-week preservation at 4°C, its residual activity was able to maintain at 76.3%. This study provides a sustainable and highly efficient pathway for biocatalytic synthesis of PS.

Candidiasis is considered an emerging public health concern because of the occurrence of drug-resistant Candida strains and the lack of available structurally diverse antifungal drug armamentariums. The indole alkaloid globospiramine from the anticandidal Philippine medicinal plant Voacanga globosa exhibits a variety of biological activities; however, its antifungal properties remain to be explored. In this study, we report the in vitro antifungal activities of globospiramine against Candida albicans and Candida tropicalis and explore its possible target proteins using in silico methods. The colony-forming unit (CFU) viability assay revealed time- and concentration-dependent anticandidal effects of the alkaloid by decreasing almost 50% of the viable CFUs 60 min after treatment. Results of the MIC and MFC assays indicated inhibitory and fungicidal effects of globospiramine against C. albicans (MIC = 8 µg/mL; MFC = 4 µg/mL) and potential fungistatic effects against C. tropicalis at lower concentrations (MIC = 4 µg/mL; MFC &gt; 64 µg/mL). The FAM-FLICA poly-caspase assay showed metacaspase activation in C. albicans cells at concentrations of 16 and 8 µg/mL, which agreed with the MIC and MFC values. Molecular docking and molecular dynamics simulation experiments indicated stable, strong binding of globospiramine with the target proteins 1,3-β-glucan synthase and Als3 adhesin enzymes, which are indirectly involved in apoptotic-driven candidal inhibition.

Macroalgae seaweeds such as Ulva lactuca and Gracilaria verrucosa cause problems on the Northern Coast of the Italian Adriatic Sea because their overabundance hinders the growth of cultivated clams, Rudatapes philippinarum. This study focused on the green synthesis of CuO nanoparticles from U. lactuca and G. verrucosa. The biosynthesized CuO NPs were successfully characterized using FTIR, XRD, HRTEM/EDX, and zeta potential. Nanoparticles from the two different algae species are essentially identical, with the same physical characteristics and almost the same antimicrobial activities. We have not investigated the cause of this identity, but it seems likely to arise from the reaction of Cu with the same algae metabolites in both species. The study demonstrates that it is possible to obtain useful products from these macroalgae through a green synthesis approach and that they should be considered as not just a cause of environmental and economic damage but also as a potential source of income.

PET imaging of bacterial infection could potentially provide added benefit for patient care by non-invasive means. [68Ga]Ga-desferrioxamine B – a radiolabelled siderophore – shows specific uptake by human-pathogenic bacteria like Staphylococcus aureus or Pseudomonas aeruginosa as well as sufficient serum stability for clinical application. Here, we provide data for automated production of [68Ga]Ga-desferrioxamine B on two different cassette based synthesis modules (Modular-Lab PharmTracer and GRP 3V) using commercially available cassettes together with an approved 68Ge/68Ga radionuclide generator. Quality control including determination of radiochemical purity as well as a system suitability test was set up via RP-HPLC on a C18 column. The two described production processes, using an acetic acid/acetate buffer system with ascorbic acid as a radiation scavenger for radiolabelling, yield ready-to-use formulations with sufficient activity yield. Batch data showed radiochemical purity of &gt;95 % as determined by RP-HPLC and ITLC as well as excellent stability over 2 hours post production. Specifications for routine production were set up and validated with four master batches for each synthesis module. Based on this study, an academic clinical trial for imaging of bacterial infection was initiated. Both described synthesis methods enable reproducible, automated in-house production of [68Ga]Ga-desferrioxamine B for clinical application.

Polypyrrole (PPy)-capped caped silver nanowire (Ag NW) nanomaterials (core–shell rod-shaped Ag NW@PPy) were synthesized suing a one–port suspension polymerization technique. The thickness of PPy layer on the 50-nm-thickness/15-μm-length Ag NW was effectively controlled to 10, 40, 50, and 60 nm. Thin films cast from one-dimensional conductive Ag NW@PPy formed a three-dimensional (3-D) conductive porous network structure and provided excellent electrochemical performance. The 3-D Ag NW@PPy network can significantly reduce the internal resistance of the electrode and maintain structural stability. As a result, a high specific capacitance of 625 F/g at a scan rate of 1 mV/s was obtained from the 3-D porous Ag NW@PPy composite film. The cycling performance over a long period exceeding 10,000 cycles was also evaluated. We expect that our core–shell-structured Ag NW@PPy composites and their 3-D porous structure network films can be applied as electrochemical materials for the design and manufacture of supercapacitors and other energy storage devices.

