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https://www.readbyqxmd.com/read/28340526/an-experimental-study-on-flow-and-heat-transfer-characteristics-of-ethanol-polyalphaolefin-nanoemulsion-flowing-through-circular-minichannels
#1
Vu Trinh, Jiajun Xu
This work experimentally studied the convective flow and heat transfer characteristics of a novel nanostructured heat transfer fluid: "ethanol/polyalphaolefin nanoemulsion" flowing through 12 circular minichannels of 1-mm diameter each. Ethanol/polyalphaolefin nanoemulsion is a thermodynamically stable system formed by dispersing ethanol into a mixture of "polyalphaolefin (PAO)" and surfactants. In this study, ethanol/PAO nanoemulsion is used as the working fluid to study the effect of ethanol nanodroplets on its convective flow and heat transfer characteristics...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28340507/understanding-the-contribution-of-disulphide-bridges-to-the-folding-and-misfolding-of-an-anti-a%C3%AE-scfv
#2
Laia Montoliu-Gaya, Jose C Martínez, Sandra Villegas
ScFv-h3D6 is a single chain variable fragment that precludes Aβ peptide-induced cytotoxicity by withdrawing Aβ oligomers from the amyloid pathway to the worm-like pathway. Production of scFv molecules is not a straightforward procedure because of the occurrence of disulphide scrambled conformations generated in the refolding process. Here, we separately removed the disulphide bond of each domain and solved the scrambling problem; and then, we intended to compensate the loss of thermodynamic stability by adding three C-terminal elongation mutations previously described to stabilize the native fold of scFv-h3D6...
March 24, 2017: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/28340294/a-well-defined-osmium-cupin-complex-hyperstable-artificial-osmium-peroxygenase
#3
Nobutaka Fujieda, Takumi Nakano, Yuki Taniguchi, Haruna Ichihashi, Hideki Sugimoto, Yuma Morimoto, Yosuke Nishikawa, Genji Kurisu, Shinobu Itoh
Thermally stable TM1459 cupin superfamily protein from Thermotoga maritima was repurposed as an osmium (Os) peroxygenase by metal-substitution strategy employing the metal-binding promiscuity. This novel artificial metalloenzyme bears a datively bound Os ion supported by the 4-histidine motif. The well-defined Os center is responsible for not only the catalytic activity but also the thermodynamic stability of the protein folding, leading to the robust biocatalyst (Tm ≈ 120 °C). The spectroscopic analysis and atomic resolution X-ray crystal structures of Os-bound TM1459 revealed two types of donor sets to Os center with octahedral coordination geometry...
March 24, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28339268/entropy-evolution-in-the-magnetic-phases-of-partially-frustrated-cepdal
#4
S Lucas, K Grube, C-L Huang, A Sakai, S Wunderlich, E L Green, J Wosnitza, V Fritsch, P Gegenwart, O Stockert, H V Löhneysen
In the heavy-fermion metal CePdAl, long-range antiferromagnetic order coexists with geometric frustration of one-third of the Ce moments. At low temperatures, the Kondo effect tends to screen the frustrated moments. We use magnetic fields B to suppress the Kondo screening and study the magnetic phase diagram and the evolution of the entropy with B employing thermodynamic probes. We estimate the frustration by introducing a definition of the frustration parameter based on the enhanced entropy, a fundamental feature of frustrated systems...
March 10, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28339247/thermodynamic-and-kinetic-fragility-of-freon-113-the-most-fragile-plastic-crystal
#5
A Vispa, M Romanini, M A Ramos, L C Pardo, F J Bermejo, M Hassaine, A I Krivchikov, J W Taylor, J Ll Tamarit
We present a dynamic and thermodynamic study of the orientational glass former Freon 113 (1,1,2-trichloro-1,2,2-trifluoroethane, CCl_{2}F-CClF_{2}) in order to analyze its kinetic and thermodynamic fragilities. Freon 113 displays internal molecular degrees of freedom that promote a complex energy landscape. Experimental specific heat and its microscopic origin, the vibrational density of states from inelastic neutron scattering, together with the orientational dynamics obtained by means of dielectric spectroscopy have revealed the highest fragility value, both thermodynamic and kinetic, found for this orientational glass former...
