scholarly journals Kanamycin complexation with cellulose acetate sulphate: a promissing way from injectable to oral form of antibiotic

2021 ◽  
pp. 3-20
Author(s):  
Татьяна Александровна Савицкая ◽  
Екатерина Александровна Шахно ◽  
Иван Павлович Босько ◽  
Вадим Эдвардович Матулис ◽  
Наталья Анатольевна Мелеховец ◽  
...  
Keyword(s):  
Cellulose Acetate ◽  
Quantum Chemical ◽  
Ph Value ◽  
Quantum Chemical Study ◽  
Aminoglycoside Antibiotic ◽  
Chemical Study ◽  
Isodesmic Reactions ◽  
Polyelectrolyte Complexes

Water-insoluble polyelectrolyte complexes of cellulose acetate sulphate in the form of sodium salt (Na-CAS) and aminoglycoside antibiotic (AB) kanamycin (KAN) were obtained by mixing of the components aqueous solutions. The composition of the complexes was determined in accordance with the medium pH and mixing order. The increase of Na‑CAS cellobiose units per mole of AB has been shown to correlate with the decrease of pH value. The complex formation was studied by Fourier transform infrared spectroscopy, thermal analysis, X-ray analysis, laser diffraction, motion trajectory of nanoparticles analysis and scanning electron microscopy. Quantum-chemical study of the relative stability of the protonated forms of KAN in aqueous solution was performed to determine the preferred protonation sites of KAN molecule. The pKa values of KAN were calculated by means of isodesmic reactions method. The structures and binding energy for the KAN dimer and the KAN – CAS complex were also investigated by quantum-chemical methods. Na‑CAS – KAN complex itself and immobilised on the activated carbon was shown to demonstrate in vitro two times antibacterial activity of the standard (injectable) form of KAN against Mycobacterium tuberculosis. It can be recommended for in vivo clinical trials as a new form of aminoglycoside AB for oral administration.

Profiling of Cyclic Hexadepsipeptides Roseotoxins Synthesized In Vitro and In Vivo: A Combined Tandem Mass Spectrometry and Quantum Chemical Study

2003 ◽  
Vol 9 (2) ◽  
pp. 105-116 ◽  
Author(s):  
Alexandr Jegorov ◽  
Béla Paizs ◽  
Martin Žabka ◽  
Marek Kuzma ◽  
Vladimír Havlíček ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Quantum Chemical ◽  
High Performance ◽  
Ion Trap ◽  
Quantum Chemical Study ◽  
Ion Cyclotron Resonance ◽  
Tandem Mass

High-performance liquid chromatography and tandem mass spectrometry (HPLC/MS/MS) was used for the detection of cyclic hexadepsipeptides roseotoxins produced by Trichothecium roseum. Roseotoxins were found in both submerged standard cultivation on Czapek–Dox medium and in vivo cultivation extract obtained from an apple. Roseotoxin chromatographic profiles from these two experiments were compared. Product-ion collision-induced dissociation (CID) spectra obtained on an ion trap (electrospray ionisation, ESI) were used for the identification of natural roseotoxins A, B, C and of minor destruxins A and B. The dissociation behavior of roseotoxins is discussed in terms of a fragmentation scheme proposed for describing the dissociation pathways of cyclic peptides. This scheme involves opening of the cyclopeptide ring via formation of oxazolone derivatives and fragmentation of the resulting linear species, which have a free N-terminus and an oxazolone ring at the C-terminus. Some aspects of this fragmentation scheme are underlined by modeling the dissociation channels of roseotoxin A using quantum chemical calculations. The structures of roseotoxin A and destruxin B were verified by nuclear magnetic resonance (NMR) spectroscopy. Structures of three new minor natural roseotoxins [Val4]RosA, [MeLxx4]RosA and [MeLxx4]RosB were deduced by ion cyclotron resonance Fourier transform mass spectrometry (ICR-FT-MS) and ion trap tandem mass spectrometry by examining the pre-separated roseotoxin fraction.

Vibrational and Quantum Chemical Study of Triphenylantimony (V)Benzilate SbPh3 [O2CC (OH) Ph2]2

2015 ◽  
Vol 1 (1) ◽  
Author(s):  
Tanveer Hasan ◽  
P. K. Singh ◽  
Shamoon Siddiqui
Keyword(s):  
Molecular Orbital ◽  
Quantum Chemical ◽  
Matrix Method ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Semi Empirical

A complete normal coordinate analysis was performed by two methods: a classical Wilson G-F matrix method and the Semi-empirical molecular orbital PM6 method, for a five coordinate Triphenylantimony (V) Benzilate SbPh3 [O2CC (OH) Ph2]2, known to be an in vitro antitumour molecule

A quantum chemical study of the acidity of acetylene and 1,2-dihydrobuckminsterfullerene de-rivatives

2018 ◽  
Vol 59 (1) ◽  
pp. 51-53
Author(s):  
M. V. Makarova ◽  
◽  
S. G. Semenov ◽  
R. R. Kostikov ◽  
◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

In vitro Lipolysis as a Tool for the Establishment of IVIVC for Lipid-Based Drug Delivery Systems

2019 ◽  
Vol 16 (8) ◽  
pp. 688-697
Author(s):  
Ravinder Verma ◽  
Deepak Kaushik
Keyword(s):  
Drug Delivery ◽  
Ph Value ◽  
Electron Paramagnetic Resonance Spectroscopy ◽  
Rapid Screening ◽  
Resonance Spectroscopy ◽  
Fed State ◽  
In Vitro Lipolysis ◽  
Ph Stat

: In vitro lipolysis has emerged as a powerful tool in the development of in vitro in vivo correlation for Lipid-based Drug Delivery System (LbDDS). In vitro lipolysis possesses the ability to mimic the assimilation of LbDDS in the human biological system. The digestion medium for in vitro lipolysis commonly contains an aqueous buffer media, bile salts, phospholipids and sodium chloride. The concentrations of these compounds are defined by the physiological conditions prevailing in the fasted or fed state. The pH of the medium is monitored by a pH-sensitive electrode connected to a computercontrolled pH-stat device capable of maintaining a predefined pH value via titration with sodium hydroxide. Copenhagen, Monash and Jerusalem are used as different models for in vitro lipolysis studies. The most common approach used in evaluating the kinetics of lipolysis of emulsion-based encapsulation systems is the pH-stat titration technique. This is widely used in both the nutritional and the pharmacological research fields as a rapid screening tool. Analytical tools for the assessment of in vitro lipolysis include HPLC, GC, HPTLC, SEM, Cryo TEM, Electron paramagnetic resonance spectroscopy, Raman spectroscopy and Nanoparticle Tracking Analysis (NTA) for the characterization of the lipids and colloidal phases after digestion of lipids. Various researches have been carried out for the establishment of IVIVC by using in vitro lipolysis models. The current publication also presents an updated review of various researches in the field of in vitro lipolysis.

Sign in / Sign up

Export Citation Format

Share Document