Biologically Important Physicochemical Properties of Some Cephalosporins

1992 ◽  
Vol 57 (8) ◽  
pp. 1739-1746
Author(s):  
Katarína Škvareninová ◽  
Štefan Baláž ◽  
Ernest Šturdík ◽  
Miroslav Veverka ◽  
Jana Adamcová ◽  
...  
Keyword(s):  
Physicochemical Properties ◽  
Partition Coefficients ◽  
Dissociation Constants ◽  
Transport Rate ◽  
Hydrolysis Rate ◽  
Antibacterial Effects ◽  
Oh Groups ◽  
Non Linear Equation ◽  
Cell Components ◽  
The Relationship

In the series of cephalosporin derivatives, consisting of eight 7-(R1-CH2-CO-NH)cephalosporanic acids and of seven analogical compounds with 3-acetoxymethyl replaced by 3-CH3, physicochemical properties, which are expected to play a role in their antibacterial effects (the transport rate parameters and partition coefficients in the systems 1-octanol-water and 1-octanol-buffer, dissociation constants of the 4-carboxyl group, reactivity towards L-glutathione imitating the nucleophilic groups of the cell components and hydrolysis rate parameters), were determined. Linear dependences were observed between the partition coefficients and the π-constants of the varying substituents as well as between reactivity towards SH-groups of L-glutathione and OH-groups. The relationship between the transport rate parameters and partition coefficients, both measured in buffered as well as non-buffered system, was described by a common non-linear equation.

Statistical Analysis of the Relationship Between Antioxidant Activity and the Structure of Flavonoid Compounds

2019 ◽  
Vol 70 (9) ◽  
pp. 3103-3107 ◽  
Author(s):  
Ioana Glevitzky ◽  
Gabriela Alina Dumitrel ◽  
Mirel Glevitzky ◽  
Bianca Pasca ◽  
Pavel Otrisal ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Antioxidant Activities ◽  
Basic Structure ◽  
Oh Groups ◽  
Flavonoid Compounds ◽  
Chi Squared ◽  
Potential Link ◽  
Van Der Waals Surface ◽  
The Relationship ◽  
Phenolic Oh Groups

Using different methods of statistics, this paper aims to highlight the potential link between the antioxidant activity of flavonoids and the corresponding molecular descriptors. By calculating the descriptors (van der Waals surface (A), molar volume (V), partition coefficient (LogP), refractivity (R), polarizability (a), forming heat (Hformation), hydration energy (Ehidr), the dipole moment (mt)), together with antioxidant activities (RSA) calculated or taken from the literature, number of phenolic -OH groups and the presence (2) or absence (1) of C2=C3 double bond) for 29 flavonoid compounds and by intercorrelation between the studied parameters, the link between the number of phenolic groups grafted to the basic structure of flavonoids and their antioxidant activity was confirmed. Simultaneously, by using the chi-squared test and the intercorrelations matrix, a satisfactorily correlation coefficient (r2=0.5678; r=0.7536) between the structure of the flavonoids and their activity was obtained, fact that confirms the correlation of the antioxidant activity with the number of -OH phenolic groups.

Interphase distribution of 2-furylethylenes

1985 ◽  
Vol 50 (8) ◽  
pp. 1642-1647 ◽  
Author(s):  
Štefan Baláž ◽  
Anton Kuchár ◽  
Ernest Šturdík ◽  
Michal Rosenberg ◽  
Ladislav Štibrányi ◽  
...  
Keyword(s):  
Partition Coefficient ◽  
Partition Coefficients ◽  
Transport Rate ◽  
Phase System ◽  
Two Phase ◽  
Interphase Distribution ◽  
Distribution Kinetics ◽  
System 1 ◽  
Kinetics Of

The distribution kinetics of 35 2-furylethylene derivatives in two-phase system 1-octanol-water was investigated. The transport rate parameters in direction water-1-octanol (l1) and backwards (l2) are partition coefficient P = l1/l2 dependent according to equations l1 = logP - log(βP + 1) + const., l2 = -log(βP + 1) + const., const. = -5.600, β = 0.261. Importance of this finding for assesment of distribution of compounds under investigation in biosystems and also the suitability of the presented method for determination of partition coefficients are discussed.