March 10, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28339228/universal-work-fluctuations-during-shortcuts-to-adiabaticity-by-counterdiabatic-driving
#6
Ken Funo, Jing-Ning Zhang, Cyril Chatou, Kihwan Kim, Masahito Ueda, Adolfo Del Campo
Counterdiabatic driving (CD) exploits auxiliary control fields to tailor the nonequilibrium dynamics of a quantum system, making possible the suppression of dissipated work in finite-time thermodynamics and the engineering of optimal thermal machines with no friction. We show that while the mean work done by the auxiliary controls vanishes, CD leads to a broadening of the work distribution. We derive a fundamental inequality that relates nonequilibrium work fluctuations to the operation time and quantifies the thermodynamic cost of CD in both critical and noncritical systems...
March 10, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28335257/characteristic-evaluation-of-graphene-oxide-for-bisphenol-a-adsorption-in-aqueous-solution
#7
Thatchaphong Phatthanakittiphong, Gyu Tae Seo
This paper investigates the characteristics of graphene oxide (GO) for Bisphenol A (BPA) adsorption in water. Batch experiments on the influence of significant parameters were performed. While an improvement of the adsorption capacity of BPA was obtained by the increment of contact time and the initial BPA concentration, the increment of pH above 8, GO dosage, and temperature showed the reverse results. The thermodynamic study suggested that BPA adsorption on GO was an exothermic and spontaneous process. The kinetics was explained by the pseudo-second-order model which covers all steps of adsorption...
July 2, 2016: Nanomaterials
https://www.readbyqxmd.com/read/28334819/comparative-analyses-of-the-thermodynamic-rna-binding-signatures-of-different-types-of-rna-recognition-motifs
#8
Brighton Samatanga, Antoine Cléry, Pierre Barraud, Frédéric H-T Allain, Ilian Jelesarov
RNA recognition motifs (RRMs) are structurally versatile domains important in regulation of alternative splicing. Structural mechanisms of sequence-specific recognition of single-stranded RNAs (ssRNAs) by RRMs are well understood. The thermodynamic strategies are however unclear. Therefore, we utilized microcalorimetry and semi-empirical analyses to comparatively analyze the cognate ssRNA binding thermodynamics of four different RRM domains, each with a different RNA binding mode. The different binding modes are: canonical binding to the β-sheet surface; canonical binding with involvement of N- and C-termini; binding to conserved loops; and binding to an α-helix...
February 23, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28334800/optimization-of-a-novel-biophysical-model-using-large-scale-in-vivo-antisense-hybridization-data-displays-improved-prediction-capabilities-of-structurally-accessible-rna-regions
#9
Jorge Vazquez-Anderson, Mia K Mihailovic, Kevin C Baldridge, Kristofer G Reyes, Katie Haning, Seung Hee Cho, Paul Amador, Warren B Powell, Lydia M Contreras
Current approaches to design efficient antisense RNAs (asRNAs) rely primarily on a thermodynamic understanding of RNA-RNA interactions. However, these approaches depend on structure predictions and have limited accuracy, arguably due to overlooking important cellular environment factors. In this work, we develop a biophysical model to describe asRNA-RNA hybridization that incorporates in vivo factors using large-scale experimental hybridization data for three model RNAs: a group I intron, CsrB and a tRNA. A unique element of our model is the estimation of the availability of the target region to interact with a given asRNA using a differential entropic consideration of suboptimal structures...
February 21, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28334762/missense-uros-mutations-causing-congenital-erythropoietic-porphyria-reduce-uros-homeostasis-that-can-be-rescued-by-proteasome-inhibition
#10
Jean-Marc Blouin, Ganeko Bernardo-Seisdedos, Emma Sasso, Julie Esteve, Cécile Ged, Magalie Lalanne, Arantza Sanz-Parra, Pedro Urquiza, Hubert de Verneuil, Oscar Millet, Emmanuel Richard
Congenital erythropoietic porphyria (CEP) is an inborn error of heme biosynthesis characterized by uroporphyrinogen III synthase (UROS) deficiency resulting in deleterious porphyrin accumulation in blood cells responsible for hemolytic anemia and cutaneous photosensitivity. We analyzed here the molecular basis of UROS impairment associated with twenty nine UROS missense mutations actually described in CEP patients. Using a computational and biophysical joint approach we predicted that most disease-causing mutations would affect UROS folding and stability...
