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Shang Liu, Samantha L Thompson, Harald Stark, Paul J Ziemann, Jose L Jimenez
Gas-phase carboxylic acids are ubiquitous in ambient air, yet their indoor occurrence and abundance are poorly characterized. To fill this gap, we measured gas-phase carboxylic acids in real-time inside and outside of a university classroom using a high-resolution time-of-flight chemical ionization mass spectrometer (HRToF-CIMS) equipped with an acetate ion source. A wide variety of carboxylic acids were identified indoors and outdoors, including monoacids, diacids, hydroxy acids, carbonyl acids, and aromatic acids...
April 18, 2017: Environmental Science & Technology
Poul Erik Hansen, Jens Spanget-Larsen
For the purpose of this review, strong hydrogen bonds have been defined on the basis of experimental data, such as OH stretching wavenumbers, νOH, and OH chemical shifts, δOH (in the latter case, after correction for ring current effects). Limits for O-H···Y systems are taken as 2800 > νOH > 1800 cm(-1), and 19 ppm > δOH > 15 ppm. Recent results as well as an account of theoretical advances are presented for a series of important classes of compounds such as β-diketone enols, β-thioxoketone enols, Mannich bases, proton sponges, quinoline N-oxides and diacid anions...
March 29, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Wu-Xi Zhou, Yuan-Yuan Sun, Wei-Hui Yuan, Yu-Qing Zhao
(20R)-25-Methoxyl-dammarane-3β,12β,20-triol (25-OCH3-PPD, AD-1) is a dammarane-type sapogenin showing anti-tumor potential. In the search for new anti-tumor agents with higher potency than our previously identified compound 25-OCH3-PPD, 11 novel sulfamic acid and diacid derivatives that could improve water solubility and contribute to good drug potency and pharmacokinetic profiles were designed and synthesized. Their in vitro anti-tumor activities in MCF-7, A-549, HCT-116, and BGC-823 cell lines and one normal cell line were tested by standard MTT assay...
March 18, 2017: Steroids
Robert W Haushalter, Ryan M Phelan, Kristina M Hoh, Cindy Su, George Wang, Edward E K Baidoo, Jay D Keasling
Dicarboxylic acids are commodity chemicals used in the production of plastics, polyesters, nylons, fragrances, and medications. Bio-based routes to dicarboxylic acids are gaining attention due to environmental concerns about petroleum-based production of these compounds. Some industrial applications require dicarboxylic acids with specific carbon chain lengths, including odd-carbon species. Biosynthetic pathways involving cytochrome P450-catalyzed oxidation of fatty acids in yeast and bacteria have been reported, but these systems produce almost exclusively even-carbon species...
March 21, 2017: Journal of the American Chemical Society
Nicolas J Vigilante, Manish A Mehta
We report an analysis of the (13)C solid-state NMR chemical shift data in a series of four cocrystals involving two active pharmaceutical ingredient (API) mimics (caffeine and theophylline) and two diacid coformers (malonic acid and glutaric acid). Within this controlled set, we make comparisons of the isotropic chemical shifts and the principal values of the chemical shift tensor. The dispersion at 14.1 T (600 MHz (1)H) shows crystallographic splittings in some of the resonances in the magic angle spinning spectra...
March 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
Tsugihiko Hirano, Keiichi Yokochi, Koretaro Takahashi
The purpose of the present study is to bear our hypothesis and to make a profound discussion on the theoretical aspects of triacylglycerin (TG) positional isomer separation on reverse phase high performance liquid chromatography (HPLC). Authentic triacid TG positional isomers and authentic diacid TG positional isomers were injected to a monomeric and polymeric HPLC. Relationship between TG molecular structure and those elution profiles were carefully analyzed. In polymeric column, thickness of the ODS chain is high compared to monomeric column...
February 24, 2017: Journal of Oleo Science
Dorothee Barth, Marilyn G Wiebe
Galactaric (mucic) acid is a symmetrical six carbon diacid which can be produced by oxidation of galactose with nitric acid, electrolytic oxidation of D-galacturonate or microbial conversion of D-galacturonate. Both salts and the free acid of galactarate have relatively low solubility, which may create challenges for a microbial host. Galactaric acid was most soluble at pH values around 4.7 in the presence of ammonium or sodium ions and less soluble in the presence of potassium ions. Solubility increased with increasing temperature...
February 12, 2017: Applied Microbiology and Biotechnology
Michelle C Fairhurst, Michael J Ezell, Carla Kidd, Pascale S J Lakey, Manabu Shiraiwa, Barbara J Finlayson-Pitts
Atmospheric particles adversely affect visibility, health, and climate, yet the kinetics and mechanisms of particle formation and growth are poorly understood. Multiphase reactions between amines and dicarboxylic acids (diacids) have been suggested to contribute. In this study, the reactions of n-butylamine (BA) with solid C3-C8 diacids were studied at 296 ± 1 K using a Knudsen cell interfaced to a quadrupole mass spectrometer. Uptake coefficients for amines on the diacids with known geometric surface areas were measured at initial amine concentrations from (3-50) × 10(11) cm(-3)...
January 30, 2017: Physical Chemistry Chemical Physics: PCCP
Jonathan J Faig, Alysha Moretti, Laurie B Joseph, Yingyue Zhang, Mary Joy Nova, Kervin Smith, Kathryn E Uhrich
Kojic acid (KA) is a naturally occurring fungal metabolite that is utilized as a skin-lightener and antibrowning agent owing to its potent tyrosinase inhibition activity. While efficacious, KA's inclination to undergo pH-mediated, thermal-, and photodegradation reduces its efficacy, necessitating stabilizing vehicles. To minimize degradation, poly(carbonate-esters) and polyesters comprised of KA and natural diacids were prepared via solution polymerization methods. In vitro hydrolytic degradation analyses revealed KA release was drastically influenced by polymer backbone composition (e...
January 26, 2017: Biomacromolecules
Anuj Kumar, Somesh Banerjee, Partha Roy, S M Sondhi, Anuj Sharma
Cyclic imides are well known to be very important antitumor agents such as mitonafide and amonafide etc. Based on this fact, we have synthesized two series of cyclic imide derivatives containing two cyclic imide moiety in their structures (bis-cyclic imides) and screened them for in vitro anticancer activity against five human cancer cell lines i.e. breast (T47D), lung (NCl H-522), colon (HCT-15), ovary (PA-1) and liver (Hep G2). One series of bis-cyclic imide derivatives (3a-h) have been synthesized by condensation of acid anhydrides (1a-b) with diamines (2a-d) and another series (9a-f, 10a-f, 11a-f and 12a-f) by condensation of various diamines (4a-f) with diacids (5-8) in good yields...
December 10, 2016: Bioorganic & Medicinal Chemistry Letters
Saripalli V Raghava, Pushparathinam Gopinath, Bhartendu K Srivastava, Venkatachalam Ramkumar, Kannoth M Muraleedharan
A design approach that incorporates structural requirements for the formation of a 1D assembly, fibril stability, and fibril-fibril interactions for gelation was attempted by using amino acid-based sulfamides with the general structure Aa-NH-SO2 -NH-Aa (Aa=amino acid). A preference for 1D assembly alone was not a sufficient condition for gelation, which became evident from studies involving sulfamide esters 1-5. Reducing the crystallization tendency without hindering unidirectional growth was executed through diacids of the sulfamide precursors with various amines that form an envelope around the sulfamide core through salt bridges...
March 13, 2017: Chemistry: a European Journal
Chandra Mouli Pavuluri, Kimitaka Kawamura
To investigate the applicability of compound specific stable carbon isotope ratios (δ(13)C) of organics in assessment of their photochemical aging in the atmosphere, batch UV irradiation experiments were conducted on two ambient (anthropogenic and biogenic) aerosol samples in aqueous phase for 0.5-120 h. The irradiated samples were analyzed for δ(13)C of diacids, glyoxylic acid (ωC2) and glyoxal. δ(13)C of diacids and related compounds became larger with irradiation time (i.e., aging), except for few cases...
November 4, 2016: Scientific Reports
Milagros Navarro-González, Vanesa Ortega-López, Juana I Lópéz-Fernández, Mariano Amo-Salas, Salvador González-Carcedo
Land application is one of the important disposal alternatives for sewage sludge, but availability of potential toxic metals often restricts its uses. Three phosphorous-based salts (Na2H2P2O7, K4P2O7, KH2PO4) were studied as potential metal extractants. The conclusions of the research were that greater extractive efficiency is achieved through a 30-min process of vertical shaking with disodium diacid pyrophosphate - Na2H2P2O7 - at a concentration of 0.2 M at pH 2. Alternatively, the optimized process with oscillating shaking equipment would require 60 min...
November 24, 2016: Environmental Technology
Dimuthu C Senevirathna, Victoria L Blair, Melissa V Werrett, Philip C Andrews
Eight novel bismuth(III) sulfonato compounds have been synthesized and characterized using the sonochemical reaction of Bi2O3 with a range of sulfonic acids, including 2,5-dimethylbenzenesulfonic acid (2,5-DMSH), 2,4-dinitrobenzenesulfonic acid (2,4-DNSH), 2,5-dichlorobenzenesulfonic acid (2,5-DCSH), 1,2-benzenedisulfonic acid (1,2-BDSH2), 1,3-benzenedisulfonic acid (1,3-BDSH2), 2-sulfobenzoic acid (2-SBH2), 3-sulfobenzoic acid (3-SBH2), and 2-naphthalenesulfonic acid (NPSH). Six of the complexes (1, 2, 4, and 6-8) were structurally characterized through single-crystal X-ray crystallography...