The Effect of Acidity of Al and Fe Silicates with MFI Structure on Benzene and Toluene Alkylation with Isopropyl Alcohol

1996 ◽  
Vol 61 (8) ◽  
pp. 1115-1130 ◽  
Author(s):  
Jiří Čejka ◽  
Naděžda Žilková ◽  
Blanka Wichterlová
Keyword(s):  
Kinetic Study ◽  
Molecular Sieves ◽  
Isopropyl Alcohol ◽  
Acid Sites ◽  
Transport Rate ◽  
Reaction Products ◽  
Oh Groups ◽  
Benzene Alkylation ◽  
Toluene Alkylation ◽  
Low Strength

Kinetic study of toluene and benzene alkylation with isopropyl alcohol on alumo- and ferrisilicates of MFI structure has shown that the alkylation activity does not follow the acidity (both the number and strength of bridging OH groups) of these molecular sieves. The rate of the overall reaction is controlled by the desorption/transport rate of bulky, strongly adsorbed cymenes and cumene. A higher concentration of n-propyltoluenes compared to n-propylbenzene, both undesired reaction products, formed via a bimolecular isomerization of isopropyl aromate with benzene or toluene, was due to the higher reactivity of isopropyltoluene with toluene in comparison with that of cumene with benzene. It is concluded that ferrisilicates of MFI structure possessing low strength acid sites appear to be promising catalysts for achieving both a high isopropyl- and para-selectivity in toluene alkylation to p-cymene.

scholarly journals Correlating Capsaicinoid Levels and Physicochemical Proper-ties of Kimchi and Its Perceived Spiciness

Foods ◽  
2021 ◽  
Vol 10 (1) ◽  
pp. 86
Author(s):  
So-Ra Yoon ◽  
Yun-Mi Dang ◽  
Su-Yeon Kim ◽  
Su-Yeon You ◽  
Mina K. Kim ◽  
...  
Keyword(s):  
Correlation Analysis ◽  
Physicochemical Properties ◽  
Correlation Coefficient ◽  
Partial Correlation ◽  
Sugar Content ◽  
Amino Acid Content ◽  
Titratable Acidity ◽  
Free Sugar ◽  
Partial Correlation Analysis ◽  
The Relationship

Capsaicinoid content, among other factors, affects the perception of spiciness of commercial kimchi. Here, we investigated whether the physicochemical properties of kimchi affect the spicy taste of capsaicinoids perceived by the tasting. High-performance liquid chromatography (HPLC) was used to evaluate the capsaicinoid content (mg/kg) of thirteen types of commercial kimchi. The physicochemical properties such as pH, titratable acidity, salinity, free sugar content, and free amino acid content were evaluated, and the spicy strength grade was determined by selected panel to analyze the correlation between these properties. Panels were trained for 48 h prior to actual evaluation by panel leaders trained for over 1000 h according to the SpectrumTM method. Partial correlation analysis was performed to examine other candidate parameters that interfere with the sensory evaluation of spiciness and capsaicinoid content. To express the specific variance after eliminating the effects of other variables, partial correlations were used to estimate the relationships between two variables. We observed a strong correlation between spiciness intensity ratings and capsaicinoid content, with a Pearson’s correlation coefficient of 0.78 at p ≤ 0.001. However, other specific variables may have influenced the relationship between spiciness intensity and total capsaicinoid content. Partial correlation analysis indicated that the free sugar content most strongly affected the relationship between spiciness intensity and capsaicinoid content, showing the largest first-order partial correlation coefficient (rxy/z: 0.091, p ≤ 0.01).

Solution Properties of Tetraalkylammonium Halide and Alkali-Metal Halide Ion Pairs. The Relationship Between Dissociation Constants and Solubility Products

1987 ◽  
Vol 40 (7) ◽  
pp. 1201 ◽  
Author(s):  
W Mizerski ◽  
MK Kalinowski
Keyword(s):  
Alkali Metal ◽  
Solubility Product ◽  
Dissociation Constants ◽  
Ion Pairs ◽  
Empirical Relation ◽  
Alkali Metal Halide ◽  
Alkali Metal Cations ◽  
Solubility Products ◽  
The Relationship ◽  
Dissociation Constant Kd

An empirical relation describing the effect of solvent on the dissociation constant ( Kd ) of ion pairs is described. An equation of the form pKd = apKso + bD-1 + c ( Kso and D stand for the solubility product of a given salt and for the electric permittivity of a solvent, respectively) has been tested with 13 sets of experimental data for salts containing tetraalkylammonium and alkali-metal cations. A successful correlation was obtained in 100% of the cases considered.

