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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. 
  • 349
  • 31 Jul 2023
Topic Review
Aragonite and Unusual Pigments Identification
Aragonite is a mineralogical form of calcium carbonate, mainly of biogenic origin. Historical sources report its use in Roman times as an aggregate in mortars, and in the literature it has only been shown in Roman wall paintings. Thus, its use in 16thcentury wall paintings of the church of Santo Stefano in Selva (Cerignale, Apennines of central Italy) is surprising.
  • 734
  • 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.
  • 680
  • 17 Nov 2021
Topic Review
Benzimidazole
Benzimidazole is an important heterocyclic fragment, present in many biologically active compounds with a great variety of therapeutic purposes. Most of the benzimidazole activities are explained through the existence of 1,3-tautomeric equilibrium. As the binding affinity of each tautomer to a protein target depends on an established bioactive conformation, the effect of tautomers on the ligand protein binding mechanism is determinant.
  • 929
  • 27 Oct 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. 
  • 715
  • 01 Nov 2021
Topic Review
CO Molecules Detection on Metal Surfaces
Detection of intermediates during the catalytic process by infrared techniques has been widely implemented for many important reactions. For the reduction of CO2 into hydrocarbons on metal surfaces, CO molecule is one of the most important transient species to be followed due to its involvement in several products’ pathways, and its distinct vibrational features. 
  • 308
  • 28 Jan 2022
Topic Review
Configuration Determinations of Flexible Marine Natural Products
Flexible marine natural products (MNPs), such as eribulin and bryostatin, play an important role in the development of modern marine drugs. However, due to the multiple chiral centers and geometrical uncertainty of flexible systems, configuration determinations of flexible MNPs face great challenges, which, in turn, have led to obstacles in druggability research. To resolve this issue, the comprehensive use of multiple methods is necessary. 
  • 456
  • 01 Jun 2022
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.
  • 717
  • 14 Mar 2022
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.
  • 572
  • 09 Dec 2022
Topic Review
Energy Calibration for a Sectional Scan
For a sectional scan, the spectral energies within each scan need to be re-distributed point by point with a linear function of the accumulated time scanned rather than be scaled with a universal constant as in a traditional energy calibration.
  • 415
  • 06 Dec 2022
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