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https://www.readbyqxmd.com/read/28330261/purification-and-characterization-of-laccase-from-marasmius-species-bbkav79-and-effective-decolorization-of-selected-textile-dyes
#1
A B Vantamuri, B B Kaliwal
A novel laccase-producing white-rot fungus, Marasmius sp. BBKAV79 (Genbank Accession Number-KP455496, KP455497), was isolated and subjected to purification, characterization and dye decolorization study. The purified enzyme was obtained with a specific activity of 0.226 U mg(-1) protein and a final yield of 13.5 %. The enzyme was found to be a monomeric protein with a molecular mass of ~75 kDa as estimated by non-denaturing polyacrylamide gel electrophoresis (PAGE) and further confirmed with zymogram analysis...
December 2016: 3 Biotech
https://www.readbyqxmd.com/read/28330258/optimization-of-d-lactic-acid-production-using-unutilized-biomass-as-substrates-by-multiple-parallel-fermentation
#2
Elya Mufidah, Mamoru Wakayama
This study investigated the optimization of D-lactic acid production from unutilized biomass, specifically banana peel and corncob by multiple parallel fermentation (MPF) with Leuconostoc mesenteroides and Aspergillus awamori. The factors involved in MPF that were assessed in this study comprised banana peel and corncob, KH2PO4, Tween 80, MgSO4·7H2O, NaCl, yeast extract, and diammonium hydrogen citrate to identify the optimal concentration for D-lactic acid production. Optimization of these component factors was performed using the Taguchi method with an L8 orthogonal array...
December 2016: 3 Biotech
https://www.readbyqxmd.com/read/28330114/evaluation-of-orange-peel-for-biosurfactant-production-by-bacillus-licheniformis-and-their-ability-to-degrade-naphthalene-and-crude-oil
#3
Arthala Praveen Kumar, Avilala Janardhan, Buddolla Viswanath, Kallubai Monika, Jin-Young Jung, Golla Narasimha
A Gram-positive bacterium was isolated from mangrove soil and was identified as Bacillus licheniformis (KC710973). The potential of a mangrove microorganism to utilize different natural waste carbon substrates for biosurfactant production and biodegradation of hydrocarbons was evaluated. Among several substrates used in the present study, orange peel was found to be best substrate of biosurfactant yield with 1.796 g/L and emulsification activity of 75.17 % against diesel. Fourier transform infrared spectroscopy analysis of biosurfactant compound revealed that the isolated biosurfactant is in lipopeptide nature...
June 2016: 3 Biotech
https://www.readbyqxmd.com/read/28329760/low-temperature-hydrogen-production-from-water-and-methanol-using-pt-%C3%AE-moc-catalysts
#4
Lili Lin, Wu Zhou, Rui Gao, Siyu Yao, Xiao Zhang, Wenqian Xu, Shijian Zheng, Zheng Jiang, Qiaolin Yu, Yong-Wang Li, Chuan Shi, Xiao-Dong Wen, Ding Ma
Polymer electrolyte membrane fuel cells (PEMFCs) running on hydrogen are attractive alternative power supplies for a range of applications, with in situ release of the required hydrogen from a stable liquid offering one way of ensuring its safe storage and transportation before use. The use of methanol is particularly interesting in this regard, because it is inexpensive and can reform itself with water to release hydrogen with a high gravimetric density of 18.8 per cent by weight. But traditional reforming of methanol steam operates at relatively high temperatures (200-350 degrees Celsius), so the focus for vehicle and portable PEMFC applications has been on aqueous-phase reforming of methanol (APRM)...
March 22, 2017: Nature
https://www.readbyqxmd.com/read/28329727/theoretical-study-on-the-alkylation-of-o-xylene-with-styrene-in-alcl3-ionic-liquid-catalytic-system
#5
Bobo Cao, Jiuyao Du, Ziping Cao, Haitao Sun, Xuejun Sun, Hui Fu
To explore sustainable catalysts with innovative mechanisms, the alkylation mechanism of o-xylene with styrene was studied using DFT method in AlCl3-ionic liquid catalytic system. The reaction pathway was consisted of CC coupling and a hydrogen shift, in which two transition states were found and further discussed. The reactive energy catalyzed by superelectrophilic AlCl2(+) (12.6kcal/mol) was distinctly lower than AlCl3 (43.0kcal/mol), which was determined as the rate-determining step. Mulliken charge along IRC gave a comprehensive understanding of charge distribution and electron transfer in dynamic progress...
