Tag: M.W=100-150

Zhang, Yingjie published the artcileLanthanoid Heteroleptic Complexes with Cucurbit[5]uril and Dicarboxylate Ligands: From Discrete Structures to One-Dimensional and Two-Dimensional Polymers, Computed Properties of 110-99-6, the main research area is cucurbituril dicarboxylate lanthanoid discrete polymer preparation crystal mol structure; electronic structure cucurbituril diglycolate glutarate lanthanoid complex.

Lanthanoid heteroleptic complexes with cucurbit[5]uril {Q[5]} and two dicarboxylate ligands, e.g., diglycolic acid (H2DGC) and glutaric acid (H2GT), have been investigated with six new compounds featuring a tetrametallic and dimetallic discrete structures, a one-dimensional (1D) polymer, and three two-dimensional (2D) polymers with a unique honeycomb-type topol. being synthesized and structurally characterized. [La4(Q[5])3(DGC)2(NO3)2(H2O)12][La(DGC)(H2O)6]·7NO3·nH2O (1) has a tetrametallic structure constructed with three bis-bidentate Q[5] ligands linking two [La(DGC)(H2O)2]+ species in the middle and two [La(H2O)4(NO3)]2+ species at both ends. [Ce2(Q[5])(DGC)(NO3)(H2O)10]·3NO3·4H2O (2) has a dimetallic structure built up with a bis-bidentate Q[5] ligand linking [Ce(DGC)(H2O)3(NO3)] and [Ce(H2O)7]3+ on each side of the Q[5] portals. [Ce3(Q[5])3(DGC)2(H2O)9][Ce(DGC)(H2O)6]2·7NO3·nH2O (3) has a 1D polymeric structure built up with bis-bidentate Q[5] ligands in-turn linking one [Ce(H2O)6]3+ and two [Ce(DGC)(H2O)6]1+ cationic species. [Ln2(Q[5])2(GT)(H2O)6]·4NO3·nH2O [Ln = La (4), Ce (5) and Nd (6)] have similar 2D polymeric structures built up with two types of 9-fold coordinated Ln polyhedra linked by Q[5] via bis-bidentate carbonyl groups on both sides forming 1D chains which are further connected by bridging GT2- ligands to form 2D polymers with a unique honeycomb-type topol. Their vibrational modes and electronic structures have also been investigated.

Inorganic Chemistry published new progress about Crystal structure. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, Computed Properties of 110-99-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Bing-Ben published the artcileLuminescent tetra-nuclear lanthanide-titanium-organic compound obtained by the mixed-ligand, Formula: C4H6O5, the main research area is nuclear lanthanide titanium organic compound mixed ligand luminescence.

A new heterometallic lanthanide-titanium-organic compound: [Eu2Ti2(dip)6(dig)2(H3O)2]·solvent (1, dip = diphenylglycolic acid, dig = diglycolic acid) has been synthesized under solvothermal conditions. Compound 1 contains a tetra-nuclear {Eu2Ti2} unit with the mixed ligands of dip and dig. Compound 1 displays intense red luminescence. Furthermore, the IR, PXRD, UV-vis and TGA spectra were also studied.

Chinese Journal of Structural Chemistry published new progress about Crystal structure. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, Formula: C4H6O5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Brager, Dominique M. published the artcilePb-Oxo Interactions in Uranyl Hybrid Materials: A Combined Experimental and Computational Analysis of Bonding and Spectroscopic Properties, Recommanded Product: 2,2′-Oxydiacetic acid, the main research area is solvothermal preparation lead uranyl terpyridine phenanthroline dicarboxylate tricarboxylate complex; crystal structure lead uranyl terpyridine phenanthroline dicarboxylate tricarboxylate complex; mol structure lead uranyl terpyridine phenanthroline dicarboxylate tricarboxylate complex; luminescence lead oxo uranyl terpyridine phenanthroline dicarboxylate tricarboxylate complex.

