scholarly journals On reversible bonding of hydrogen molecules on platinum clusters

2009 ◽  
Vol 130 (8) ◽  
pp. 084111 ◽  
Author(s):  
Paweł Szarek ◽  
Kousuke Urakami ◽  
Chenggang Zhou ◽  
Hansong Cheng ◽  
Akitomo Tachibana
Keyword(s):  
Hydrogen Molecules ◽  
Platinum Clusters ◽  
Reversible Bonding

Effects of Cooking Processes on Breath Hydrogen and Colonic Fermentation of Soybean

2020 ◽  
Vol 16 (4) ◽  
pp. 488-493
Author(s):  
Naoya Okumura ◽  
Naoya Jinno ◽  
Kentaro Taniguchi ◽  
Kenichi Tanabe ◽  
Sadako Nakamura ◽  
...  
Keyword(s):  
Healthy Adult ◽  
Area Under The Curve ◽  
Cooking Methods ◽  
Breath Hydrogen ◽  
Gas Chromatograph ◽  
Colonic Fermentation ◽  
Hydrogen Molecules ◽  
Nutritional Analysis ◽  
Hydrogen Level ◽  
Adult Volunteers

Background: Soybean is rich in dietary fibers; consequently, soybean ingestion considerably increases the breath level of hydrogen molecules via anaerobic colonic fermentation. However, the influence of cooking methods on this effect, which can affect the overall health benefits of soybean, remains unknown. Objectives: The aim is to examine whether different methods of cooking soybean affect the colonic fermentation process. Methods: Nine healthy adult volunteers participated in the study; they ingested either roasted soybean flour (kinako) or well-boiled soybean (BS). Differences in their breath components were compared. Both test meals were cooked using 80 g of soybeans per individual. After a 12 h fast, the participants ate the test meals, and their breath hydrogen level was analyzed every 1 h for 9 h by using a gas chromatograph with a semiconductor detector. In addition, particle size distribution and soluble/ insoluble fibers in the feces were examined. Results: The oro-cecal transit time did not significantly differ between individuals who ingested kinako and BS. However, the area under the curve between 7 and 9 h after the ingestion of BS was significantly increased compared with that after the ingestion of kinako. The nutritional analysis indicated that the content of both soluble and insoluble fibers in BS was higher than that in kinako. In addition, the levels of unfermented fragments and soluble/insoluble fibers in the feces were increased after the ingestion of kinako compared with those after the ingestion of kinako. Conclusion: Cooking methods alter the composition of non-digestible fibers in soybean, and this can result in the lack of fermentative particles in the feces, thereby causing alterations in the breath level of hydrogen via colonic fermentation.

Coupled-pair theories and Davidson-type corrections for quasidegenerate states: The H4 model revisited

1988 ◽  
Vol 53 (9) ◽  
pp. 1919-1942 ◽  
Author(s):  
Josef Paldus ◽  
Paul E. S. Wormer ◽  
Marc Benard
Keyword(s):  
Electron Correlation ◽  
Model System ◽  
Coupled Cluster ◽  
Electron Model ◽  
Hydrogen Molecules ◽  
Double Zeta ◽  
Correlation Problem ◽  
Variational Approaches ◽  
Cluster Type ◽  
The Many

The performance of various variational and non-variational approaches to the many-electron correlation problem is examined for a simple four-electron model system consisting of two stretched hydrogen molecules in trapezoidal, rectangular and linear configurations, in which the degree of quasi-degeneracy can be continuously varied from a non-degenerate to an almost degenerate situation. In contrast to an earlier work (K. Jankowski and J. Paldus, Int. J. Quantum Chem. 18, 1243 (1980)) we employ a double-zeta plus polarization basis and examine both single reference and multireference configuration interaction and coupled-cluster-type approaches. The performance of various Davidson-type corrections is also investigated.

scholarly journals Ab initio molecular dynamics of hydrogen on tungsten surfaces

2021 ◽  
Author(s):  
Alberto Rodríguez-Fernández ◽  
Laurent Bonnet ◽  
Pascal Larrégaray ◽  
Ricardo Díez Muiño
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Ab Initio ◽  
Density Functional ◽  
Ab Initio Molecular Dynamics ◽  
Dissociation Process ◽  
Functional Theory ◽  
Classical Molecular Dynamics ◽  
Hydrogen Molecules

The dissociation process of hydrogen molecules on W(110) was studied using density functional theory and classical molecular dynamics.

