Zwitterionic vs porphyrin free-base structures in 4-phenylsulfonic acid meso-substituted porphyrins

2005 ◽  
Vol 09 (12) ◽  
pp. 852-863 ◽  
Author(s):  
Carlos Escudero ◽  
Zoubir El-Hachemi ◽  
Joaquim Crusats ◽  
Josep M. Ribó
Keyword(s):  
Water Solution ◽  
Pure Water ◽  
Critical Micellar Concentration ◽  
Solid Matrix ◽  
Free Base ◽  
Acid Base ◽  
Water Solutions ◽  
Hydrophilic Surfaces ◽  
J Aggregates ◽  
First Time

The 5,10,15,20-tetrakis(4-sulfophenyl)porphyrin (TPPS4) and 5-phenyl-10,15,20-tris(4-sulfophenyl)porphyrin (TPPS3)] were obtained for the first time as the pure sulfonic acid derivatives and characterized for their constitutional structure in the solid state and in water solution. The zwitterionic species in water solutions, above a critical micellar concentration, are stabilized by side-to-side homoassociation to J-aggregates (B-band: 490 nm), but in solids they only give the J-aggregates when water is present in enough amount. Severe dried solids show a zwitterionic species, stabilized by side-to-side interactions, that probably corresponds to the dimer (B-band: 455 nm). The monomeric zwitterion (B-band: 434 nm) is detected in dilute water solutions and its acid/base properties (concentration pK a (1/2) ≈ 5.0) are not significantly different from those of the acidified solutions of their sodium sulfonate derivatives. However, pure water solutions of TPPS n , in contrast to those of their sodium salts, show important interactions with hydrophilic surfaces: e.g. TPPS4 adsorbs on fused quartz forming a monolayer of the free-base porphyrin together with its counter cations. Dilution of the title porphyrins in a solid matrix (e.g. KBr ) leads to a free-base porphyrin species with a red-shifted B-band (424 nm) that points to a side-to-side homoassociation, which is in contrast with the typical π-stacked aggregates of the corresponding alkaline metal sulfonato salts.

Fluorescence behavior of a unique two-photon fluorescent probe in aggregate and solution states and highly sensitive detection of RNA in water solution and living systems

2016 ◽  
Vol 52 (57) ◽  
pp. 8838-8841 ◽  
Author(s):  
Yong Liu ◽  
Fangfang Meng ◽  
Longwei He ◽  
Xiaoqiang Yu ◽  
Weiying Lin
Keyword(s):  
Fluorescent Probe ◽  
Water Solution ◽  
Pure Water ◽  
Water Systems ◽  
Living Systems ◽  
Sensitive Detection ◽  
Two Photon ◽  
Highly Sensitive ◽  
Highly Sensitive Detection ◽  
First Time

In this work, we developed a unique fluorescent probe HVC-6 for highly sensitive detection of RNA in pure water systems and living systems by aggregation–disaggregation of the probe for the first time.

Spectrophotometric study of the interaction of Chromazurol S and Eriochromazurol B with surface active substances - tensides

1981 ◽  
Vol 46 (5) ◽  
pp. 1090-1106 ◽  
Author(s):  
Irena Burešová ◽  
Vlastimil Kubáň ◽  
Lumír Sommer
Keyword(s):  
Critical Micellar Concentration ◽  
Spectrophotometric Study ◽  
Conditional Stability ◽  
Acid Base ◽  
Binary Complexes ◽  
Chromazurol S ◽  
Acid Base Equilibrium ◽  
Poorly Soluble ◽  
Conditional Stability Constants ◽  
Triton X

The acid-base and optical properties of Chromazurol S and Eriochromazurol B in the presence of 1 . 10-6 - 2 . 10-2M solutions of cetylpyridinium bromide, cetyltrimethylammonium bromide and 1-ethoxycarbonylpentadecyltrimethylammonium bromide (Septonex) and 0.001-1.0% w/v solutions of octylphenolpolyethylene glycol ether (Triton X-100), polyoxyethylenemonolauryl ether (Brij 35) and lauryl sulphate sodium salt were determined by graphical and numerical interpretation of absorbance curves. The poorly soluble ion associates, which can be extracted into chloroform and which have the defined composition [LH4-nn-.n T+] or [LH3-nn-.n T+] are formed at submicellar concentration of the tenside. In regions close to the critical micellar concentration of the tenside, soluble binary complexes of the acid-base forms of the reagent are formed with tenside micelles. The conditional stability constants of the reagent acid-base equilibrium depend on the type and concentration of the tenside, on the reagent concentration, on the concentration and type of inorganic acid anions and on the ionic strength of the solution. The mechanism of interaction of the reagent with the tenside and the probable structure of the binary species are discussed.

