Conformation of the esters of steroid hydroxyl groups by infrared spectroscopy

1969 ◽  
Vol 47 (9) ◽  
pp. 1601-1603 ◽  
Author(s):  
C. R. Narayanan ◽  
M. R. Sarma ◽  
T. K. K. Srinivasan ◽  
M. S. Wadia
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Carbonyl Group ◽  
Hydroxyl Group ◽  
Spectral Studies ◽  
Hydroxyl Groups ◽  
Hydrogen Atoms ◽  
Infrared Spectral

Infrared spectral studies show that the carbonyl group of the esters of steroid hydroxyl groups are stabilized near the adjacent alkyl hydrogen atoms; this energy of stabilization appears to be more than that of hydrogen bonding between the carbonyl and a nearby hydroxyl group.

AN INVESTIGATION OF THE CHLORINATION OF SPRUCE WOOD AND OF THE RESULTING CHLOROLIGNIN

1937 ◽  
Vol 15b (7) ◽  
pp. 279-294 ◽  
Author(s):  
G. V. Jansen ◽  
J. W. Bain
Keyword(s):  
Methyl Alcohol ◽  
Ring Structure ◽  
Hydroxyl Group ◽  
Hydroxyl Groups ◽  
Hydrogen Atoms ◽  
Chlorine Atoms ◽  
Spruce Wood ◽  
Simple Substitution ◽  
Homogeneous Fraction ◽  
Acid Reduction

Spruce sawdust was chlorinated under various conditions in an attempt to procure a homogeneous lignin chloride. Success finally attended the use of methyl alcohol as a medium for chlorination. The lignin chloride, which was dissolved by the alcohol during the chlorination and subsequently precipitated by the addition of water, was cream white in color, and analysis showed it to be an alcohol lignin.A homogeneous fraction (No. 2) was obtained from the re-chlorinated product, and it proved to be a chlorinated analogue of Hibbert's monomethylated methyl alcohol lignin, the formulas of the two products being C42H22O6Cl13(OH)2(OCH3)7, and C42H32O6(OH)3(OCH3)7. The molecular weight and the presence of the two hydroxyl groups were confirmed by acetylation, when 2.0 acetyl groups entered the molecule. Eleven of the chlorine atoms in Fraction 2 have evidently replaced ten hydrogen atoms and one hydroxyl group by simple substitution in methyl alcohol lignin, leaving two chlorine atoms which have apparently entered to saturate a double bond. Seven of these chlorine atoms have been shown to be readily removable either by an alkali or by acid reduction. The other six, because of their stable union with the molecule, are surmised to be joined to an aromatic nucleus or at least to some type of ring structure. The product has been shown to react stoichiometrically within limits as narrow as could be expected for such a large molecule.

Physical Stability and Lyophilization of Poly(ε-caprolactone)-b-Poly(ethyleneglycol)-b-Poly(ε-caprolactone) Micelles

2006 ◽  
Vol 6 (9) ◽  
pp. 3032-3039 ◽  
Author(s):  
Yong Hu ◽  
Yin Ding ◽  
Yuan Li ◽  
Xiqun Jiang ◽  
Changzheng Yang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Carbonyl Group ◽  
Fluorescence Spectra ◽  
Physical Stability ◽  
Storage Period ◽  
Aqueous Dispersion ◽  
Hydroxyl Group ◽  
Core Shell ◽  
Ft Ir ◽  
The Stability

The stability and lyophilization of core–shell PCL-PEG-PCL micelles were investigated by fluorescence spectra, DLS, DSC, WAXD, and FT-IR. The prepared micelles were not stable when they were stored in aqueous dispersion under different condition. Their size increased in the first 20 days and decreased gradually when the storage period was extended. Lyophilization experiment showed that the cryoprotective agent (glucose) was an essential additive to protect the micelles from aggregating during the lyophilization process. After lyophilizing and re-dispersion, the PCL-PEG-PCL micelles became larger in size compared to as-prepared ones. DSC, WAXD, and IR measurements indicated the hydrogen bonding was formed between the hydroxyl group in glucose and the carbonyl group in PCL-PEG-PCL micelles. The effect of added glucose on protection of micelles from aggregation can be explained by the formation of hydrogen bonding with PCL-PEG-PCL micelles and the formation of solid glucose matrix.