The Possibility of Predicting Prolongation of the Pharmacological Action of Biologically Active Polymeric Substances

2012 ◽  
Vol 39 (11) ◽  
pp. 21-27 ◽  
Author(s):  
L.I. Shal'nova ◽  
N.A. Lavrov ◽  
A.F. Nikolaev
Keyword(s):  
Dissociation Constants ◽  
Equilibrium Dialysis ◽  
Physiological Activity ◽  
Pharmacological Action ◽  
Physicochemical Characteristics ◽  
Biologically Active ◽  
Organic Bases ◽  
Physiologically Active Substances ◽  
Biological Methods ◽  
The Relationship

The physicochemical properties and the formation, stability, and dissociation constants of complexes of poly acids with organic bases possessing physiological activity were determined by methods of potentiometric titration, conductometry, and equilibrium dialysis, and by biological methods. The relationship between the level of physicochemical characteristics of complexes and the possibility of predicting the prolonged pharmacological (antimicrobial, anaesthetising) action of physiologically active substances in complexes with polymers was established.

Relationship between the Differences of Odor Detection Threshold Values Measured by Different Methods and some of the Physicochemical Properties

2013 ◽  
Vol 807-809 ◽  
pp. 451-455 ◽  
Author(s):  
Di Fang ◽  
Jie Min Liu ◽  
Qin Yi
Keyword(s):  
Physicochemical Properties ◽  
Functional Group ◽  
Saturated Vapor ◽  
Detection Threshold ◽  
Threshold Values ◽  
Odor Detection ◽  
Linear Relationships ◽  
Odor Detection Threshold ◽  
The Difference ◽  
The Relationship

The amount of sample can enter the nasal cavity depends on the physiochemical characteristics such as distribution, volatility and solubility. It can be suspected that the difference of odor detection threshold (ODT) measured by different methods is related to the physicochemical properties of compounds. To investigate the relationship between ODT differences and the physicochemical properties of compounds, ODT values of four series of organic compounds were measured by triangle odor bag method and gas chromatography and olfactometry method; the results were compared and the absolute differences were calculated. Relationship between ODT differences and the type of functional group and some of the physicochemical properties of compounds was analyzed. The results showed the type of functional group had significant effect on the differences. Certain linear relationships between the logarithmic value of differences and the logarithmic values of saturated vapor pressure and molecular weight were observed.

Enhancing Polynuclear Aromatic Uptake into Bulk Solution with Amphiphilic Colloidal Aggregates

1992 ◽  
Vol 26 (9-11) ◽  
pp. 2341-2344 ◽  
Author(s):  
D. A. Edwards ◽  
Z. Liu ◽  
R. G. Luthy
Keyword(s):  
Experimental Data ◽  
Partition Coefficients ◽  
Solution Concentration ◽  
Aqueous System ◽  
Bulk Solution ◽  
Similar System ◽  
Colloidal Aggregates ◽  
Total Fraction ◽  
The Relationship ◽  
Amphiphilic Aggregates

Aggregated amphiphiles in an aqueous or solid/aqueous system can substantially enhance the uptake of polynuclear aromatic (PNA)compound into a bulk solution. The extent of PNA compound incorporated in an amphiphilic aggregate solution in the absence of solids is linearly dependent on the bulk solution concentration of the aggregated form of the amphiphile. In a system in which solids are in contact with a solution, however, the relationship is nonlinear as a result of the adherence of both amphiphile and PNA compound to the solids. The formation of amphiphile aggregates in the bulk solution of a system containing solids occurs only after a much greater amount of amphiphile has been added to the system than would be required for a similar system containing only solution. The partitioning of PNA compound between the solid, the colloidal amphiphilic aggregates in bulk solution, and the rest of the bulk solution can be characterized with two different partition coefficients and a number of other parameters, all of which are obtainable from independent experiments. The total fraction of PNA compound incorporated into bulk solution can be estimated with a mathematical model. Model results for the uptake of pyrene into a C8PE9.5 aggregate solution are shown plotted with experimental data. The effect of amphiphile aggregates on PNA compound transport in porous media may in some cases be substantial.

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