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Duangkamon Suttipat, Wannaruedee Wannapakdee, Thittaya Yutthalekha, Somlak Ittisanronnachai, Thasanaporn Ungpittagul, Khamphee Phomphrai, Sareeya Bureekaew, Chularat Wattanakit
The composite of hierarchical faujasite nanosheets and zeolitic imidazolate framework-8 (Hie-FAU/ZIF-8) has been successfully prepared via a stepwise deposition of ZIF-8 on modified zeolite surfaces. Compared to the direct deposition of MOF on zeolite surfaces, ZIF-8 nanospheres were selectively attached to external surfaces of the MOF ligand-grafted FAU crystals because of the enhancing interaction between zeolite and MOF in the composite. In addition, the degree of surface functionalization can be greatly enhanced due to the presence of hierarchical structures...
April 20, 2018: ACS Applied Materials & Interfaces
Seon Hwa Lee, Atsushi Matsunaga, Tomoyuki Oe
Pyridoxamine (PM) is a promising drug candidate for treating various chronic conditions/diseases in which oxidative stress and carbonyl compounds are important factors affecting pathogenicity. These abilities of PM are mainly attributed to its inhibition of advanced glycation and lipoxidation end product formation, by scavenging reactive carbonyl species. PM might therefore prevent protein damage from lipid hydroperoxide-derived aldehydes such as 4-oxo-2(E)-nonenal (ONE) and 4-hydroxy-2(E)-nonenal (HNE) by trapping them...
2018: PloS One
Sergey A Dobrynin, Yuri I Glazachev, Yuri V Gatilov, Elena Ilinichna Chernyak, George E Salnikov, Igor A Kirilyuk
A simple method of synthesis of sterically shielded pyrrolidine nitroxides, including title compound, have been suggested. The key procedure implies assembling of pyrrolidine ring from α-aminoacid, ketone and activated alkene in a three-component domino process with following oxidation to nitrone and Grignard reagent addition. The new nitroxides demonstrate very high stability to reduction with ascorbate.
April 18, 2018: Journal of Organic Chemistry
Ayaan Saleem, Paulina A Kobielska, Klaus Harms, Maria G Katsikogianni, Richard Telford, Ghenadie Novitchi, Sanjit Nayak
One-pot reaction between 8-hydroxyquinoline-2-carboxaldehyde (HQC) and tris(hydroxymethyl)aminomethane (TRIS) followed by in situ cyclization yielded an oxazolidine based ligand which produced four mononuclear complexes of MnII(1), CoII(2), NiII(3), ZnII(4), a tetranuclear iron (FeIII4) complex (5) and a trinuclear cobalt (CoIICoIII2) complex (6). Magnetic studies show dominant antiferromagnetic interaction in tetranuclear iron (FeIII4) complex 5 and presence of the slow relaxation of magnetisation in 6. The compounds were also studied for their antibacterial properties...
April 18, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
David Vrbata, Mariusz Uchman
The present study describes the synthesis, self-assembly and responsiveness to glucose and lactic acid of biocompatible and biodegradable block copolymer micelles using phenylboronic ester as the linkage between hydrophobic poly(ε-caprolactone) (PCL) and hydrophilic poly(ethylene oxide) (PEO). The PCL block with pendant phenylboronic acid (PCLBA) was synthesized by combining ε-caprolactone (ε-CL) ring-opening polymerisation (ROP), using 4-hydroxymethyl(phenylboronic) acid pinacolate as the initiator, and pinacol deprotection...
April 18, 2018: Nanoscale
Sheng-Nan Zhang, Jin Zeng, Ya-Nan Tan, Rui-Jing Ma, Gui-Jie Zhang, Heng-Shan Wang, Qin-Gang Tan
A new natural product, 3α,19-dihydroxyl-ent-pimara-8(14),15-diene (1), which possesses an α-orientation hydroxymethyl at C-4 and ∆8,14 groups, as well as eight known compounds, was isolated from the rhizomes of Ricinus communis. The structure of 1 was elucidated by extensive spectroscopic methods and its absolute configurations were confirmed by X-ray crystallographic analysis. The inhibitory rate of 1 against protein tyrosine phosphatase 1B (PTP1B) was 49.49% at the concentration of 6.58 × 10-5  mol/L...
April 18, 2018: Journal of Asian Natural Products Research
Z Lewis Liu, Xu Wang, Scott A Weber
Cell wall integrity signaling pathway in Saccharomyces cerevisiae is a conserved function for detecting and responding to cell stress conditions but less understood for industrial yeast. We examined gene expression dynamics for a tolerant industrial yeast strain NRRL Y-50049 in response to challenges of furfural and HMF through comparative quantitative gene expression analysis using pathway-based qRT-PCR array assays. All tested genes from Y-50049, except for MLP2, demonstrated more resistant and significantly increased gene expression than that from a laboratory strain BY4741...
April 14, 2018: Journal of Biotechnology
Sourabh Palrecha, Dushant Lakade, Abhijeet Kulkarni, Jayanta K Pal, Manali Joshi
The heme-regulated inhibitor (HRI) kinase regulates globin synthesis in a heme-dependent manner in reticulocytes and erythroid cells in bone marrow. Inhibitors of HRI have been proposed to lead to an increased amount of hemoglobin, benefitting anemia patients. A series of indeno[1,2-c]pyrazoles were discovered to be the first known in vitro inhibitors of HRI. However, the structural mechanism of inhibition is yet to be understood. The aim of this study was to unravel the binding mechanism of these inhibitors using molecular dynamic simulations and docking...
April 17, 2018: Journal of Biomolecular Structure & Dynamics
Feng Li, Hong Wu, Liang-Liang Sun, Huan Wu, Rong Wang, Shu-Ping Li, Wen-Yu Wang, Li Dai, Zheng-Rong Zhang, Jun Fu, Ran Deng
A simple and effective method of high performance liquid chromatography (HPLC) with diode array detection was established to identify the origin of Achyranthes bidentata Blume and evaluate its quality, based on chromatographic fingerprint combined with the similarity analysis, hierarchical cluster analysis and the quantitative analysis of multi-components by single marker (QAMS). In the chromatographic fingerprint, 16 peaks were selected as the common model to evaluate the similarities among 18 batches (S1-S18) of A...
April 11, 2018: Journal of Chromatographic Science
Takuya Uto, Yuta Kodama, Tatsuhiko Miyata, Toshifumi Yui
Nanotubes are remarkable nanoscale architectures for a wide range of potential applications. In the present paper, we report a molecular dynamics (MD) study of the theoretical cellulose nanotube (CelNT) models to evaluate their dynamic behavior in solution (either chloroform or benzene). Based on the one-quarter chain staggering relationship, we constructed six CelNT models by combining the two chain polarities (parallel (P) and antiparallel (AP)) and three symmetry operations (helical right (HR ), helical left (HL ), and rotation (R)) to generate a circular arrangement of molecular chains...
June 15, 2018: Carbohydrate Polymers
Dong-Xu Jia, Teng Wang, Zi-Jian Liu, Li-Qun Jin, Jia-Jia Li, Cheng-Jun Liao, De-Shui Chen, Yu-Guo Zheng
Glucose isomerase (GI) responsible for catalyzing the isomerization from d-glucose to d-fructose, was an important enzyme for producing high fructose corn syrup (HFCS). In a quest to prepare HFCS at elevated temperature and facilitate enzymatic recovery, an effective procedure for whole cell immobilization of refractory Thermus oshimai glucose isomerase (ToGI) onto Celite 545 using tris(hydroxymethyl)phosphine (THP) as crosslinker was established. The immobilized biocatalyst showed an activity of approximate 127...
April 4, 2018: Journal of Bioscience and Bioengineering
Chin-Fa Lee, Sidick Basha, Chia-Wei Chen, Mallikarjuna Reddy
Active ortho-quinone methides (o-QMs) were generated in-situ on reaction with 2-hydroxymethyl-substituted phenols via iodine assisted C-O bond scission strategy. The generated ortho-quinone methides underwent C-S bond formation via thio-michael addition reaction to access phenol thioethers. This method proceeds well with both aliphatic and aromatic thiols, and it affords moderate to excellent yields. The reactivity pattern and control experiment study is also inspected.
April 6, 2018: Chemistry, An Asian Journal
Ambikesh D Dwivedi, Vinod K Sahu, Shaikh M Mobin, Sanjay K Singh
A series of cationic half-sandwich cyclopentadienyl-ruthenium(II)-pyridylamine complexes, [(η5 -C5 H5 )Ru(κ2 -L)(PPh3 )]+ (L = Namine -substituted pyridylamine ligands) ([Ru]-1-[Ru]-6), along with the analogous cyclopentadienyl-ruthenium(II)- N-isopropylpyridylimine complex [(η5 -C5 H5 )Ru(κ2 -L)(PPh3 )]+ (L = N-isopropylpyridylimine) ([Ru]-7), have been synthesized in good yields. Structural identities of all the complexes have been authenticated by1 H,13 C, and31 P NMR, mass spectrometry, and X-ray crystallography...
April 5, 2018: Inorganic Chemistry
Theodore S Dibble
In two recent papers Bandyopadhyay and co-workers studied how atmospheric trace gases catalyze the isomerization of methoxy radical (CH3O˙) to hydroxymethyl radical (˙CH2OH). Their second paper extensively discussed the altitude dependence of this catalyzed isomerization. Unfortunately, they did not compare their computed isomerization rates with the abundant kinetic data on the long-established fate of CH3O˙: reaction with O2. This Comment shows that the fastest rate they compute for catalyzed isomerization is over one million times slower than the O2 reaction at all altitudes considered in those papers...
April 5, 2018: Physical Chemistry Chemical Physics: PCCP
Shailima Rampogu, Ayoung Baek, Rajesh Goud Gajula, Amir Zeb, Rohit S Bavi, Raj Kumar, Yongseong Kim, Yong Jung Kwon, Keun Woo Lee
BACKGROUND: Antibiotic resistance is a defense mechanism, harbored by pathogens to survive under unfavorable conditions. Among several antibiotic resistant microbial consortium, Staphylococcus aureus is one of the most havoc microorganisms. Staphylococcus aureus encodes a unique enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (SaHPPK), against which, none of existing antibiotics have been reported. METHODS: Computational approaches have been instrumental in designing and discovering new drugs for several diseases...
April 2, 2018: Annals of Clinical Microbiology and Antimicrobials
S M Müller, H Finke, F Ebert, J F Kopp, F Schumacher, B Kleuser, K A Francesconi, G Raber, T Schwerdtle
Arsenic-containing hydrocarbons (AsHCs), a subgroup of arsenolipids found in fish and algae, elicit substantial toxic effects in various human cell lines and have a considerable impact on cellular energy levels. The underlying mode of action, however, is still unknown. The present study analyzes the effects of two AsHCs (AsHC 332 and AsHC 360) on the expression of 44 genes covering DNA repair, stress response, cell death, autophagy, and epigenetics via RT-qPCR in human liver (HepG2) cells. Both AsHCs affected the gene expression, but to different extents...
March 30, 2018: Archives of Toxicology
Karina Bezerra Salomão, Gustavo Alencastro Veiga Cruzeiro, Ricardo Bonfim-Silva, Lenisa Geron, Fernando Ramalho, Fabiano Pinto Saggioro, Luciano Neder Serafini, Daniel Antunes Moreno, Rosane Gomes de Paula Queiroz, Simone Dos Santos Aguiar, Izilda Cardinalli, José Andres Yunes, Silvia Regina Brandalise, Maria Sol Brassesco, Carlos Alberto Scrideli, Luiz Gonzaga Tone
INTRODUCTION: Medulloblastoma (MB) is an embryonal tumour that originates from genetic deregulation of cerebellar developmental pathways and is classified into 4 molecular subgroups: SHH, WNT, group 3, and group 4. Hydroxymethylation levels progressively increases during cerebellum development suggesting a possibility of deregulation in MB pathogenesis. The aim of this study was to investigate global hydroxymethylation levels and changes in TET and IDH gene expression in MB samples compared to control cerebellum samples...
March 26, 2018: Journal of Neuro-oncology
Nayelli Villalón-López, José I Serrano-Contreras, Darío I Téllez-Medina, L Gerardo Zepeda
The present non-targeted1 H NMR-based fingerprinting approach along with multivariate analysis established differences between representative aqueous extracts of commercial ground roasted coffee (GRC) and instant (soluble) coffee (IC) samples. The latter were prepared either by spray drying or freeze drying. When comparing a total of 33 compounds between GRC and IC, the latter product contained a remarkable increase in 5-(hydroxymethyl)furfural and carbohydrates, as well as a clear decrease in trigonelline, N-methylpyridinium, caffeine, caffeoylquinic acids and 2-furylmethanol...
April 2018: Food Research International
Robert Czochara, Grzegorz Litwinienko, Hans-Gert Korth, Keith U Ingold
In 1923, Wieland and Wingler reported that in the molecular hydrogen producing reaction of hydrogen peroxide with formaldehyde in basic solution free hydrogen atoms (H") are not involved. They postulated that bis(hydroxymethyl)peroxide, HOCH2OOCH2OH, is the intermediate that decomposes to yield H2 and formate, proposing a mechanism which nowadays would be considered as a "concerted process". Since that time several other (conflicting) 'mechanisms' have been suggested. Our NMR and Raman spectroscopic and kinetic studies, particularly determination of the deuterium kinetic isotope effect (DKIE), now prove that in this base-dependent reaction both H atoms of H2 derive from the CH2 hydrogens of formaldehyde, not from the OH groups of HOCH2OOCH2OH or from water...
March 26, 2018: Angewandte Chemie
Gilles Ouvry, Franck Bihl, Claire Bouix-Peter, Olivier Christin, Claire Defoin-Platel, Sophie Deret, Christophe Feret, David Froude, Feriel Hacini-Rachinel, Craig S Harris, Catherine Hervouet, Guillaume Lafitte, Anne-Pascale Luzy, Branislav Musicki, Danielle Orfila, Veronique Parnet, Coralie Pascau, Jonathan Pascau, Romain Pierre, Catherine Raffin, Patricia Rossio, Delphine Spiesse, Nathalie Taquet, Etienne Thoreau, Rodolphe Vatinel, Emmanuel Vial, Laurent F Hennequin
Progress in the identification of suitable RORγ inverse agonists as clinical candidates has been hampered by the high lipophilicity that seems required for high potency on this nuclear receptor. In this context, we decided to focus on the replacement of the hydroxymethyl group found on known modulators to determine if more polarity could be tolerated in this position. SAR of the replacement of this moiety is presented in this article leading to the identification of sulfoximine derivatives as potent modulators with pharmacological activity in the in vivo mouse Imiquimod psoriasis model...
March 17, 2018: Bioorganic & Medicinal Chemistry Letters
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