February 21, 2017: Human Molecular Genetics
https://www.readbyqxmd.com/read/28334744/stabilization-of-rna-hairpins-using-non-nucleotide-linkers-and-circularization
#11
Agnieszka Kiliszek, Leszek Blaszczyk, Ryszard Kierzek, Wojciech Rypniewski
An RNA hairpin is an essential structural element of RNA. Hairpins play crucial roles in gene expression and intermolecular recognition but are also involved in the pathogenesis of some congenital diseases. Structural studies of the hairpin motifs are impeded by their thermodynamic instability, as they tend to unfold to form duplexes, especially at high concentrations required for crystallography or nuclear magnetic resonance spectroscopy. We have elaborated techniques to stabilize the RNA hairpins by linking the free ends of the RNA strand at the base of the hairpin stem...
February 21, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28334649/binding-of-tem-1-beta-lactamase-to-beta-lactam-antibiotics-by-frontal-affinity-chromatography
#12
Xiu Chen, Yuhua Li, Yan Zhang, Jianting Yang, Liujiao Bian
TEM-1 beta-lactamases can accurately catalyze the hydrolysis of the beta-lactam rings in beta-lactam antibiotics, which make beta-lactam antibiotics lose its activity, and the prerequisite for the hydrolysis procedure in the binding interaction of TEM-1 beta-lactamases with beta-lactam antibiotics is the beta-lactam rings in beta-lactam antibiotics. Therefore, the binding of TEM-1 beta-lactamase to three beta-lactam antibiotics including penicillin G, cefalexin as well as cefoxitin was explored here by frontal affinity chromatography in combination with fluorescence spectra, adsorption and thermodynamic data in the temperature range of 278-288K under simulated physiological conditions...
March 18, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://www.readbyqxmd.com/read/28334469/stereoisomerism-of-bis-sigma-zincane-complexes-evidence-for-an-intramolecular-pathway
#13
Mark Richard Crimmin, Olga Ekkert, Andrew White
The first bis(sigma-zincane) complexes, heterotrimetallic species [M(CO)4(2-HZnBDI)2], have been prepared (BDI = 2-{2,6-i-Pr2C6H3NCMe}2CH). For M = Cr a single stereoisomer is observed in solution and the solid-state. For M = Mo and W, cis and trans isomers where found to reversibly interconvert at 297 K. Despite the huge steric demands of the ligand on zinc, in all cases the cis isomer was found to be the most thermodynamically stable. The activation parameters for the isomerization when M = Mo are H‡ = 20...
March 23, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28333921/bioenergetics-based-modeling-of-plasmodium-falciparum-metabolism-reveals-its-essential-genes-nutritional-requirements-and-thermodynamic-bottlenecks
#14
Anush Chiappino-Pepe, Stepan Tymoshenko, Meriç Ataman, Dominique Soldati-Favre, Vassily Hatzimanikatis
Novel antimalarial therapies are urgently needed for the fight against drug-resistant parasites. The metabolism of malaria parasites in infected cells is an attractive source of drug targets but is rather complex. Computational methods can handle this complexity and allow integrative analyses of cell metabolism. In this study, we present a genome-scale metabolic model (iPfa) of the deadliest malaria parasite, Plasmodium falciparum, and its thermodynamics-based flux analysis (TFA). Using previous absolute concentration data of the intraerythrocytic parasite, we applied TFA to iPfa and predicted up to 63 essential genes and 26 essential pairs of genes...
March 2017: PLoS Computational Biology
https://www.readbyqxmd.com/read/28333684/entropy-production-in-photovoltaic-thermoelectric-nanodevices-from-the-non-equilibrium-green-s-function-formalism
#15
Fabienne Michelini, Adeline Crépieux, Katawoura Beltako
We discuss some thermodynamic aspects of energy conversion in electronic nanosystems able to convert light energy into electrical or/and thermal energy using the non-equilibrium Green's function formalism. In a first part, we derive the photon energy and particle currents inside a nanosystem interacting with light and in contact with two electron reservoirs at different temperatures. Energy conservation is verified, and radiation laws are discussed from electron non-equilibrium Green's functions. We further use the photon currents to formulate the rate of entropy production for steady-state nanosystems, and we recast this rate in terms of efficiency for specific photovoltaic-thermoelectric nanodevices...