scholarly journals Summation Solute Hydrogen Bonding Acidity Values for Hydroxyl Substituted Flavones Determined by NMR Spectroscopy

2013 ◽  
Vol 8 (1) ◽  
pp. 1934578X1300800 ◽  
Author(s):  
William L. Whaley ◽  
Ekua M. Okoso-amaa ◽  
Cody L. Womack ◽  
Anna Vladimirova ◽  
Laura B. Rogers ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Intramolecular Interactions ◽  
Hydroxyl Group ◽  
Accurate Estimation ◽  
Hydroxyl Groups ◽  
Linear Free Energy Relationship ◽  
Hydrogen Bond Donor ◽  
Linear Free Energy ◽  
Drug Molecules

The flavonoids are a structurally diverse class of natural products that exhibit a broad spectrum of biochemical activities. The flavones are one of the most studied flavonoid subclasses due to their presence in dietary plants and their potential to protect human cells from reactive oxygen species (ROS). Several flavone compounds also mediate beneficial actions by direct binding to protein receptors and regulatory enzymes. There is current interest in using Quantitative Structure Activity Relationships (QSARs) to guide drug development based on flavone lead structures. This approach is most informative when it involves the use of accurate physical descriptors. The Abraham summation solute hydrogen bonding acidity ( A) is a descriptor in the general solvation equation. It defines the tendency of a molecule to act as a hydrogen bond donor, or acid, when surrounded by solvent molecules that are hydrogen bonding acceptors, or bases. As a linear free energy relationship, it is useful for predicting the absorption and uptake of drug molecules. A previously published method, involving nuclear magnetic resonance (NMR) spectroscopy, was used to evaluate A for the monohydroxyflavones (MHFs). Values of A ranged from 0.02, for 5-hydroxyflavone, to 0.69 for 4′-hydroxyflavone. The ability to examine separate NMR signals for individual hydroxyl groups allowed the investigation of intramolecular interactions between functional groups. The value of A for the position 7 hydroxyl group of 7-hydroxyflavone was 0.67. The addition of a position 5 hydroxyl group (in 5,7-dihydroxyflavone) increased the value of A for the position 7 hydroxyl group to 0.76. Values of A for MHFs were also calculated by the program ACD-Absolve and these agreed well with values measured by NMR. These results should facilitate more accurate estimation of the values of A for structurally complex flavones with pharmacological activities.

H2 formation on Mg-rich amorphous silicates

2019 ◽  
Vol 15 (S350) ◽  
pp. 109-113
Author(s):  
Vito Mennella ◽  
Tushar Suhasaria
Keyword(s):  
Experimental Study ◽  
Infrared Spectroscopy ◽  
Formation Process ◽  
Hydroxyl Groups ◽  
Hydrogen Atoms ◽  
Photodissociation Regions ◽  
H2 Formation

AbstractWe present the results of an experimental study on the interaction of D atoms with Mg-rich amorphous silicates. The effects of D irradiation have been analyzed by infrared spectroscopy. The results indicate that HD forms by abstraction of hydrogen atoms chemisorbed in the hydroxyl groups of silicate grains. The formation process occurs for grain and atom temperatures relevant to photodissociation regions.

