Relevance of Weak Hydrogen Bonds in the Conformation of Organic Compounds and Bioconjugates: Evidence from Recent Experimental Data and High-Levelab InitioMO Calculations

Abstract The scattering of X-rays from a concentrated Al (NO3)3 aqueous solution has been measured and analyzed at 25 °C. Good agreement with experimental data is achieved through a model in which Al3+(H2O)6 interacts with twelve water molecules through short and linear H-bonds. The water molecules which are the nearest neighbors to the Al3+ ions have trigonal orientation and each 0 atom in the nitrate ion gives rise to about 2 weak hydrogen bonds with water molecules.

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Fusion and Breakup Reactions of 17S + 208Pb and 15C + 232ThHalo Nuclei Systems

JOURNAL OF ADVANCES IN PHYSICS ◽

10.24297/jap.v11i2.495 ◽

2015 ◽

Vol 11 (2) ◽

pp. 2972-2978

Author(s):

Fouad A. Majeed ◽

Yousif A. Abdul-Hussien

Keyword(s):

Experimental Data ◽

Cross Section ◽

Fusion Reaction ◽

Fusion Cross Section ◽

Reaction Cross ◽

Recent Experimental Data ◽

Barrier Distribution ◽

Coupled Channel ◽

Total Fusion ◽

Full Quantum

In this study the calculations of the total fusion reaction cross section have been performed for fusion reaction systems 17F + 208Pb and 15C + 232Th which involving halo nuclei by using a semiclassical approach.The semiclassical treatment is comprising the WKB approximation to describe the relative motion between target and projectile nuclei, and Continuum Discretized Coupled Channel (CDCC) method to describe the intrinsic motion for both target and projectile nuclei. For the same of comparsion a full quantum mechanical clacualtions have been preforemd using the (CCFULL) code. Our theorticalrestuls are compared with the full quantum mechaincialcalcuations and with the recent experimental data for the total fusion reaction Â checking the stability of the distancesThe coupled channel calculations of the total fusion cross section Ïƒfus, and the fusion barrier distribution Dfus. The comparsion with experiment proves that the semiclassiacl approach adopted in the present work reproduce the experimental data better that the full quantal mechanical calcautions.Â

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Modeling of experimental data on trace elements and organic compounds content in industrial waste dumps

Chemosphere ◽

10.1016/j.chemosphere.2016.07.086 ◽

2016 ◽

Vol 162 ◽

pp. 189-198 ◽

Cited By ~ 11

Author(s):

Adam Smoliński ◽

Leszek Drobek ◽

Václav Dombek ◽

Andrzej Bąk

Keyword(s):

Experimental Data ◽

Trace Elements ◽

Organic Compounds ◽

Industrial Waste ◽

Waste Dumps

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Direct Observation of Weak Hydrogen Bonds in Microsolvated Phenol: Infrared Spectroscopy of OH Stretching Vibrations of Phenol−CO and −CO2in S0and D0

The Journal of Physical Chemistry A ◽

10.1021/jp0212601 ◽

2002 ◽

Vol 106 (43) ◽

pp. 10124-10129 ◽

Cited By ~ 31

Author(s):

Asuka Fujii ◽

Takayuki Ebata ◽

Naohiko Mikami

Keyword(s):

Infrared Spectroscopy ◽

Hydrogen Bonds ◽

Direct Observation ◽

Weak Hydrogen Bonds ◽

Stretching Vibrations

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Application of biological activated carbon anaerobic reactor for treatment of hazardous chemicals

Water Science & Technology ◽

10.2166/wst.2006.360 ◽

2006 ◽

Vol 53 (11) ◽

pp. 251-260 ◽

Cited By ~ 13

Author(s):

H. Tsuno ◽

M. Kawamura ◽

T. Oya

Keyword(s):

Experimental Data ◽

Activated Carbon ◽

Organic Compounds ◽

Adsorptive Capacity ◽

Biological Degradation ◽

Hazardous Chemicals ◽

High Concentration ◽

Expanded Bed ◽

Biological Activated Carbon ◽

Anaerobic Reactor

An expanded-bed anaerobic reactor with granular activated carbon (GAC) medium has been developed to treat wastewaters that contain a high concentration of inhibitory and/or refractory organic compounds as well as readily degradable organic compounds. The process is characterised by a combination of two removal mechanisms; adsorption on GAC and biological degradation by microorganisms grown on GAC. Applicability of the reactor to treatment of phenol, chloroacetaldehyde (CAA), pentachlorophenol (PCP) and tetrachloroethylene (PCE) was discussed based on experimental data. All chemicals focused on here were removed well and stably at a removal efficiency of more than 98% even during starting operation and shock load operation. Chemicals in influent that exceeded biological degradation capacity was initially adsorbed on GAC and then gradually degraded, and hence the adsorptive capacity of GAC was regenerated biologically. These results proved that a biological activated carbon anaerobic reactor was effective for treatment of wastewater containing hazardous chemicals, especially for strongly absorbable chemicals, as well as readily degradable organic compounds at high concentration.

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