Au–Au chemical bonding induced by UV irradiation of dinuclear gold(i) complexes: a computational study with experimental evidence

2014 ◽  
Vol 16 (47) ◽  
pp. 25840-25845 ◽  
Author(s):  
Camille Latouche ◽  
Yan-Ru Lin ◽  
Yeny Tobon ◽  
Eric Furet ◽  
Jean-Yves Saillard ◽  
...  
Keyword(s):  
Experimental Evidence ◽  
Uv Irradiation ◽  
Chemical Bonding ◽  
Computational Study

Au–Au chemical bonding appears upon UV irradiation.

An experimental and computational study to understand the lithium storage mechanism in molybdenum disulfide

Nanoscale ◽  
2014 ◽  
Vol 6 (17) ◽  
pp. 10243-10254 ◽  
Author(s):  
Uttam Kumar Sen ◽  
Priya Johari ◽  
Sohini Basu ◽  
Chandrani Nayak ◽  
Sagar Mitra
Keyword(s):  
Experimental Evidence ◽  
Lithium Ion Battery ◽  
Computational Study ◽  
Lithium Ion ◽  
Elemental Sulphur ◽  
High Rate ◽  
Discharge Process ◽  
Lithium Storage ◽  
Storage Mechanism ◽  
Battery Anode

Experimental evidence and theoretical correlation of the formation of elemental sulphur during the discharge process of MoS2, a high rate lithium ion battery anode.

Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study

2018 ◽  
Vol 20 (41) ◽  
pp. 26506-26512 ◽  
Author(s):  
Deepak Kumar ◽  
Thillai Govindaraja ◽  
Sailaja Krishnamurty ◽  
Selvaraj Kaliaperumal ◽  
Sourav Pal
Keyword(s):  
Density Functional Theory ◽  
Chemical Bonding ◽  
Density Functional ◽  
Computational Study ◽  
Dissociative Chemisorption ◽  
Functional Theory ◽  
Hydrogen Molecules ◽  
Defective Graphene

Using periodic density functional theory-based calculations, in the present study, we address the chemical bonding between aluminium clusters (Aln, n = 4–8 and 13) and monovacant defective graphene.

The effect of the aliphatic carboxylate linkers on the electronic structures, chemical bonding and optical properties of the uranium-based metal–organic frameworks

RSC Advances ◽  
2015 ◽  
Vol 5 (34) ◽  
pp. 26735-26748 ◽  
Author(s):  
Saumitra Saha ◽  
Udo Becker
Keyword(s):  
Optical Properties ◽  
Detailed Analysis ◽  
Computational Methods ◽  
Chemical Bonding ◽  
Electronic Structures ◽  
Computational Study ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
First Time

A series of uranyl containing aliphatic dicarboxylate structures is studied using computational methods. Our computational study provides a detailed analysis of these MOFs and explores the effect of linkers on their properties for the first time.

scholarly journals Insights into the interactions between salt molecules: A combined experimental and computational study

2021 ◽  
Author(s):  
Suganya Suresh ◽  
Saravanan Kandasamy ◽  
Karthikeyan Ammasai ◽  
Kumaradhas - Poomani
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Proton Transfer ◽  
Density Distribution ◽  
Chemical Bonding ◽  
Electron Density Distribution ◽  
Computational Study ◽  
Hirshfeld Surface ◽  
Pt Complex ◽  
The Stability

Abstract The proton transfer (PT) complex of 2-amino 4-methoxy 6-methyl pyrimidinium (2A4M6MP) 4-aminosalicylate (4AMSA), C6H10ON3+ C7H6NO3−, (I), and 5-chlorosalicylate (5ClSA), C6H10ON3+ C7H4O3Cl− (II) were synthesized and crystallized. The crystal structures of both salt molecules were investigated by SC-XRD. Further, the calculated ∆pKa values clearly demonstrate that 2A4M6MP is a good salt former when combined with carboxylic acids. Hirshfeld surface analysis provides the quantifying interactions in the solid state and energy framework shows the stability of hydrogen bonding. QTAIM analysis reveals the nature of chemical bonding and electron density distribution of intermolecular interactions of pyrimidine based salt molecules.

scholarly journals Vitamin D binding protein is required to utilize skin-generated vitamin D

2019 ◽  
Vol 116 (49) ◽  
pp. 24527-24532 ◽  
Author(s):  
Elizabeth G. Duchow ◽  
Nancy E. Cooke ◽  
Jeremy Seeman ◽  
Lori A. Plum ◽  
Hector F. DeLuca
Keyword(s):  
Vitamin D ◽  
Experimental Evidence ◽  
Intravenous Injection ◽  
Uv Irradiation ◽  
Serum Calcium ◽  
Uv Light ◽  
Binding Protein ◽  
Vitamin D Binding Protein ◽  
Normal Vitamin