March 23, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28333464/quantification-of-thermodynamic-hydridicity-of-hydride-complexes-of-mn-re-mo-and-w-using-molecular-electrostatic-potential
#16
Sandhya Karakkadparambil Sankaran, Cherumuttathu H Suresh
Molecular electrostatic potential (MESP) at the hydride nucleus, VH is proposed as a powerful measure of the hydride donor ability (hydridicity) of metal hydride complexes. The VH alues are determined for several group VI and group VII octahedral metal hydride complexes of Mo, W, Mn and Re at the B3LYP level of DFT. Further, the hydridicity, defined by the thermodynamic parameter ΔG(o)H- is determined for all these complexes using a thermodynamic cycle which describes the hydride abstraction reaction by H3O(+) ion...
March 23, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28333055/enhanced-adsorption-removal-of-anionic-dyes-via-a-facile-preparation-of-amino-functionalized-magnetic-silica
#17
Xiao-Shui Li, Yu-Han Fan, Shou-Wen Zhang, Shi-Hua Qi
A novel amino-functionalized magnetic silica (Fe3O4@SiO2-NH2) was easily prepared via a one-step method integrating the immobilization of 3-aminopropyltriethoxysilane with a sol-gel process of tetraethyl orthosilicate into a single process. This showed significant improvement in the adsorption capacity of anionic dyes. The product (Fe3O4@SiO2-NH2) was characterized with scanning electron microscopy, Fourier transform infrared spectroscopy, energy dispersive X-ray spectrometry, zeta potential and vibrating sample magnetometry...
March 2017: Water Science and Technology: a Journal of the International Association on Water Pollution Research
https://www.readbyqxmd.com/read/28333049/uranium-biosorption-from-aqueous-solution-by-the-submerged-aquatic-plant-hydrilla-verticillata
#18
Zheng-Ji Yi, Jun Yao, Mi-Jia Zhu, Hui-Lun Chen, Fei Wang, Xing Liu
The biosorption characteristics of U(VI) from aqueous solution onto a nonliving aquatic macrophyte, Hydrilla verticillata (dry powder), were investigated under various experimental conditions by using batch methods. Results showed that the adsorption reached equilibrium within 60 min and the experimental data were well fitted by the pseudo-first-order kinetic model. U(VI) adsorption was strongly pH dependent, and the optimum pH for U(VI) removal was 5.5. Isotherm adsorption data displayed good correlation with the Langmuir model, with a maximum monolayer adsorption capacity of 171...
March 2017: Water Science and Technology: a Journal of the International Association on Water Pollution Research
https://www.readbyqxmd.com/read/28332847/phase-behavior-and-physical-properties-of-new-biobased-ionic-liquid-crystals
#19
Ariel Antonio Campos Toledo Hijo, Guilherme José Maximo, Mariana Conceição Costa, Rosiane Lopes Cunha, Jorge Fernando Brandão Pereira, Kiki Adi Kurnia, Eduardo A Caldas Batista, Antonio J A Meirelles
Protic ionic liquids (PILs) have emerged as promising compounds and attracted the interest of the industry and the academy community, due to their easy preparation and unique properties. In the context of green chemistry, the use of biocompounds, such as fatty acids for their synthesis could disclose a possible alternative way to produce ILs with low or non-toxic effect and consequently, expanding their applicability in bio-based processes or in the development of bioproducts. This work addressed efforts to a better comprehension of the complex Solid-Liquid-Crystal-Liquid thermodynamic equilibrium of twenty new PILs synthesized by using fatty acids commonly found in vegetable oils, as well as their rheological profile and self-assembling ability...
March 23, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28332826/packaged-and-free-stmv-rna-genomes-adopt-distinct-conformational-states
#20
Bridget C Larman, Elizabeth A Dethoff, Kevin M Weeks
The RNA genomes of viruses likely undergo multiple functionally important conformational changes during their replication cycles, changes that are poorly understood at present. We used two complementary in-solution RNA structure probing strategies (SHAPE-MaP and RING-MaP) to examine the structure of the RNA genome of satellite tobacco mosaic virus inside authentic virions and in a capsid-free state. Both RNA states feature similar three-domain architectures in which each major replicative function - translation, capsid coding, and genome synthesis - fall into distinct domains...
March 23, 2017: Biochemistry
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