Association of Graft Copolymers of Alkyl Methacrylates with α-Methyl-ω-hydroxy-poly(oxyethylene) ethacrylates

1995 ◽  
Vol 60 (11) ◽  
pp. 1971-1985 ◽  
Author(s):  
Čestmír Koňák ◽  
Zdeněk Tuzar ◽  
Pavla Kopečková ◽  
Joseph D. Andrade ◽  
Jindřich Kopeček
Keyword(s):  
Light Scattering ◽  
Graft Copolymers ◽  
Water Solution ◽  
Pure Water ◽  
Solution Properties ◽  
Monomer Composition ◽  
Special Procedure ◽  
Methyl Cellosolve ◽  
Hexyl Methacrylate ◽  
Alkyl Methacrylates

Solution properties of the statistical copolymers of alkyl methacrylates (AMA) with α-methyl-ω-hydroxy-poly(oxyethylene) methacrylates (MPOEMA) (nonionic polysoaps) were studied using static and dynamic ligh scattering as a function of monomer composition and concentration in aqueous and methyl cellosolve solutions. The solubility of the copolymers in water was found to be dependent on molar contant of AMA. While copolymers with low content of hexyl methacrylate (HMA) (0 and 20 mole %) were directly soluble in water, forming true solutions with a low content of large swollen aggregates, copolymers with a higher content of HMA or lauryl methacrylate (LMA) were not directly dispersable in water. A special procedure, the stepwise dialysis from methyl cellosolve solutions against water, had to be used to prepare them in the pseudomicellar form. The copolymers were directly soluble in methyl cellosolve and its water solution containing up to 60 vol.% of water. Nevertheless, the light scattering experiments were dominated by light scattering of swollen particles of aggregated copolymer molecules. The copolymers were not soluble in the mixtures containing 70-100 vol.% of water. Paramaters of aggregates in the mixture with 60 vol.% of water and in pure water were found to be very similar.

scholarly journals Behavior and properties of water in silicate melts under deep mantle conditions

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Bijaya B. Karki ◽  
Dipta B. Ghosh ◽  
Shun-ichiro Karato
Keyword(s):  
Electrical Conductivity ◽  
Molar Volume ◽  
Water Solution ◽  
Pure Water ◽  
Electrical Conductance ◽  
Water Structure ◽  
Bulk Water ◽  
Silicate Melts ◽  
Pressure Regime ◽  
Low Pressures

AbstractWater (H2O) as one of the most abundant fluids present in Earth plays crucial role in the generation and transport of magmas in the interior. Though hydrous silicate melts have been studied extensively, the experimental data are confined to relatively low pressures and the computational results are still rare. Moreover, these studies imply large differences in the way water influences the physical properties of silicate magmas, such as density and electrical conductivity. Here, we investigate the equation of state, speciation, and transport properties of water dissolved in Mg1−xFexSiO3 and Mg2(1−x)Fe2xSiO4 melts (for x = 0 and 0.25) as well as in its bulk (pure) fluid state over the entire mantle pressure regime at 2000–4000 K using first-principles molecular dynamics. The simulation results allow us to constrain the partial molar volume of the water component in melts along with the molar volume of pure water. The predicted volume of silicate melt + water solution is negative at low pressures and becomes almost zero above 15 GPa. Consequently, the hydrous component tends to lower the melt density to similar extent over much of the mantle pressure regime irrespective of composition. Our results also show that hydrogen diffuses fast in silicate melts and enhances the melt electrical conductivity in a way that differs from electrical conduction in the bulk water. The speciation of the water component varies considerably from the bulk water structure as well. Water is dissolved in melts mostly as hydroxyls at low pressure and as –O–H–O–, –O–H–O–H– and other extended species with increasing pressure. On the other hand, the pure water behaves as a molecular fluid below 15 GPa, gradually becoming a dissociated fluid with further compression. On the basis of modeled density and conductivity results, we suggest that partial melts containing a few percent of water may be gravitationally trapped both above and below the upper mantle-transition region. Moreover, such hydrous melts can give rise to detectable electrical conductance by means of electromagnetic sounding observations.