Vitamin D is produced in the skin following exposure to sunlight. Ultraviolet (UV) B (UVB, 280–310 nm) results in isomerization of 7-dehydrocholesterol to previtamin D that spontaneously isomerizes to vitamin D. This pool of skin-derived vitamin D is the major source of vitamin D for animals. However, the mechanisms by which it becomes available remain undefined. It has been assumed that cutaneous vitamin D is transported into the circulation by vitamin D binding protein (DBP), but experimental evidence is lacking. To determine whether cutaneous vitamin D is transported by DBP, we utilized DBP−/− mice that were made vitamin D-deficient. These animals lack measurable 25(OH)D in blood and are hypocalcemic. As controls, DBP+/+ animals were vitamin D depleted and made equally hypocalcemic. UV irradiation of DBP+/+ animals restored serum calcium and serum 25(OH)D while the same treatment of DBP−/− animals failed to show either a serum calcium or 25(OH)D response despite having normal vitamin D production in skin. Intravenous injection of small amounts of recombinant DBP to the vitamin D-deficient DBP−/− mice restored the response to UV light. These results demonstrate a requirement for DBP to utilize cutaneously produced vitamin D.

How do memory modules differentially contribute to familiarity and recollection?

2019 ◽  
Vol 42 ◽  
Author(s):  
Olya Hakobyan ◽  
Sen Cheng
Keyword(s):  
Recognition Memory ◽  
Experimental Evidence ◽  
Subjective Experience ◽  
Target Article ◽  
Memory Modules ◽  
Familiarity And Recollection ◽  
Memory Contents

Abstract We fully support dissociating the subjective experience from the memory contents in recognition memory, as Bastin et al. posit in the target article. However, having two generic memory modules with qualitatively different functions is not mandatory and is in fact inconsistent with experimental evidence. We propose that quantitative differences in the properties of the memory modules can account for the apparent dissociation of recollection and familiarity along anatomical lines.

Redox Reactions in Lipid Membranes as a Model for Primordial Energy-Conserving Systems

1997 ◽  
Vol 161 ◽  
pp. 437-442
Author(s):  
Salvatore Di Bernardo ◽  
Romana Fato ◽  
Giorgio Lenaz
Keyword(s):  
Experimental Evidence ◽  
Lipid Membranes ◽  
Energy Supply ◽  
Redox Reactions ◽  
Living Systems ◽  
Asymmetric Distribution ◽  
Conservation Of Energy ◽  
Asymmetrical Distribution ◽  
Energy Conserving ◽  
Living Organisms

AbstractOne of the peculiar aspects of living systems is the production and conservation of energy. This aspect is provided by specialized organelles, such as the mitochondria and chloroplasts, in developed living organisms. In primordial systems lacking specialized enzymatic complexes the energy supply was probably bound to the generation and maintenance of an asymmetric distribution of charged molecules in compartmentalized systems. On the basis of experimental evidence, we suggest that lipophilic quinones were involved in the generation of this asymmetrical distribution of charges through vectorial redox reactions across lipid membranes.

Radiation-induced surface decomposition

1983 ◽  
Vol 41 ◽  
pp. 368-369
Author(s):  
M. L. Knotek
Keyword(s):  
Ionizing Radiation ◽  
Atomic Structure ◽  
Chemical Bonding ◽  
Neutral Species ◽  
Radiation Induced ◽  
Physical And Chemical ◽  
Surface Decomposition ◽  
The Relationship ◽  
Electron And Photon ◽  
Surface Bond

Modern surface analysis is based largely upon the use of ionizing radiation to probe the electronic and atomic structure of the surfaces physical and chemical makeup. In many of these studies the ionizing radiation used as the primary probe is found to induce changes in the structure and makeup of the surface, especially when electrons are employed. A number of techniques employ the phenomenon of radiation induced desorption as a means of probing the nature of the surface bond. These include Electron- and Photon-Stimulated Desorption (ESD and PSD) which measure desorbed ionic and neutral species as they leave the surface after the surface has been excited by some incident ionizing particle. There has recently been a great deal of activity in determining the relationship between the nature of chemical bonding and its susceptibility to radiation damage.

A Method for Setting the Clearance Angle

1972 ◽  
Vol 30 ◽  
pp. 388-389
Author(s):  
Michael T. Bucek ◽  
Howard J. Arnott
Keyword(s):  
Experimental Evidence ◽  
Light Source ◽  
Black Spot ◽  
Critical Factor ◽  
Clearance Angle ◽  
Crude Approximation ◽  
Ultrathin Sections

It is believed by the authors, with supporting experimental evidence, that as little as 0.5°, or less, knife clearance angle may be a critical factor in obtaining optimum quality ultrathin sections. The degree increments located on the knife holder provides the investigator with only a crude approximation of the angle at which the holder is set. With the increments displayed on the holder one cannot set the clearance angle precisely and reproducibly. The ability to routinely set this angle precisely and without difficulty would obviously be of great assistance to the operator. A device has been contrived to aid the investigator in precisely setting the clearance angle. This device is relatively simple and is easily constructed. It consists of a light source and an optically flat, front surfaced mirror with a minute black spot in the center. The mirror is affixed to the knife by placing it permanently on top of the knife holder.

Sign in / Sign up

Export Citation Format

Share Document