Reported are the syntheses and characterization of six new heterometallic UO22+/Pb2+ compounds The compounds are [UO2Pb(C4H4O5)2(H2O)].H2O (1), [UO2Pb(C15H11N3)(C9H6O6)(NO3)] (2), [UO2Pb(C15H11N3)(C9H6O6)(NO3)] (3), [UO2Pb2(C7H5NO4)2(NO3)2(H2O)2] (4), [UO2Pb(C8H6N4)(C10H2O8)].2H2O (5), and [UO2Pb(C15H11N3)(C10H10O4)4] (6). These materials feature rare instances of M-oxo interactions, which influence the bonding properties of the uranyl cation. The spectroscopic effects of these interactions were measured using luminescence and Raman spectroscopy. Computational d. functional theory-based natural bonding orbital and quantum theory of atoms in mols. methods indicate interactions arise predominantly through charge transfer between cationic units via the electron-donating uranyl O spx lone pair orbitals and electron-accepting Pb2+ p orbitals. The interaction strength varies as a function of Pb-oxo interaction distance and angle with energy values ranging from 0.47 kcal/mol in the longer contacts to 21.94 kcal/mol in the shorter contacts. Uranyl units with stronger interactions at the oxo display an asym. bond weakening and a loss of covalent character in the U=O bonds interacting closely with the Pb2+ ion. Luminescence quenching is observed in cases in which strong Pb-oxo interactions are present and is accompanied by red shifting of the uranyl sym. Raman stretch. Changes to inner sphere uranyl bonding manifest as a weakening of the U=O bond as a result of interaction with the Pb2+ ion. Comprehensive evaluation of the effects of metal ions on uranyl spectra supports modeling efforts probing uranyl bonding and may inform applications such as forensic signatures.

Inorganic Chemistry published new progress about Crystal structure. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, Recommanded Product: 2,2′-Oxydiacetic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kosakivska, Iryna V. published the artcileMolecular mechanisms of plant adaptive responses to heavy metals stress, Application of (S)-2-hydroxysuccinic acid, the main research area is review plant adaptive response heavy metal stress; heavy metals; micronutrients; pollutants; redistribution; transport.

Heavy metals (HMs) are among the main environmental pollutants that can enter the soil, water bodies, and the atm. as a result of natural processes (weathering of rocks, volcanic activity), and also as a result of human activities (mining, metallurgical and chem. industries, transport, application of mineral fertilizers). Plants counteract the HMs stresses through morphol. and physiol. adaptations, which are imparted through well-coordinated mol. mechanisms. New approaches, which include transcriptomics, genomics, proteomics, and metabolomics analyses, have opened the paths to understand such complex networks. This review sheds light on mol. mechanisms included in plant adaptive and defense responses during metal stress. It is focused on the entry of HMs into plants, its transport and accumulation, effects on the main physiol. processes, gene expressions included in plant adaptive and defense responses during HM stress. Anal. of new data allowed the authors to conclude that the most important mechanism of HM tolerance is extracellular and intracellular HM sequestration. Organic anions (malate, oxalate, etc.) provide extracellular sequestration of HM ions. Intracellular HM sequestration depends not only on a direct binding mechanism with different polymers (pectin, lignin, cellulose, hemicellulose, etc.) or organic anions but also on the action of cellular receptors and transmembrane transporters. We focused on the functioning chloroplasts, mitochondria, and the Golgi complex under HM stress. The currently known mol. mechanisms of plant tolerance to the toxic effects of HMs are analyzed.

Cell Biology International published new progress about Chemical industry. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Application of (S)-2-hydroxysuccinic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kamatani, Yoshio published the artcileReaction of an oxadiazinetrione derivative and its application to polyurethane coatings, SDS of cas: 2212-32-0, the main research area is isocyanate oxadiazinetrione derivative crosslinker; amine catalyst urethane formation; phosphine catalyst urethane formation; lead octanoate catalyst; polyurethane coating crosslinking agent.