The Dielectic properties of Crystalline Alcohols containing sterically hindered Hydroxyl groups

1953 ◽  
Vol 6 (2) ◽  
pp. 104 ◽  
Author(s):  
RJ Meakins
Keyword(s):  
Hydrogen Bonding ◽  
Hydroxyl Group ◽  
Appreciable Amount ◽  
Hydroxyl Groups ◽  
Dipole Orientation ◽  
Hindered Rotation ◽  
Dielectric Absorption ◽  
Free Hydroxyl ◽  
Sterically Hindered ◽  
High Dielectric

It has been previously suggested that the high dielectric absorption of certain crystalline forms of long-chain alcohols is associated with hydrogen-bonding of the hydroxyl groups. This theory is supported by the results given in the present paper, which show that with other alcohols, in which the hydroxyl groups are sterically hindered, the loss is almost completely eliminated. The smallest losses are obtained with triphenylcarbinol and cholesterol which both possess hydroxyl groups embedded in a bulky molecular structure. For the former compound, infra-red data from the literature indicate the absence of any appreciable amount of hydrogen-bonding and are thus in agreement with the evidence from dielectric measurements. High frequency absorption observed in these compounds is considered to be associated with dipole orientation resulting from hindered rotation of the free hydroxyl groups. The effects of steric hindrance of the hydroxyl group are also observed in tert.-butanol.

scholarly journals SIGNIFICANCE OF THE HYDROXYL GROUPS OF STEROIDS IN PROMOTING GROWTH

1954 ◽  
Vol 100 (3) ◽  
pp. 241-246 ◽  
Author(s):  
Charles Huggins ◽  
Elwood V. Jensen
Keyword(s):  
Hydroxyl Group ◽  
Hydroxyl Groups ◽  
Critical Importance ◽  
Hydrogen Atoms ◽  
Albino Rat ◽  
Ketone Group ◽  
Related Compounds

The presence of a 17ß-hydroxyl group endows the simple androstane molecule with the ability to produce growth of the uterus, vagina, and prostate of the female hypophysectomized albino rat. It appears that hydrogen atoms at position 17 are of critical importance since related compounds with a ketone group at this site are inactive. Monofunctional steroids with a hydroxyl or a ketone group at position 3 likewise are devoid of activity. If a phenolic A-ring is present in monofunctional steroids the 17ß-hydroxyl group is not obligatory for growth. Proliferation of the uterus and vagina were found to follow the administration of 17-desoxyestradiol.

Activation of the Hydrogen-Terminated Diamond [100] by Hydrogen Atoms and Hydroxyl Groups

2020 ◽  
Vol 996 ◽  
pp. 151-156
Author(s):  
Xiao Gang Jian ◽  
Ji Bo Hu ◽  
Xin Huang ◽  
Pei Kang Yang ◽  
Jun Peng Wang
Keyword(s):  
Hydrogen Atom ◽  
Low Temperature ◽  
Density Functional ◽  
Diamond Surface ◽  
Hydroxyl Group ◽  
Hydroxyl Groups ◽  
Hydrogen Atoms ◽  
Activation Rate ◽  
Limiting Stage ◽  
Rate Limiting

The process of producing active vacancies on a hydrogen-terminated diamond surface is the most important rate-limiting stage in CH4/H2 and CH4/H2/CO2 atmospheres. Hydrogen atom and the hydroxyl group can bone to the hydrogen atom on the diamond surface and create an active vacancy. Density functional theory (DFT) was used to study the extraction reaction by two reactants both hydrogen atom and the hydroxyl group. The result indicated that the hydroxyl group could reduce the energy required for diamond surface activation. What is more, the activation rate of the surface by the hydroxyl group was livelier at low temperature, while the activation rate of the hydrogen atom predicts on the contrary. The scanning electron microscope (SEM) and Raman spectra demonstrated that the introduction of CO2 in the CH4/H2 atmosphere could reduce the deposition temperature and raise the deposition rate at low temperature.

