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Fengbo Li, Xiaoyu Li, Pu Cui
Paecilomyces catenlannulatus (P. catenlannulatus) as a genus of entomogenous fungus presented a variety of surface reactive groups by batch characterizations. The detoxification of U(VI) by P. catenlannulatus was investigated under different water chemistry (pH, incubation time, foreign anions and U(VI) concentration) by batch techniques. Approximately 75% of U(VI) was reduced to U(IV) (i.e., U(IV) O2 (s)) by P. catenlannulatus at pH 5.5 and 7 days under glovebox conditions, therefore the formation of precipitates decreased the toxicity of U(VI) for P...
March 17, 2018: Journal of Environmental Radioactivity
Andrew J Clulow, Malinda Salim, Adrian Hawley, Elliot P Gilbert, Ben Boyd
Efforts to develop orally-administered drugs tend to place an exceptional focus on aqueous solubility as this is an essential criterion for their absorption in the gastro-intestinal tract. In this work we examine the solid state behaviour and solubility of OZ439, a promising single-dose cure for malaria being developed as the highly water-soluble mesylate salt. The aqueous phase behaviour of the OZ439 mesylate salt was determined using a combination of small angle neutron and X-ray scattering (SANS and SAXS, respectively)...
March 20, 2018: Molecular Pharmaceutics
Shuaifei Wang, Xiaoyan Qian, Yuanyu Chang, Jiayue Sun, Xiujing Xing, Wendy Fields Ballard, Jason J Chruma
The impact of the steric and electronic factors in both the para-substituted benzaldimine and 2,2-diarylglycine components on the regioselectivity and enantioselectivity of the palladium-catalyzed decarboxylative allylation of allyl 2,2-diarylglycinate aryl imines was explored. These studies revealed that using 2,2-di(2-methoxyphenyl)glycine as the amino acid linchpin allowed for the exclusive synthesis of the desired homoallylic benzophenone imine regioisomers, independent of the nature of the imine moiety, in typically high yields...
March 20, 2018: Journal of Organic Chemistry
Jérôme Long, Dimitry M Lyubov, Tatyana V Mahrova, Anton V Cherkasov, Georgy K Fukin, Yannick Guari, Joulia Larionova, Alexander A Trifonov
We report on the synthesis, structure and investigation of magnetic properties of a series of six heteroleptic complexes of the general formula [Ln(Tpm)X3]·yMeCN (Tpm = tris(3,5-dimethylpyrazolyl)methane; Ln = Tb, Dy, Er; X- = NO3-, Cl- and y = 1 or 2). We demonstrate that the observation of a field-induced slow relaxation of magnetization is highly dependent on the anion's nature. While nitrate moieties appear to be suitable to stabilize the oblate electronic density of Dy3+, chloride ions generate an equatorial crystal-field allowing the slow relaxation of the prolate Er3+ ions...
March 20, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Jeroen Sniekers, Pieter Geysens, Tom Vander Hoogerstraete, Luc Van Meervelt, Jan Fransaer, Koen Binnemans
Cobalt(ii)-containing ionic liquids were synthesized using N,N-dimethylformamide, N-methylpyrrolidone (NMP), dimethylsulfoxide (DMSO), N,N-dimethylacetamide (DMAc), pyridine-N-oxide (py-O), 1,10-phenanthroline (phen), ethylenediamine (en) and dimethylimidazolidinone (DMI) as ligands. The weakly coordinating bis(trifluoromethylsulfonyl)imide (Tf2N-) was used as a counter anion. Several compounds had a melting temperature below 100 °C, and the compound [Co(DMAc)6][Tf2N]2 was liquid at room temperature, with a viscosity of only 18 mPa s at 80 °C...
March 20, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Joachim Janda, Karsten Nödler, Heinz-Jürgen Brauch, Christian Zwiener, Frank T Lange
A simple and robust analytical method for the determination of perfluorinated carboxylic acids (PFCAs) with C2 to C8 chains, based on solid-phase extraction (SPE) and liquid chromatography-tandem mass spectrometry (LC-MS/MS), was developed, validated and applied to tap water, groundwater and surface water. Two stationary phases for LC (Obelisc N and Kinetex C18 ) and two materials with weak anion-exchange properties for SPE (Strata X-AW and Oasis WAX) were evaluated. Robust separation and retention was achieved with the reversed phase column and an acidic eluent...
March 19, 2018: Environmental Science and Pollution Research International
Erwei Li, Libing Liao, Guocheng Lv, Zhaohui Li, Chengxue Yang, Yanan Lu
With a layered structure, layered double hydroxide (LDH) has potential applications in remediation of anionic contaminants, which has been a hot topic for recent years. In this study, a Cl type Mg-Al hydrotalcite (Cl-LDH) was prepared by a co-precipitation method. The adsorption process of three pharmaceuticals and personal care products (PPCPs) [tetracycline (TC), diclofenac sodium (DF), chloramphenicol (CAP)] by Cl-LDH was investigated by X-ray diffraction (XRD), Zeta potential, dynamic light scattering (DLS), BET, Fourier transform infrared (FTIR) spectroscopy, and molecular dynamics simulation...
2018: Frontiers in Chemistry
Rashmi Vijayaraghavan, Vaishnavi Ellappan, Prabaharan Dharmar, Uma Lakshmanan
This study reports the surface interaction of the chemically modified marine unicellular cyanobacterium Synechococcus elongatus BDU130911 with uranium. The selective functional groups of the control (dead biomass) for binding with uranium in unicellular marine cyanobacteria were identified as carboxyl groups. The adsorption capacity of the biomass in a 1 mM uranium solution was found to be 92% in the control, 85% in the amine-blocked treatments, and 20% in the carboxyl-blocked treatments. The Langmuir isotherm provided a good fit to the data, suggesting a monolayer of uranium adsorption on all the tested biomass...
March 2018: 3 Biotech
J A Custodio-Mendoza, R A Lorenzo, I M Valente, P J Almeida, M A Lage, J A Rodrigues, A M Carro
A fast and effective method using a modified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) approach which includes partitioned liquid-liquid extraction (PLLE) and dispersive solid phase extraction (dSPE) clean-up step for the determination of seven 3-monochloropropane-1,2-diol (3-MCPD) fatty acid diesters in vegetable oils is developed and validated according to the Food and Drug Administration (FDA) guidelines. Due to the complexity of the matrices, combination of silica based sorbents (Silica Strong Anion Exchange (Si-SAX), Supel™ QuE Z-Sep+ (Z-Sep+) and Primary Secondary Amine (PSA) were tested for lipid removal...
March 13, 2018: Journal of Chromatography. A
Supone Manakasettharn, Akira Takahashi, Tohru Kawamoto, Keiko Noda, Yutaka Sugiyama, Tohru Nakamura
Ammonia gas is useful but caustic thus its concentration is monitored depending on applications. We prepared indium hexacyanoferrate nanoparticles (InHCF-NPs, HCF = [FeII (CN)6 ]4- ) with average diameter around 8 nm by simple reaction at room temperature between In cations and HCF anions, and found the unique functionality of InHCF-NPs which were capable of highly sensitive (16 ppb) and exceptionally wide range (190000, 16 ppb - 0.3 %) detection of ammonia gas within 6 min by IR measurements. Slope changes of the IR peak ratio of adsorbed ammonium over CN moieties in InHCF framework indicated a good log-log linear correlation along gas concentrations, in which wide dynamic range over 105 was realized for the first time in the field of ammonia gas detection...
March 20, 2018: Analytical Chemistry
J Rodríguez-Chueca, E Laski, C García-Cañibano, M J Martín de Vidales, Á Encinas, B Kuch, J Marugán
The high chemical stability and the low biodegradability of a vast number of micropollutants (MPs) impede their correct treatment in urban wastewater treatment plants. In most cases, the chemical oxidation is the only way to abate them. Advanced Oxidation Processes (AOPs) have been experimentally proved as efficient in the removal of different micropollutants at lab-scale. However, there is not enough information about their application at full-scale. This manuscript reports the application of three different AOPs based on the addition of homogeneous oxidants [hydrogen peroxide, peroxymonosulfate (PMS) and persulfate anions (PS)], in the UV-C tertiary treatment of Estiviel wastewater treatment plant (Toledo, Spain) previously designed and installed in the facility for disinfection...
March 2, 2018: Science of the Total Environment
Małgorzata Jakubowicz, Witold Nowak, Łukasz Gałgański, Danuta Babula-Skowrońska
In this report, the members of PP2C, SnRK2a and Rboh oxidase families from Arabidopsis and poplar were studied in silico, and the expression profiles of the some of them were specified in Populus tremula buds and adult leaves. In poplars, the counterparts of ABI1- and ABI2-like protein phosphatases are lacking, but poplar genomes encode three HAB-like proteins denoted in this work as HAB1, HAB3a and HAB3b, and the counterparts of the two latter ones are absent in Arabidopsis. Nonetheless, they may be present in other species...
March 7, 2018: Journal of Plant Physiology
Ting Zhang, Xuehong Wei, Zuo Ying, Likai Yan
Calculations based on density functional theory (DFT) have been performed to investigate the relationship between redox properties and second-order nonlinear optical (NLO) responses of Keggin-type anions [XNbW11 O40 ]n- (X = Al, Si, P, S, Ga, Ge, As, Se) and their corresponding heteropoly blues. The frontier molecular orbitals, NLO responses and electronic transition properties of fully oxidized anions and heteropoly blues were discussed. It is noticeable that the second-order NLO behaviors can be switched by reduced electrons for these Keggin-type anions...
March 2, 2018: Journal of Molecular Graphics & Modelling
Francesca Nicolì, Marzia Vergine, Carmine Negro, Andrea Luvisi, Eliana Nutricati, Alessio Aprile, Patrizia Rampino, Erika Sabella, Luigi De Bellis, Antonio Miceli
We report the characterisation of Salvia clandestina L. shoots and roots aqueous extract using HPLC-ESI/MS-TOF. Among the 29 compounds detected, we observed the presence of danshensu (3-(3,4-dihydroxy-phenyl) 2-hydroxy-propinic acid), a powerful antioxidant and a cardio-protective agent. The danshensu content found in the shoots of S. clandestina was considerable (4.96 mg g-1 DW) if compared with previous studies on S. miltiorrhiza Bunge, the main source of this compound. We also determined the total phenolic concentration and we evaluated their antioxidant activity by ABTS, FRAP and Superoxide anion scavenging methods...
March 19, 2018: Natural Product Research
Cameron L Bentley, Alan M Bond, Jie Zhang
Nonhaloaluminate ionic liquids (ILs) have received considerable attention as alternatives to molecular solvents in diverse applications spanning the fields of physical, chemical, and biological science. One important and often overlooked aspect of the implementation of these designer solvents is how the properties of the IL formulation affect (electro)chemical reactivity. This aspect is emphasized herein, where recent (voltammetric) studies on the energetics of proton (H+ ) transfer and electrode reaction mechanisms of the H+ H2 process in IL media are highlighted and discussed...
March 19, 2018: Annual Review of Analytical Chemistry
Quoc Tri Tran, Sheng-Jie Lu, Li-Juan Zhao, Xi-Ling Xu, Hong-Guang Xu, Van Tan Tran, Jun Li, Wei-Jun Zheng
We measured the photoelectron spectra of diatomic AuSi- and AuGe- and conducted calculations on the structures and electronic properties of AuSi-/0 and AuGe-/0. The calculations at the CASSCF/CASPT2 level confirmed that experimentally observed spectra features of AuSi- and AuGe- can be attributed to the transitions from the 3Σ- anionic ground state to the 2Π (2Π1/2 and 2Π3/2), 4Σ-, 32Σ+, and 42Σ+ electronic states of their neutral counterparts. The electron affinities (EAs) of AuSi and AuGe are determined by the experiments to be 1...
March 19, 2018: Journal of Physical Chemistry. A
Arup Kumar Pathak, Tusar Bandyopadhyay
A well-tempered metadynamics simulation is performed to study the unbinding process of a fluorinated oxime (FHI-6) drug from the active site gorge of acetylcholinesterase enzyme in a polarizable water medium. Cation-π interactions, water bridge, and hydrogen bridge formations between the protein and the drug molecule are found to strongly influence the unbinding process, forming basins and barriers along the gorge pathway. Distinct unbinding pathways are found when compared with its recently reported nonfluorinated analogue, HI-6...
March 19, 2018: Journal of Physical Chemistry. B
Hao Yu, Zhen Li, Carsten Bolm
A copper-catalyzed sulfoxidation of benzylic C-H bonds by nondirected oxidative C(sp3 )-H activation was developed. The process proceeds via sulfenate anions, which are generated by base-triggered elimination of β-sulfinyl esters and benzyl radicals. The functional group tolerance is high, and the product yields are good.
March 19, 2018: Organic Letters
Dorottya Hursán, Csaba Janáky
Isotopic labeling experiments were performed to better understand the electrochemical reduction of carbon dioxide on nitrogen-doped porous carbon electrodes. By using nonequilibrated solutions of selectively labeled initial carbon sources (i.e.,13 CO2 and H13 CO3 - ), bicarbonate anion was identified as the predominant source of the carbon monoxide reduction product.
March 9, 2018: ACS Energy Letters
Jun-Ichi Satoh, Yoshihiro Kino, Motoaki Yanaizu, Yuko Saito
Nasu-Hakola disease (NHD) is a rare autosomal recessive disorder, characterized by progressive presenile dementia and formation of multifocal bone cysts, caused by genetic mutations of either triggering receptor expressed on myeloid cells 2 ( TREM2 ) or TYRO protein tyrosine kinase binding protein ( TYROBP ), alternatively named DNAX-activation protein 12 ( DAP12 ), both of which are expressed on microglia in the brain and form the receptor-adaptor complex that chiefly recognizes anionic lipids. TREM2 transmits the signals involved in microglial survival, proliferation, chemotaxis, and phagocytosis...
February 2018: Intractable & Rare Diseases Research
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