In the reaction of 3,5-bis(6-isocyanatohexyl)-2H-1,3,5-oxadiazine-2,4,6(3H,5H)-trione (I) [50639-37-7] with H(OCH2CH2)2OMe [111-77-3] in solution at 70°, tertiary amines, Bu3P, and Pb octanate were good catalysts, giving conversions of 87-100%. In the reaction of I with Bu methacrylate-hydroxyethyl methacrylate-iso-Bu methacrylate-styrene copolymer  [77402-19-8] to give a coating, tertiary amines were suitable catalysts. In curing polyurethane coatings at relative humidity (RH) 0% and 50%, I is a little more reactive than tris(6-isocyanatohexyl)biuret (II), and the dependence of I reactivity on RH is smaller than that of II. Coatings from I-based polyurethanes had good curability in early stages, while those from II- and tris(6-isocyanatohexyl)isocyanurate-based polyurethanes required 2-3 times longer to attain the same hardness.

Polymeric Materials Science and Engineering published new progress about Coating materials. 2212-32-0 belongs to class alcohols-buliding-blocks, name is N2-(2-Hydroxyethyl)-N1,N1,N2-trimethyl-1,2-ethylenediamine, and the molecular formula is C7H18N2O, SDS of cas: 2212-32-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kamatani, Yoshio published the artcileReaction of an oxadiazinetrione derivative and its application to polyurethane coatings, Related Products of alcohols-buliding-blocks, the main research area is oxadiazinetrione reaction isocyanate amine catalyst; crosslinker oxadiazinetrione derivative polyurethane coating.

Tertiary amines were used as catalysts for the reaction of oxadiazinetrione (I) and primary hydroxyl groups and comparable reactivities of NCO groups and I were easily obtained. I derivatives of hexamethylene diisocyanate were useful as hardeners for polyurethane coatings curable at ambient temperature Coating compositions prepared from I prepolymers and polyols showed short drying and hardening time and low curing temperature The coating film had good phys. and chem. properties.

Journal of Coatings Technology published new progress about Coating materials. 2212-32-0 belongs to class alcohols-buliding-blocks, name is N2-(2-Hydroxyethyl)-N1,N1,N2-trimethyl-1,2-ethylenediamine, and the molecular formula is C7H18N2O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Murray, Jane S. published the artcileA general model for the solubilities of gases in liquids, Formula: C8H18O, the main research area is general model solubility gas liquid; Aqueous solutions; Coulombic interactions; Dispersion; Electrostatic potentials; Gaseous solubility; Organic solvents; Polarizability.

The solubility of a compound is one of its most important properties. Here, regression relationships are presented for solubilities of a series of gases in water and in four organic solvents, treating each solvent sep. The solubilities are related to the Coulombic intermol. interactions arising from the intrinsic polarities of the solute mols. and the polarities induced in them by the solvent. As a measure of intrinsic polarity, a statistical quantity defined in terms of the solute’s mol. electrostatic potential is used, and the measure of induced polarity is taken to be the solute’s mol. polarizability. Regression analyses show that solubility in water is best expressed in terms of just the intrinsic polarities of the solutes, but for the organic solvents, it is necessary to take into account both the intrinsic and the induced polarities of the solutes. If the dielec. constant of the solvent is included in the regression anal., then a single relationship can encompass all four organic solvents. Solute mol. volumes were not found to contribute significantly to the present relationships.

Journal of Molecular Modeling published new progress about Coulomb potential. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kirk, Ansgar T. published the artcileImproving Ion Mobility Spectrometer Sensitivity through the Extended Field Switching Ion Shutter, HPLC of Formula: 111-87-5, the main research area is ion mobility spectrometer sensitivity; detection proton bound dimer measured ketone.