November 7, 2016: Inorganic Chemistry
Qingqing Sun, Yanchao Lü, Lingling Liu, Kaiqiang Liu, Rong Miao, Yu Fang
Supramolecular approach plays pivotal role in the construction of smart and functional materials due to the reversible nature of noncovalent interactions. In the present work, two compounds, cholesterol-functionalized calix[4]pyrrole (CCP) and perylene bisimide diacid (PDA), were synthesized. Little fluorescence is observed in the ethanol solution of the mixture of CCP and PDA, while the solution turns fluorescent upon introduction of ammonia, which is attributed to the formation of a supramolecular ensemble, PDA/(CCP)2/NH3...
October 5, 2016: ACS Applied Materials & Interfaces
A Gorski, A Starukhin, S Stavrov, S Gawinkowski, J Waluk
Resonance Raman microscopy was used to study the resonance Raman scattering of the diacid (diprotonated form) of free-base porphyrin (21H,23H-porphine) in a crystal powder and KBr pellets. Intensive lines in the spectral range between 100÷1000cm(-1) have been detected and assigned as spectral manifestation of out-of-plane modes. The Raman spectra were simulated by means of DFT methods and compared with the experimental data. It is evident from experimental and theoretical results that the activation of out-of-plane modes arises from saddle distortion of the porphyrin macrocycle upon formation of its diprotonated form...
February 15, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Guillermo Schmeda-Hirschmann, Cristina Quispe, Gabriel Vargas Arana, Cristina Theoduloz, Félix A Urra, César Cárdenas
Little is known on the composition of Peruvian Amazon toad venoms. The large toad Rhinella marina is common in the cleared tropical forests of the Iquitos region and is regarded as poisonous. The venom from two different populations of R. marina was collected in the Departamento de Loreto, Perú. The samples were assessed for antiproliferative effect and composition. Some 29 compounds were identified or tentatively identified from the venom by spectroscopic and spectrometric means. The main free bufadienolide was marinobufagin 7 while marinobufotoxin 15 and bufalitoxin 9 were the main bufadienolide argininyl diacid derivatives...
October 2016: Toxicon: Official Journal of the International Society on Toxinology
Janeni Natarajan, Queeny Dasgupta, Shreya N Shetty, Kishor Sarkar, Giridhar Madras, Kaushik Chatterjee
Designing biomaterials for bone tissue regeneration that are also capable of eluting drugs is challenging. Poly(ester amide)s are known for their commendable mechanical properties, degradation, and cellular response. In this regard, development of new poly(ester amide)s becomes imperative to improve the quality of lives of people affected by bone disorders. In this framework, a family of novel soybean oil based biodegradable poly(ester amide)s was synthesized based on facile catalyst-free melt-condensation reaction...
September 28, 2016: ACS Applied Materials & Interfaces
Roger Verdaguer, Marçal Soler, Olga Serra, Aïda Garrote, Sandra Fernández, Dolors Company-Arumí, Enriqueta Anticó, Marisa Molinas, Mercè Figueras
Suberin and wax deposited in the cork (phellem) layer of the periderm form the lipophilic barrier that protects mature plant organs. Periderm lipids have been widely studied for their protective function with regards to dehydration and for how they respond to environmental stresses and wounding. However, despite advances in the biosynthetic pathways of suberin and associated wax, little is known about the regulation of their deposition. Here, we report on a potato NAC transcription factor gene, StNAC103, induced in the tuber phellem (skin)...
October 2016: Journal of Experimental Botany
Gregory M Treich, Shamima Nasreen, Arun Mannodi Kanakkithodi, Rui Ma, Mattewos Tefferi, James Flynn, Yang Cao, Rampi Ramprasad, Gregory A Sotzing
Recently, there has been a growing interest in developing wide band gap dielectric materials as the next generation insulators for capacitors, photovoltaic devices, and transistors. Organotin polyesters have shown promise as high dielectric constant, low loss, and high band gap materials. Guided by first-principles calculations from density functional theory (DFT), in line with the emerging codesign concept, the polymer poly(dimethyltin 3,3-dimethylglutarate), p(DMTDMG), was identified as a promising candidate for dielectric applications...
August 24, 2016: ACS Applied Materials & Interfaces
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