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Topic Review
Ab Initio Molecular Dynamics NMR
Molecular dynamics (MD) simulation is a well-established technique used for the study of various chemical substances and mixtures in any state of matter and almost at any temperature and pressure conditions. Its combination with QM NMR calculations can significantly increase the accuracy of the results.
  • 739
  • 27 Apr 2021
Topic Review
Alpha-Ketoglutarate and 5-HMF
Clinical and pre-clinical studies of an anti-tumoral solution containing aKG, 5-HMF, N-acetyl-selenomethionine, and N-acetylmethionine for treating tumors showed, on one hand, good therapeutic efficacy during infusion therapy in prostate cancer patients by increasing the PSA doubling time; on the other hand, a reduction of tumoral mass was shown in lung cancer patients.
  • 739
  • 19 Nov 2021
Topic Review
Nanocrystalline Layer
It was demonstrated that the mechanical shot peening (MSP) technique was a viable way to obtain a nanocrystalline layer on a large size pure titanium plate due to the MSP provided for severe plastic deformation (SPD) of surface high velocity balls impacting. The MSP effects of various durations in producing the surface nanocrystalline layer was characterized by optical microscope (OM), X-ray diffraction (XRD), transmission electron microscope (TEM), and Vickers micro-hardness tester. The results showed that the thickness of the SPD layer gradually increased with the MSP processing time increase, but saturated at 230 μm after 30 min. The average grain size was refined to about 18.48 nm in the nanocrystalline layer. There was equiaxed grain morphology with random crystallographic orientation in the topmost surface. By comparing with the nanocrystalline layer, acquired by surface mechanical attrition treatment (SMAT), the microstructure and properties of the nanocrystalline layer acquired by MSP was evidently superior to that of the SMAT, but the production time was cut to about a quarter of the time used for the SMAT method.
  • 739
  • 15 May 2021
Topic Review
Electrolysis of BO2− into BH4−
The recycling of sodium borohydride poses a huge challenge to the drive towards a hydrogen economy. Mechano-chemical, thermo-chemical and electrochemical are the only reported methods of recycling sodium metaborate into sodium borohydride. Much attention have been devoted towards the mechano-chemical and thermo-chemical methods of reduction, little focus is devoted to electrochemical methods. This research describes the electrochemical behaviour of borohydride (BH4ˉ) and metaborate (BO2ˉ) anion in alkaline solutions. The electrochemical characteristics of BH4ˉ is controlled by the alkaline concentration, the concentration of the BH4ˉ and the type of electrode material. The attempts to electro-reduce the BO2ˉ into BH4ˉ is reviewed and the challenges, suggestions and future outlook of electro-reduction to recycle the BO2ˉ into BH4ˉ is highlighted.
  • 738
  • 16 Jan 2023
Topic Review
Applications of Bioplastics and Reinforced Bioplastics
The introduction of bioplastics has been an evolution for plastic industry since conventional plastics have been claimed to cause several environmental issues. Apart from its biodegradability, one of the advantages can be identified of using bioplastic is that they are produced by renewal resources as the raw materials for synthesis. Nevertheless, bioplastics can be classified into two types, which are biodegradable and non-biodegradable, depending on the type of plastic that is produced. Although some of the bioplastics are non-biodegradable, the usage of biomass in synthesising the bioplastics helps in preserving non-renewable resources, which are petrochemical, in producing conventional plastics. However, the mechanical strength of bioplastic still has room for improvement as compared to conventional plastics, which is believed to limit its application. Ideally, bioplastics need to be reinforced for improving their performance and properties to serve their application. Synthetic reinforcement has been used to reinforce conventional plastic to achieve its desire properties to serve its application, such as glass fiber.
  • 738
  • 05 Jun 2023
Topic Review
Mathematical models predict corrosion inhibition
The use of corrosion inhibitors is an important method to retard the process of metallic attack by corrosion. The construction of mathematical models from theoretical-computational and experimental data obtained for different molecules is one of the most attractive alternatives in the analysis of corrosion prevention, whose objective is to define those molecular characteristics that are common in high-performance corrosion inhibitors.
  • 738
  • 11 Mar 2021
Topic Review
Albumin Nanostructures in Cancer
Albumin is a versatile protein being used widely for developing carriers for drugs and nucleic acids. It provides biocompatibility, tumor specificity, the possibility for surface modification, and reduces toxicity. 
  • 738
  • 23 Jul 2021
Topic Review
Biogenic Silver Nanoparticles
Biogenic silver nanoparticles are environmentally safer compared to particles obtained by chemical or physical methods due to the absence of toxic compounds in the technological process, gentle synthesis conditions and the possibility of utilizing the biomass used in their production. Biogenic silver nanoparticles are capable of self-assembly, including that on various surfaces, and there are mechanisms for controlling their morphology and size. Approaches and methods for obtaining biogenic silver nanoparticles using various parts of plants, algae, fungi and microorganisms have been described.
  • 738
  • 17 Dec 2021
Topic Review
X-ray Photoelectron Spectroscopy
X-ray photoelectron spectroscopy (XPS) is a qualitative and quantitative chemical analysis technique. It is surface-sensitive due to its limited sampling depth, which confines the analysis only to the outer few top-layers of the material surface. This enables researchers to understand the surface composition of the sample and how the chemistry influences its interaction with the environment. 
  • 737
  • 02 Jul 2022
Topic Review
Multivariate Analysis
Multivariate analysis (MA) is becoming a fundamental tool for processing in an efficient way the large amount of data collected in X-ray diffraction experiments. Multi-wedge data collections can increase the data quality in case of tiny protein crystals; in situ or operando setups allow investi-gating changes on powder samples occurring during repeated fast measurements; pump and probe experiments at X-ray free-electron laser (XFEL) sources supply structural characterization of fast photo-excitation processes. In all these cases, MA can facilitate the extraction of relevant in-formation hidden in data, disclosing the possibility of automatic data processing even in absence of a priori structural knowledge.
  • 737
  • 12 Jan 2021
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