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Topic Review
DFT Calculations of XH Stretching Frequencies
X in the title can be either O or N.  Hydrogen bond potentials can be either symmetric or unsymmetric.  The former is the case for CH bonds, whereas for hydrogen bonded systems the potential can be more or less asymmetric depending on the strength of the hydrogen bond. DFT is an abbrviation for Density Functional Theory; CPMD = Car-Parinello Molecular Dynamics and VPT2  = Vibrational Second Order Pertubation Theory.  RAHB = Resonace Assisted Hydrogen Bonding.
  • 732
  • 14 Mar 2022
Topic Review
Biosensing Using SERS Active Gold Nanostructures
Surface-enhanced Raman spectroscopy (SERS) has become a powerful tool for biosensing applications owing to its fingerprint recognition, high sensitivity, multiplex detection, and biocompatibility. This review provides an overview of the most significant aspects of SERS for biomedical and biosensing applications. 
  • 724
  • 01 Nov 2021
Topic Review
Asymmetric Recognition by Chiral Porphyrinoids
Over the years, chiral discrimination of chiral molecules such as amino acids, alcohols, amines, hydroxy-carboxylic acids, etc. has aroused the interest of the scientific community. Thus, numerous studies have reported the possibility to discriminate several organic guests by using both symmetric and asymmetric porphyrin derivatives. Nevertheless, this entry exclusively focuses on chiral porphyrinoids as probes for asymmetric recognition and sensing, illustrating the main aspects concerning the chiral recognition phenomena of a multitude of chiral organic guests through several chiral mono- and bis-porphyrins via different spectroscopic techniques.
  • 689
  • 17 Nov 2021
Topic Review
Vancomycin with Muramyl Pentapeptide
Vancomycin and a native muramyl pentapeptide ended with D-alanine (MPP-D-Ala), and vancomycin and a modified muramyl pentapeptide ended with D-serine (MPP-D-Ser) form complexes in a very specific way. This complexes provide a basis for characterizing the type and stability of the connection. The type of experimentally measured and computer-simulated interactions opens the field for discussion on possible modifications to the structure of vancomycin or muramyl pentapeptide to obtain their desired characteristics.
  • 678
  • 07 Feb 2022
Topic Review
Fluorescent Chemosensors Based on Polyamine Ligands
Polyamine ligands are water-soluble receptors that are able to coordinate, depending on their protonation degree, either metal ions, anionic, or neutral species. Furthermore, the presence of fluorescent signaling units allows an immediate visual response/signal. For these reasons, they can find applications in a wide variety of fields, mainly those where aqueous media is necessary, such as biological studies, wastewater analysis, soil contamination, etc.
  • 644
  • 29 Dec 2021
Topic Review
Electric Double Layer Structure
The electric double layer (EDL) is the most important electrochemical and heterogeneous catalysis region. Because of it, its modeling and investigation are something that can be found in the literature for a long time. However, it is still something in debate, since nowadays a series of new techniques are available for the investigation of this interfacial area at the molecular level by experiments and simulations.
  • 585
  • 09 Dec 2022
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. 
  • 569
  • 02 Jul 2022
Topic Review
Laser-Induced Breakdown Spectroscopy for Food Quality Evaluation
Laser-induced Breakdown Spectroscopy (LIBS) is becoming an increasingly popular analytical technique for characterizing and identifying various products; its multi-element analysis, fast response, remote sensing, and sample preparation is minimal or nonexistent, and low running costs can significantly accelerate the analysis of foods with medicinal properties (FMPs). 
  • 567
  • 28 Jul 2022
Topic Review
Noise in Designing a Transmission Electron Microscopy Laboratory
The proper design of a transmission electron microscopy facility is mandatory to fully use the advanced performances of modern equipment, capable of atomic resolution imaging and spectroscopies, and it is a prerequisite to conceive new methodologies for future advances of the knowledge. When quantitatively evaluating the effects of noise on TEM (Transmission Electron Microscopy)/STEM (Scanning Transmission Electron Microscopy) experiments, there are three main parameters to be considered: spatial resolution, signal amplitude, and signal-to-noise ratio. All of them can be negatively affected by the presence of external sources of noise, whose removal is crucial for TEM/STEM experiments to exploit the highest instrumental performance and capabilities. All noise sources of interest and relevant mitigation approaches are analyzed in detail. 
  • 488
  • 09 May 2023
Topic Review
Advanced Spectroscopy Techniques with Chemometrics in Food Analysis
The growing world population is increasing the demand for food in multiple ways, which is leading to a higher demand for safety and quality control of commercialized products. Food can become contaminated by chemicals and physical substances through accidental or intentional means. Advanced spectroscopy techniques paired with chemometric tools are crucial in analyzing food by providing a fast, non-destructive, and efficient means of obtaining detailed information about food samples. This information can be used to improve the quality, safety, and authenticity of food products. 
  • 472
  • 31 Jul 2023
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