Field switching ion shutters allow generating short ion packets with high ion densities by first ionizing for several milliseconds in a field-free ionization region and then quickly pushing the entire ion population out into the drift region. Thus, they are an excellent choice for compact ion mobility spectrometers with both high resolving power and low limits of detection. Here, we present an improved setup, named the extended field switching ion shutter. By generating a second field-free region between the ionization region and the drift region, shielding of the ionization region is significantly improved, even when using grids with higher optical transparency to improve ion transmission into the drift region. Furthermore, it is shown that under certain conditions, ion transmission through multiple grids in series can even surpass transmission through a single grid of the same transparency. For the studied ions, the signal intensity at low concentrations increases by approx. a factor of 7 to 9 for protonated monomers, 10 to 14 for proton-bound dimers, and 25 for the proton-bound 1-octanol trimer compared to the classical field switching shutter. However, due to the nonlinear response for ions containing multiple analyte mols., the limits of detection improve only by a factor of 3 to 4 for proton-bound dimers and 3 for the proton-bound 1-octanol trimer. Nevertheless, this still leads to single-digit pptv limits of detection for protonated monomers and hundred pptv limits of detection for proton-bound dimers measured for a series of ketones. However, for the most intense peaks such as the reactant ion peak, a significant loss of resolving power by a factor of up to 1.4 was observed due to Coulomb repulsion.

Analytical Chemistry (Washington, DC, United States) published new progress about Coulomb potential. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, HPLC of Formula: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Volkova, Tatyana V. published the artcileComparative analysis of solubilization and complexation characteristics for new antifungal compound with cyclodextrins. Impact of cyclodextrins on distribution process, Safety of n-Octanol, the main research area is antifungal compound cyclodextrin distribution process solubilization complexation characteristics; Antifungal compound; Distribution coefficient; Solubility-distribution interplay; Stability constant.

From a pharmaceutical standpoint, cyclodextrin-based products have deservedly gained substantial market share due to their ability to improve undesirable physicochem. properties of drugs. In this study the solubility of a potenial antifungal compound (L-173) has been improved essentially by addition of β-cyclodextrin (β-CD), 2-hydroxypropyl-β-cyclodextrin (HP-β-CD), and heptakis(2,6-di-O-methyl)-β-cyclodextrin (DM-β-CD) in aqueous solutions (pH 2.0 and pH 7.4) at 298.15-313.15 K. The phase solubility diagrams were constructed. The stoichiometric ratio of the complexes was determined as 1:1. The stability constants of L-173 with all three CDs in acidic medium belong to the range optimal for the improvement of the bioavailability of hydrophobic drugs. DM-β-CD was assigned as the best solubilizer for L-173. The driving forces of the solubilization and complexation process were revealed by evaluating the thermodn. parameters. The distribution behavior of L-173 in the 1-octanol/buffer and 1-hexane buffer systems at pH 2.0 and pH 7.4 in the presence of different CDs concentrations was studied. The reduction of the distribution coefficients with the increasing of CD concentration was detected due to complex formation. Based on the anal. of the solubility-distribution relationship, the L-173 partitioning between the biol. tissues and penetration through the biol. membranes in case when cyclodextrins are used as solubilizers was evaluated, and the optimal CD concentrations were proposed.

European Journal of Pharmaceutical Sciences published new progress about Aqueous solutions. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Safety of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pishnamazi, Mahboubeh published the artcileComputational modeling of drug separation from aqueous solutions using octanol organic solution in membranes, SDS of cas: 111-87-5, the main research area is ibuprofen isobutylacetophenone octanol drug separation membrane computational modeling.

Continuous membrane separation of pharmaceuticals from an aqueous feed was studied theor. by development of high-performance mechanistic model. The model was developed based on mass and momentum transfer to predict separation and removal of ibuprofen (IP) and its metabolite compound, i.e. 4-isobutylacetophenone (4-IBAP) from aqueous solution The modeling study was carried out for a membrane contactor considering mass transport of solute from feed to organic solvent (octanol solution). The solute experiences different mass transfer resistances during the removal in membrane system which were all taken into account in the modeling. The model’s equations were solved using computational fluid dynamic technique, and the simulations were carried out to understand the effect of process parameters, flow pattern, and membrane properties on the removal of both solutes. The simulation results indicated that IP and 4-IBAP can be effectively removed from aqueous feed by adjusting the process parameters and flow pattern. More removal was obtained when the feed flows in the shell side of membrane system due to improving mass transfer. Also, feed flow rate was indicated to be the most affecting process parameter, and the highest solute removal was obtained at the lowest feed flow rate.

Scientific Reports published new progress about Aqueous solutions. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, SDS of cas: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts