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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.
  • 4.9K
  • 27 Oct 2022
Topic Review
Polyphenol Analysis
The analysis of polyphenols can be approached from two main perspectives: by liquid chromatography, which provides the polyphenolic profile, but also allows the quantification of target individual polyphenols, or by spectrophotometric or electrochemical assays, which provide an estimation of the total polyphenol content or the antioxidant capacity.
  • 4.0K
  • 11 Feb 2022
Topic Review
Laser-Induced Breakdown Spectroscopy
Laser-Induced Breakdown Spectroscopy (LIBS) has been firstly introduced and proposed for analytical applications almost immediately after the invention of the laser in 1960. Since then, it has been proposed and today is widely used as an alternative analytical method for numerous applications. The operating principle of LIBS is quite simple and is based on the interaction of a powerful enough laser beam, focused usually on or in a sample, inducing a dielectric breakdown of the material, thus resulting in plasma formation consisting of excited and non-excited atoms and molecules, fragments of molecular species, electrons and ions, and emitting characteristic radiations, whose spectroscopic analysis can in principle provide the elemental composition fingerprint of the material. The required instrumentation consisting basically of a laser source, and a spectrometer/monochromator equipped with the appropriate light detector (nowadays being almost exclusively some CCD or ICCD type detector) is relatively simple and economically affordable, while significant progresses have been achieved to small size and/or portable equipment, facilitating largely the in situ operation.
  • 3.7K
  • 31 Aug 2021
Topic Review
Modern Near-Infrared Instrumentation
The ongoing miniaturization of spectrometers creates a perfect synergy with the common advantages of near-infrared (NIR) spectroscopy, which together provide particularly significant benefits in the field of food analysis. The combination of portability and direct onsite application with high throughput and a noninvasive way of analysis is a decisive advantage in the food industry, which features a diverse production and supply chain. A miniaturized NIR analytical framework is readily applicable to combat various problems encountered in modern industry and key sectors of public interest, i.e. food safety risks, agriculture, or environment.
  • 3.3K
  • 30 May 2022
Topic Review
FTIR Spectroscopy as Diagnostic Tools
Infrared spectroscopy has long been used to characterize chemical compounds, but the applicability of this technique to the analysis of biological materials containing highly complex chemical components is arguable. However, recent advances in the development of infrared spectroscopy have significantly enhanced the capacity of this technique in analyzing various types of biological specimens. Consequently, there is an increased number of studies investigating the application of infrared spectroscopy in screening and diagnosis of various diseases. The lack of highly sensitive and specific methods for early detection of cancer has warranted the search for novel approaches. Being more simple, rapid, accurate, inexpensive, non-destructive and suitable for automation compared to existing screening, diagnosis, management and monitoring methods, Fourier transform infrared spectroscopy can potentially improve clinical decision-making and patient outcomes by detecting biochemical changes in cancer patients at the molecular level. Besides the commonly analyzed blood and tissue samples, extracellular vesicle-based method has been gaining popularity as a non-invasive approach. Therefore, infrared spectroscopic analysis of extracellular vesicles could be a useful technique in the future for biomedical applications.
  • 2.5K
  • 23 Jun 2021
Topic Review
Near- and Mird-Infrared Spectroscopy
Given the exquisite capability of direct, non-destructive label-free sensing of molecular transitions, IR spectroscopy has become a ubiquitous and versatile analytical tool. IR application scenarios range from industrial manufacturing processes, surveillance tasks and environmental monitoring to elaborate evaluation of (bio)medical samples. Given recent developments in associated fields, IR spectroscopic devices increasingly evolve into reliable and robust tools for quality control purposes, for rapid analysis within at-line, in-line or on-line processes, and even for bed-side monitoring of patient health indicators. 
  • 2.1K
  • 03 Aug 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. 
  • 2.0K
  • 01 Nov 2021
Topic Review
MoS2-Based Substrates for Surface-Enhanced Raman Scattering
Surface-enhanced Raman scattering (SERS), as an important tool for interface research, occupies a place in the field of molecular detection and analysis due to its extremely high detection sensitivity and fingerprint characteristics. Substantial efforts have been put into the improvement of the enhancement factor (EF) by way of modifying SERS substrates.
  • 1.8K
  • 25 Mar 2022
Topic Review
Spectrophotometric Methods for Measurement of Antioxidant Activity
The antioxidant potential can be measured by various assays with specific mechanisms of action, including hydrogen atom transfer, single electron transfer, and targeted scavenging activities. Understanding the chemistry of mechanisms, advantages, and limitations of the methods is critical for the proper selection of techniques for the valid assessment of antioxidant activity in specific samples or conditions. There are various analytical techniques available for determining the antioxidant activity of biological samples, including food and plant extracts. The different methods are categorized into three main groups, such as spectrometry, chromatography, and electrochemistry techniques. Among these assays, spectrophotometric methods are considered the most common analytical technique for the determination of the antioxidant potential due to their sensitivity, rapidness, low cost, and reproducibility.
  • 1.8K
  • 28 Nov 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.
  • 1.7K
  • 13 Jul 2024
Topic Review
Interaction of Water and Solutes
Water plays an important role in chemical and biological processes. The interaction of water and solutes is of great significance for understanding the properties of aqueous solutions or bio-systems.
  • 1.7K
  • 08 Feb 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.
  • 1.7K
  • 09 Dec 2022
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.
  • 1.7K
  • 07 Feb 2022
Topic Review
Protein Binding of Benzofuran Derivatives
Benzofuran derivatives are synthetic compounds that are finding an increasing interest in the scientific community not only as building blocks for the realization of new materials, but also as potential drugs thanks to their ability to interact with nucleic acids, interfere with the amyloid peptide aggregation and cancer cell cycle. However, their ability to interact with proteins is a theme still in need of investigation for the therapeutic importance that benzofurans could have in the modulation of protein-driven processes, and for the possibility of making use of serum albumins as benzofurans delivery systems.
  • 1.5K
  • 29 Mar 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. 
  • 1.5K
  • 01 Jun 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. 
  • 1.4K
  • 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. 
  • 1.4K
  • 31 Jul 2023
Topic Review
Polysaccharide Sequence Determination
NMR analysis combined with statistical modeling offers a useful approach to investigate the microstructures of biobased polymers. In particular, this approach may be used to study the microstructures of polysaccharides. If the polysaccharides are composed of two or three monosaccharide units, and the NMR spectral features are sensitive to the different sequence placements of these units, then a detailed analysis of a polysaccharide (or its fractions) can be made by NMR with the help of statistical modeling.   
  • 1.4K
  • 12 Mar 2024
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. 
  • 1.4K
  • 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). 
  • 1.3K
  • 28 Jul 2022
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