The binomial nomenclature system, introduced by Carl Linnaeus in the 18th century, has been fundamental for scientific communication and data management. Despite its utility, some scientific names reflect historical biases and ethical issues, including colonial legacies, racism, sexism, and derogatory terms. Recent debates highlight the need to address these injustices, with arguments both for and against revising such names. Critics argue that extensive revisions could disrupt scientific stability, while proponents emphasize the moral imperative to correct these issues. In this opinion paper, we advocate for the establishment of a dedicated committee within international nomenclature bodies to revise taxonomic names with clear ethical concerns and recommend the use of persistent identifiers to effectively manage and track name changes, mitigating potential disruptions to taxonomy and the science that depends on it. By adopting transparent revision processes and making use of digital technology, we can address ethical issues without remarkable upheaval. Science should not perpetuate historical injustices, and it is vital for the scientific community to proactively address social injustices in nomenclature to mitigate ongoing debates and resistance.

Molecular transport and quantum tunneling of H2 and H2O molecules through nanoporous gra-phene is studied using computational modeling and first principles density functional theory. It is demonstrated that molecules with sufficiently high kinetic energies can tunnel through the na-nopores. It is also demonstrated that molecules can be trapped in front of the nanopore or behind it. These investigations help us learn the behavior of molecules in and around nanopores of gra-phene. They also help us learn fundamentals of molecular tunneling. We believe, nanoporous gra-phene can play important roles for gas separation and nanofiltration.

The cubic nonlinearity of graphene oxide (GO) monolayer was characterized by open and closed Z-scan using a nano-second laser of 10 Hz repetition rate with a Gaussian spatial beam profile. The reverse saturable absorption or positive nonlinearity from open Z-scan and valley-peak traces or positive nonlinearity from closed Z-scan was displayed. The reverse saturable absorption could be from a two-photon or two-step excitation process due to the larger absorption in the lower visible and upper UV wavelength region compared with the excitation source. The nonlinear absorption and nonlinear refraction coefficient were estimated to be ~ 2.62x10-8 m/W and 3.9x10-15 m2/W, respectively. This study also reveals the effect of nonlinear absorption on nonlinear refraction traces.

Recently, ice with the stacking disorder structure, consisting of random sequences of cubic ice (Ic) and hexagonal ice (Ih) layers, is reported to be more stable than pure Ih/Ic. While, due to a much lower free energy barrier of heterogeneous nucleation, in practice, the freezing process of water is usually controlled by heterogeneous nucleation which is triggered by an external medium. Herein, molecular dynamic simulations were carried out to explore the polymorph dependence of ice on the lattice structure of substrates. It turns out that, during the nucleation stage, the polymorph of ice nuclei can be severely altered by the graphene substrate, on which the Ih was found to occupy an absolute majority in new-formed ice. This can be attributed to the structure similarity between graphene and basal face of Ih. Besides the nucleation stage, our results suggest that the substrate can not affect the polymorph of ice which is far from the graphene surface. The polymorph selectivity of graphene to Ih will diminish with the growth of ice layer.

We provide a detailed analysis of the electronic properties of graphene-like materials with charge carriers living on a curved substrate, focusing in particular on constant negative-curvature spacetime. An explicit parametrization is also worked out in the remarkable case of Beltrami geometry, with an analytic solution for the pseudoparticles modes living on the curved bidimensional surface. We will then exploit the correspondent massless Dirac description, to determine how it affects the sample local density of states.

The implementation of graphene-based electronics requires fabrication processes able to cover large device areas since exfoliation method is not compatible with industrial applications. Chemical vapor deposition of large-area graphene represents a suitable solution having the important drawback of producing polycrystalline graphene with formation of grain boundaries, which are responsible for limitation of the device performance. With these motivations, we formulate a theoretical model of graphene grain boundary by generalizing the graphene Dirac Hamiltonian model. The model only includes the long-wavelength regime of the particle transport, which provides the main contribution to the device conductance. Using symmetry-based arguments deduced from the current conservation law, we derive unconventional boundary conditions characterizing the grain boundary physics and analyze their implications on the transport properties of the system. Angle resolved quantities, such as the transmission probability, are studied within the scattering matrix approach. The conditions for the existence of preferential transmission directions are studied in relation with the grain boundary properties. The proposed theory provides a phenomenological model to study grain boundary physics within the scattering approach and represents per se an important enrichment of the scattering theory of graphene. Moreover, the outcomes of the theory can contribute in understanding and limiting detrimental effects of graphene grain boundaries also providing a benchmark for more elaborated techniques.