Exploring chemistry features of favipiravir in octanol/water solutions

2021 ◽  
pp. 1-12
Author(s):  
Halimeh Rajabzadeh ◽  
Ayla Sharafat ◽  
Maryam Abbasi ◽  
Maryam Eslami Gharaati ◽  
Iraj Alipourfard
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Partition Coefficients ◽  
Density Functional ◽  
Water Solution ◽  
Peptide Group ◽  
Functional Theory ◽  
Water Solutions ◽  
Group Rotations ◽  
Heterocyclic Structure

Favipiravir (Fav) has become a well-known drug for medication of patients by appearance of COVID-19. Heterocyclic structure and connected peptide group could make changes for Fav yielding different features from those required features. Therefore, it is indeed a challenging task to prepare a Fav compound with specific features of desired function. In this work, existence of eight Fav structures by tautomeric formations and peptide group rotations were obtained using density functional theory (DFT) optimization calculations. Gas phase, octanol solution, and water solution were employed to show impact of solution on features of Fav besides obtaining partition coefficients (LogP) for Fav compounds. Significant impacts of solutions were seen on features of Fav with the obtained LogP order: Fav-7 >  Fav-8 >  Fav-4 >  Fav-3 >  Fav-2 >  Fav-5 >  Fav-1 >  Fav-6. As a consequence, internal changes yielded significant impacts on features of Fav affirming its carful medication of COVID-19 patients.

scholarly journals Controlling Condensation of Water Using Hybrid Hydrophobic-Hydrophilic Surfaces

2010 ◽  
Author(s):  
Kripa K. Varanasi ◽  
Tao Deng
Keyword(s):  
Nucleation Rate ◽  
Heterogeneous Nucleation ◽  
Energy Barrier ◽  
Superhydrophobic Surfaces ◽  
Industrial Processes ◽  
Spatial Control ◽  
Hydrophilic Surfaces ◽  
Wide Range ◽  
First Time ◽  
Control Water

Heterogeneous nucleation of water plays an important role in wide range of natural and industrial processes. Though heterogeneous nucleation of water is ubiquitous and everyday experience, spatial control of this important phenomenon is extremely difficult. Here we show, for the first time, that spatial control in the heterogeneous nucleation of water can be achieved by manipulating the local nucleation energy barrier and nucleation rate via the modification of the local intrinsic wettability of a surface by patterning hybrid hydrophobic-hydrophilic regions on a surface. Such ability to control water nucleation could address the condensation-related limitations of superhydrophobic surfaces, and has implications for efficiency enhancements in energy and desalination systems.

scholarly journals Testing for ion-mediated enhancement of the hydraulic conductance of the leaf xylem in diverse angiosperms

2017 ◽  
Vol 4 ◽  
pp. e004 ◽  
Author(s):  
Christine Scoffoni ◽  
Grace John ◽  
Herve Cochard ◽  
Lawren Sack
Keyword(s):  
Water Solution ◽  
Pure Water ◽  
Xylem Sap ◽  
Hydraulic Conductance ◽  
Membrane Pores ◽  
Whole Plant ◽  
Pit Membrane ◽  
Major Bottleneck ◽  
The Difference ◽  
Xylem Conduits

Replacing ultra-pure water solution with ion solution closer to the composition of natural xylem sap increases stem hydraulic conductance by up to 58%, likely due to changes in electroviscosity in the pit membrane pores. This effect has been proposed to contribute to the control of plant hydraulic and stomatal conductance and potentially to influence on carbon balance during dehydration. However, this effect has never been directly tested for leaf xylem, which constitutes a major bottleneck in the whole plant. We tested for an ion-mediated increase in the hydraulic conductance of the leaf xylem (Kx) for seven species diverse in phylogeny and drought tolerance. Across species, no significant changes in Kx were observed between 0 and 15 mM KCl. We further tested for an effect of ion solution during measurements of Kx vulnerability to dehydration in Quercus agrifolia and found no significant impact. These results for leaf xylem contrast with the often strong ion effect reported for stems, and we suggest several hypotheses to account for the difference, relating to the structure of xylem conduits across vein orders, and the ultrastructure of leaf xylem pores. A negligible ion response in leaves would weaken xylem sap ion-mediated control of plant hydraulic conductance, facilitating modeling of whole plant hydraulic behavior and its influence on productivity.