Hydrogen molecules can modulate enzymatic activity and structural properties of pepsin in vitro

2020 ◽  
Vol 189 ◽  
pp. 110856
Author(s):  
Jie Cheng ◽  
Chao Tang ◽  
Xueling Li ◽  
Jun Hu ◽  
Junhong Lü
Keyword(s):  
Enzymatic Activity ◽  
Structural Properties ◽  
Hydrogen Molecules

scholarly journals Crystallographic and structural characterization of heterometallic platinum compounds Part VII. Heterohepta- and heterooctanuclear clusters

2014 ◽  
Vol 13 (1) ◽  
Author(s):  
Milan Melnik ◽  
Peter Mikuš ◽  
Clive E. Holloway
Keyword(s):  
Structural Characterization ◽  
Structural Parameters ◽  
Bond Distance ◽  
Point Of View ◽  
Platinum Compounds ◽  
Metal Atoms ◽  
Platinum Clusters ◽  
Structural Point

AbstractThis review classifies and analyzes over fifty heterohepta- and heterooctanuclear platinum clusters. There are eight types of metal combinations in heteroheptanuclear: Pt6M, Pt5M2, Pt4M3, Pt3M4, Pt2M5, PtM6, Pt3Hg2Ru2 and Pt2Os3Fe2. The seven metal atoms are in a wide variety of arrangements, with the most common being one in which the central M atom (mostly M(I)) is sandwiched by two M3 triangles. Another arrangement often found is an octahedron of M6 atoms asymmetrically capped by an M atom. The shortest Pt-M bond distances (non-transition and transition) are 2.326(1) Å (M = Ga) and 2.537(6) Å (M = Fe). The shortest Pt-Pt bond distance is 2.576(2) Å.In heterooctanuclear platinum clusters there are eight types of metal combinations: Pt6M2, Pt4M4, Pt3Ru5, Pt2M6, PtM7, Pt2W4Ni2, PtAu6Hg and PtAu5Hg2. From a structural point of view, the clusters are complex with bicapped octahedrons of eight metal atoms prevailing. The shortest Pt-M bond distances (non-transition and transition) are 2.651(3) Å (M = Hg) and 2.624(1) Å (M = Os). The shortest Pt-Pt bond distance is 2.622(1) Å. These values are somewhat longer than those in the heteroheptanuclear clusters. Several relationships between the structural parameters were found, and are discussed and compared with the smaller heterometallic platinum clusters

Investigation of the Hydrogen Transport Processes in Crystalline Silicon of n-Type Conductivity

2007 ◽  
Vol 131-133 ◽  
pp. 425-430 ◽  
Author(s):  
Anis M. Saad ◽  
Oleg Velichko ◽  
Yu P. Shaman ◽  
Adam Barcz ◽  
Andrzej Misiuk ◽  
...  
Keyword(s):  
Hydrogen Concentration ◽  
Room Temperature ◽  
Crystalline Silicon ◽  
Transport Processes ◽  
Concentration Profiles ◽  
Hydrogen Transport ◽  
Hydrogen Atoms ◽  
Near Surface ◽  
Type Conductivity ◽  
Hydrogen Molecules

The silicon substrates were hydrogenated at approximately room temperature and hydrogen concentration profiles vs. depth have been measured by SIMS. Czochralski grown (CZ) wafers, both n- and p-type conductivity, were used in the experiments under consideration. For analysis of hydrogen transport processes and quasichemical reactions the model of hydrogen atoms diffusion and quasichemical reactions is proposed and the set of equations is obtained. The developed model takes into account the formation of bound hydrogen in the near surface region, hydrogen transport as a result of diffusion of hydrogen molecules 2 H , diffusion of metastable complexes * 2 H and diffusion of nonequilibrium hydrogen atoms. Interaction of 2 H with oxygen atoms and formation of immobile complexes “oxygen atom - hydrogen molecule” (O - H2 ) is also taken into account to explain the hydrogen concentration profiles in the substrates of n-type conductivity. The computer simulation based on the proposed equations has shown a good agreement of the calculated hydrogen profiles with the experimental data and has allowed receiving a value of the hydrogen molecules diffusivity at room temperature.

scholarly journals Hydrogen Conversion in Nanocages

Hydrogen ◽  
2021 ◽  
Vol 2 (2) ◽  
pp. 160-206
Author(s):  
Ernest Ilisca
Keyword(s):  
Ultra Violet ◽  
Dipolar Interactions ◽  
Nuclear Spins ◽  
Reaction Heat ◽  
Thermal Methods ◽  
The Past ◽  
Hydrogen Molecules ◽  
Conversion Rates ◽  
Catalytic Sites ◽  
Infra Red

Hydrogen molecules exist in the form of two distinct isomers that can be interconverted by physical catalysis. These ortho and para forms have different thermodynamical properties. Over the last century, the catalysts developed to convert hydrogen from one form to another, in laboratories and industries, were magnetic and the interpretations relied on magnetic dipolar interactions. The variety concentration of a sample and the conversion rates induced by a catalytic action were mostly measured by thermal methods related to the diffusion of the o-p reaction heat. At the turning of the new century, the nature of the studied catalysts and the type of measures and motivations completely changed. Catalysts investigated now are non-magnetic and new spectroscopic measurements have been developed. After a fast survey of the past studies, the review details the spectroscopic methods, emphasizing their originalities, performances and refinements: how Infra-Red measurements characterize the catalytic sites and follow the conversion in real-time, Ultra-Violet irradiations explore the electronic nature of the reaction and hyper-frequencies driving the nuclear spins. The new catalysts, metallic or insulating, are detailed to display the operating electronic structure. New electromagnetic mechanisms, involving energy and momenta transfers, are discovered providing a classification frame for the newly observed reactions.

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