March 6, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28329714/high-purity-silver-microcrystals-recovered-from-silver-wastes-by-eco-friendly-process-using-hydrogen-peroxide
#6
Harnchana Gatemala, Sanong Ekgasit, Kanet Wongravee
A simple, rapid, and environmentally friendly process using hydrogen peroxide, was developed for recovering high purity silver directly from industry and laboratory wastes. Silver ammine complex, [Ag(NH3)2](+)Cl(-), derived from AgCl were generated and then directly reduced using H2O2 to reliably turn into high purity microcrystalline silver (99.99%) examined by EDS and XRD. Morphology of the recovered silver microcrystals could be selectively tuned by an addition of poly(vinyl pyrrolidone). The main parameters in the recovering process including pH, concentration of Ag(+) and the mole ratio of H2O2:Ag(+) were carefully optimized though the central composite design (CCD)...
March 14, 2017: Chemosphere
https://www.readbyqxmd.com/read/28329017/navigating-in-foldonia-using-accelerated-molecular-dynamics-to-explore-stability-unfolding-and-self-healing-of-the-%C3%AE-solenoid-structure-formed-by-a-silk-like-polypeptide
#7
Binwu Zhao, Martien A Cohen Stuart, Carol K Hall
The β roll molecules with sequence (GAGAGAGQ)10 stack via hydrogen bonding to form fibrils which have been themselves been used to make viral capsids of DNA strands, supramolecular nanotapes and pH-responsive gels. Accelerated molecular dynamics (aMD) simulations are used to investigate the unfolding of a stack of two β roll molecules, (GAGAGAGQ)10, to shed light on the folding mechanism by which silk-inspired polypeptides form fibrils and to identify the dominant forces that keep the silk-inspired polypeptide in a β roll configuration...
March 22, 2017: PLoS Computational Biology
https://www.readbyqxmd.com/read/28328682/early-tranexamic-acid-administration-ameliorates-the-endotheliopathy-of-trauma-and-shock-in-an-in-vitro-model
#8
Lawrence N Diebel, Jonathan V Martin, David M Liberati
BACKGROUND: Systemic vascular endothelial injury is a consequence of trauma-hemorrhagic shock (T/HS) which results in disturbances of coagulation, inflammation and endothelial barrier integrity. The effect of T/HS on the endothelium (Endotheliopathy of Trauma)[EoT] is of intense research interest and may lead to EoT directed therapies. Administration of tranexamic acid (TXA) in trauma patients is associated with a survival benefit and fewer complications if given early after injury. Mechanisms for this protective effect include the anti-fibrinolytic and anti-inflammatory effects of TXA...
March 21, 2017: Journal of Trauma and Acute Care Surgery
https://www.readbyqxmd.com/read/28328213/reversible-coordination-of-boron-aluminum-zinc-magnesium-and-calcium-hydrogen-bonds-to-bent-cul2-fragments-heavy-%C3%AF-complexes-of-the-lightest-coinage-metal
#9
Alexandra Hicken, Andrew J P White, Mark R Crimmin
A series of copper(I) complexes bearing electron-deficient β-diketiminate ligands have been prepared. The study includes [{{ArNC(CR3)}2CH}Cu(η(2)-toluene)n] (Ar = Mes, R = F, n = 0.5, [12·tol]; Ar = C6F5, R = Me, n = 1, [2·tol]; Ar = 2,6-Cl2C6H3, R = H, n = 0.5, [32·tol]). Reactions of [1-3n·tol] with boranes, alanes, a zinc hydride, a magnesium hydride, and a calcium hydride generate the corresponding σ complexes ([1-3·B], [3·B'], [3·Al], [3·Al'], [1-3·Zn], [1·Mg], and [1·Ca]). These species all form reversibly, being in equilibrium with the arene solvates in solution...
March 22, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28328203/a-physical-molecular-mechanics-method-for-damped-dispersion
#10
Pragya Verma, Bo Wang, Laura E Fernandez, Donald G Truhlar
Damped dispersion can be a significant component of the interaction energy in many physical and chemical processes, for example, physisorption and noncovalent complexation. For physically interpreting and modeling such processes, it is convenient to have an analytic method to calculate damped dispersion that is readily applicable across the entire periodic table. Of the available methods to calculate damped dispersion energy for interacting systems with overlapping charge distributions, we select symmetry-adapted perturbation theory (SAPT) as providing a reasonable definition, and of the possible analytic forms, we choose the D3(BJ) method...
March 22, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28328173/design-synthesis-biological-evaluation-and-molecular-docking-of-novel-flavones-as-h3-r-inhibitors
#11
Gang Wen, Qian Liu, Huabin Hu, Dongmei Wang, Song Wu
A series of novel flavone derivatives were designed, synthesized, and evaluated for their H3 R inhibitory activity. The results showed that four compounds exhibited significant anti-H3 R activity. Molecular docking experiments indicated that a salt bridge, hydrogen-bonding, and hydrophobic interactions all contributed to interactions between inhibitors and H3 R. This article is protected by copyright. All rights reserved.
March 22, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28328163/chemoselective-hydrazine-mediated-transfer-hydrogenation-of-nitroarenes-by-co3-o4-nanoparticles-immobilized-on-an-al-si-mixed-oxide-support
#12
P Linga Reddy, Mohit Tripathi, R Arundhathi, Diwan S Rawat
Cobalt oxide nanoparticles (size 2 to 3.5 nm) were successfully impregnated on an alumina-silica (mixed oxide) support through an experimentally viable and easily reproducible protocol. The prepared material was well characterized by XRD, HR-TEM, BET surface area, EDX and XPS analyses. Porous alumina-silica having a high surface area served as a protective heterogeneous support on which the well-dispersed Co3 O4 nanoparticles served as an active catalytic species for the hydrazine-mediated transfer hydrogenation of nitroarenes...
March 22, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28328095/haca-s-heritage-a-free-radical-pathway-to-phenanthrene-in-circumstellar-envelopes-of-asymptotic-giant-branch-stars
#13
Tao Yang, Ralf I Kaiser, Tyler P Troy, Bo Xu, Oleg Kostko, Musahid Ahmed, Alexander M Mebel, Marsel V Zagidullin, Valeriy N Azyazov
The hydrogen-abstraction/acetylene-addition (HACA) mechanism has been central for the last decades in attempting to rationalize the formation of polycyclic aromatic hydrocarbons (PAHs) as detected in carbonaceous meteorites such as in Murchison. Nevertheless, the basic reaction mechanisms leading to the formation of even the simplest tricyclic PAHs like anthracene and phenanthrene are still elusive. Here, by exploring the previously unknown chemistry of the ortho-biphenylyl radical with acetylene, we deliver compelling evidence on the efficient synthesis of phenanthrene in carbon-rich circumstellar environments...
March 22, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28328027/dehydrogenation-of-icosahedral-carborane-anions-via-gas-phase-collisional-activation
#14
Omar M Hamdy, Huong T Pham, Scott G McArthur, Vincent Lavallo, Ryan R Julian
RATIONALE: The icosahedral carborane anion HCB11 H11(-1) is well known for its exceptional stability in solution and the solid state, but the gas-phase properties of this molecule have not previously been explored. METHODS: Electrospray ionization ion trap mass spectrometry, collisional activation, and isotopic labelling were used to examine the formation and reaction pathways of covalent and noncovalent carborane clusters. RESULTS: Covalent attachment of an amino group to the C-vertex of HCB11 H11(-1) dramatically alters its stability in the gas phase...
May 30, 2016: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28327793/insights-into-cytochrome-bc1-complex-binding-mode-of-antimalarial-2-hydroxy-1-4-naphthoquinones-through-molecular-modelling
#15
Ana Carolina Rennó Sodero, Bárbara Abrahim-Vieira, Pedro Henrique Monteiro Torres, Pedro Geraldo Pascutti, Célia Rs Garcia, Vitor Francisco Ferreira, David Rodrigues da Rocha, Sabrina Baptista Ferreira, Floriano Paes Silva
BACKGROUND: Malaria persists as a major public health problem. Atovaquone is a drug that inhibits the respiratory chain of Plasmodium falciparum, but with serious limitations like known resistance, low bioavailability and high plasma protein binding. OBJECTIVES: The aim of this work was to perform molecular modelling studies of 2-hydroxy-1,4-naphthoquinones analogues of atovaquone on the Qo site of P. falciparum cytochrome bc1 complex (Pfbc1) to suggest structural modifications that could improve their antimalarial activity...
April 2017: Memórias do Instituto Oswaldo Cruz
https://www.readbyqxmd.com/read/28327766/phosphorescent-platinum-ii-alkynyls-end-capped-with-benzothiazole-units
#16
Rebeca Lara, Elena Lalinde, M Teresa Moreno
Symmetric trans-bis(alkynyl)bis(phosphine) Pt(II) complexes based on the 2-phenylbenzothiazole (pbt) unit [trans-Pt(C[triple bond, length as m-dash]C-pbt)2L2] [L = PPh31, PEt32, 1,3,5-triaza-7-phosphaadamantane (PTA) 3] and the mixed alkynyl-cyanide anionic complex (NBu4)2[trans-Pt(C[triple bond, length as m-dash]C-pbt)2(CN)2] (4) were synthesized. The complexes have been fully characterized including X-ray crystallography for 2 and 4. All complexes display long-lived emission with moderate quantum yields (ϕ 6...
March 22, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28327740/molecular-dynamics-simulations-elucidate-conformational-selection-and-induced-fit-mechanisms-in-the-binding-of-pd-1-and-pd-l1
#17
Wenping Liu, Bing Huang, Yashu Kuang, Guangjian Liu
Blockage of the interactions between immunologic checkpoint protein PD-1 and its ligand PD-L1 showed efficacy for cancer treatment. X-ray structures have captured static conformational snapshots of PD-1 and revealed that the CC' loop adopts an open conformation in the apo-protein but turns into a closed form and interacts with PD-L1 in the complex. This structural heterogeneity brings difficulties for structure-based drug discovery targeting PD-1. To gain insights into the role of the CC' loop in molecular recognition, we have undertaken a comparative study between the open and closed conformations in apo-PD-1 and the PD-1/PD-L1 complex using molecular dynamics simulations...
March 22, 2017: Molecular BioSystems
https://www.readbyqxmd.com/read/28327733/surface-chemistry-of-propanal-2-propenol-and-1-propanol-on-ru-001
#18
Dominic A Esan, Michael Trenary
Adsorption and thermal chemistry of propanal, 2-propenol, and 1-propanol on Ru(001) were studied using temperature programmed reaction spectroscopy (TPRS) and reflection absorption infrared spectroscopy (RAIRS). The results show that each molecule adsorbs molecularly at 90 K and displays the same spectral features as observed for the corresponding liquids after 1.0 L exposures. 2-Propenol was found to molecularly desorb at 200 K, dehydrate to yield propene around 130 K, isomerize to propanal at 180 K, and hydrogenate to 1-propanol at 220 K...
March 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28327656/synthesis-of-norbornene-derived-helical-copolymer-by-simple-molecular-marriage-approach-to-produce-smart-nanocarrier
#19
Shivshankar R Mane, Ashlin Sathyan, Raja Shunmugam
A novel library of norbornene derived helical copolymer has been synthesized through the coupling of two homopolymers via Molecular Marriage Approach. The helicity is governed by the non-covalent interactions like hydrogen bonding, π-π stacking and the influence of hydrophobic and hydrophilic motifs. The detailed characterization of the copolymer (Copoly 1) has been provided and the super structures are confirmed through dynamic light scattering (DLS), scanning electron microscopy (SEM) and transmission electron microscopy (TEM)...
March 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28327592/anisotropy-of-hydrogen-diffusion-in-nickel-single-crystals-the-effects-of-self-stress-and-hydrogen-concentration-on-diffusion
#20
J Li, A Oudriss, A Metsue, J Bouhattate, X Feaugas
Hydrogen diffusion has an important role in solute-dependent hydrogen embrittlement in metals and metallic alloys. In spite of extensive studies, the complexity of hydrogen diffusion in solids remains a phenomenon that needs to be clarified. In this paper, we investigate the anisotropy of hydrogen diffusion in pure nickel single crystals using both an experimental approach and a thermodynamic development. As a first approximation, experimental data from electrochemical permeation and thermal desorption spectroscopy are described using the classical Fick's laws and an apparent diffusion tensor...
March 22, 2017: Scientific Reports
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