scholarly journals DEVELOPMENT OF HPLC STABILITY DEMONSTRATING METHODOLOGY FOR QUANTIFYING AZELNIDIPINE AND TELMISARTAN IN TABLETS AND BULK TYPES: VALIDATION FOLLOWING ICH DIRECTIVES

2021 ◽  
pp. 298-305
Author(s):  
KRISHNAPHANISRI PONNEKANTI ◽  
K. SUNITHA
Keyword(s):  
Acid Base ◽  
Testing Conditions ◽  
Heat Degradation ◽  
Photodiode Array ◽  
Recovery Percentage ◽  
Inner Diameter ◽  
The Stability ◽  
First Time ◽  
Oxidation Degradation ◽  
Degradation Testing

Objective: Azelnidipine (AZEL) and Telmisartan (TELM) combination is referred to the sufferers of hypertension. No analytical process has yet been mentioned for the TELM and AZEL combination analysis. We, therefore, have designed for its first time stability demonstrating methodology based on HPLC for analysing TELM and AZEL in the tablets and bulk. Methods: The assay of TELM and AZEL was get done on a 250 mm length C18 column (Supelco, 4.6 mm inner diameter, 5.0 μm particle size), and utilized 0.1M Na2SO4 (pH 3.6) and acetonitrile (55% volume:  45% volume) as the mobile solvents phase, at a stream rate 1.0 ml/min. HPLC recognition of TELM and AZEL was taken by a photodiode array sensor set at 258 nm. For validation of the stability demonstrating methodology proposed in terms of sensitivity, precision, specificity, linearity, device adequacy, robustness and accuracy, ICH directives were followed. Results: Calibration curves of TELM and AZEL were generated in the array of 20-60 µg/ml and 4-12 µg/ml with recovery percentage ranges of 99.62%-101.05% and 97.76%-100.17%, and detection limits of 0.020 µg/ml and 0.009 µg/ml, respectively. TELM and AZEL stability was inspected in the existence of acid, base, light, heat, and oxidation and it was realised to be more stable under oxidation degradation testing conditions employed when compared to acid, alkaline, photo, and heat degradation testing conditions applied. Conclusion: The observations demonstrated that the described HPLC stability demonstrating methodology was suitable for quantitating TELM and AZEL combination in tablets and bulk.

scholarly journals Marrying Medicine and Materials: Artemisinin (Qinghaosu) Particle is Soft Enough for Scratching Hard SiC Wafer in Water

2016 ◽  
Author(s):  
Yu-rong Zhu ◽  
Dan Zhang ◽  
Yang Gan ◽  
Fei-hu Zhang
Keyword(s):  
Pure Water ◽  
High Hardness ◽  
Underlying Mechanism ◽  
Molecular Solids ◽  
High Brightness ◽  
Force Microscopy ◽  
Atomic Force ◽  
Chemical Inertness ◽  
Sic Wafer ◽  
First Time

<p>Silicon carbide (SiC) single crystals, along with sapphire and silicon, are one of most important substrates for high-brightness LED fabrications. Owing to extremely high hardness (Mohs&rsquo; scale of 9.5) and chemical inertness, the polishing rate of SiC with conventional chemical mechanical polishing (CMP) methods is not high, and surface scratches are also inevitable because of using slurry containing hard abrasives such as silica particles. Here artemisinin (Qinghaosu) crystals, very soft molecular solids, were found, for the first time to the best of our knowledge, to effectively polish SiC wafers even in pure water as demonstrated by proof-of-concept scratching experiments using atomic force microscopy (AFM). The underlying mechanism is attributed to activated oxidation of SiC by mechanically released reactive &middot;OH free radicals from the endoperoxide bridges. The preliminary results reported here have important implications for developing novel alternative green and scratch-free polishing methods for hard-brittle substrates including SiC and others.</p>

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