Cyclic organophosphorus compounds. I. Synthesis and infrared spectral studies of cyclic hydrogen phosphites and thiophosphites

1967 ◽  
Vol 45 (21) ◽  
pp. 2501-2512 ◽  
Author(s):  
A. Zwierzak
Keyword(s):  
Hydrogen Bonding ◽  
Organophosphorus Compounds ◽  
Spectral Studies ◽  
Effect Of Solvent ◽  
Dipole Interactions ◽  
Synthetic Procedure ◽  
Infrared Spectral

A general synthetic procedure leading to cyclic hydrogen phosphites has been devised. The effect of solvent on the P==O and P—H infrared stretching modes of cyclic hydrogen phosphites and thiophosphites has been studied. It is concluded that association of cyclic hydrogen phosphites is attributable to dipole–dipole interactions rather than to hydrogen bonding.

The Metal Complexes of Heterocyclic β-Diketones and their Derivatives, Part VIII Synthesis, Structure, Proton NMR and Infrared Spectral Studies of the Complexes of Al(III), Fe(III), Co(III), Rh(III), In(III), and Zr(IV) with l-Phenyl-3-methyl-4-trifluoroacetyl-pyrazolone-5 (HPMTFP)

1981 ◽  
Vol 36 (2) ◽  
pp. 213-217 ◽  
Author(s):  
Emmanuel Chukwuemeka Okafor
Keyword(s):  
Infrared Spectroscopy ◽  
Ir Spectra ◽  
Metal Complexes ◽  
Magnetic Moment ◽  
Proton Nmr ◽  
Spectral Studies ◽  
Elemental Analyses ◽  
Infrared Spectral ◽  
Pmr Spectra ◽  
Neutral Metal

New complexes of Al(III), Fe(III), Co(III), Rh(III), In(III) and Zr(IV) with 1-phenyl- 3-methyl-4-trifluoroacetyl-pyrazolone-5, (HPMTFP), have been synthesized and characterized by means of elemental analyses, conductivity and magnetic moment measurements, proton NMR and infrared spectroscopy. It is concluded that the ligand, HPMTFP, reacts as a bidentate enol forming neutral metal chelates. The PMR spectra of chelates sufficiently soluble in deuterated NMR solvents were recorded and studied. The IR spectra are measured between 4000-200 cm-1 and assignments are proposed for the observed frequencies. The M-O stretching frequency follows the order: AI > Rh > Fe = Co = Zr > In.

Towards clathrates. 2. The frozen states of hydration of tert-butanol

2018 ◽  
Vol 233 (1) ◽  
pp. 41-49 ◽  
Author(s):  
Lukasz Dobrzycki
Keyword(s):  
Single Crystal ◽  
Crystalline Phase ◽  
Ambient Pressure ◽  
Water System ◽  
Hydroxyl Group ◽  
Molar Ratio ◽  
Water Molecules ◽  
Hydroxyl Groups ◽  
Hydrogen Atoms ◽  
Ir Laser

AbstractA new crystal structure oftert-butanol and water crystallizing as the decahydrate is reported. The crystallization of the mixture in the desired molar ratio was performed in a capillary placed directly on a goniometer of a single crystal diffractometer at 200 K and ambient pressure using focused IR laser radiation. The crystals were grown while the melting zone formed by the IR laser was moved along the capillary. Usually the crystallization process should be long enough (hours) in order to obtain a good quality single crystal. However, in the case oftert-butanol decahydrate, such a long process led to separation of the ice and alcohol. Only fast crystallization taking tens of seconds allowed crystallization of the desired crystalline phase. In the decahydratetert-butanol molecules are located in channels formed by water molecules. Hydroxyl groups are anchored to the water framework via hydrogen bonds. All water molecules in the structure have hydrogen atoms disordered equally over two sites; the hydroxyl group is likewise disordered. This effect is observed at both, 200 K and 100 K. Raman spectra recorded for the crystalline phase suggest dynamic disorder at higher temperature, converting to static at lowerT. The decahydrate oftert-butanol, together with already known itsdi- andhepta-hydrates, display similar features to those observed for series oftert-butylamine hydrates. The latter structures behave as frozen steps of amine hydration observed as crystal structures leading, at maximum dilution, to hexagonal ice. Hydrates oftert-butanol nicely follow this tendency completing the relationship found for thetert-butylamine: water system.

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