نتایج جستجو برای: intramolecular mechanics

تعداد نتایج: 154261  

2015
Jordan T. Walk Zachary A. Buchan John Montgomery

A new method for the intramolecular glycosylation of alcohols is described. Utilizing carbohydrate-derived silanes, the catalytic dehydrogenative silylation of alcohols is followed by intramolecular glycosylation. Appropriate combinations of silane position and protecting groups allow highly selective access to bmanno, a-gluco, or b-gluco stereochemical relationships as well as 2-azido-2-deoxy-...

Journal: :The Journal of organic chemistry 2009
Laijun Zhang Wei Zhang Jun Liu Jinbo Hu

The nucleophilic substitution of alkyl fluorides was achieved in the intramolecular reactions with O- and N-nucleophiles. The intramolecular defluorinative cyclization reaction was influenced by the nature of nucleophiles, the size of the ring to be formed, and the comformational rigidity of the precursors. Intermolecular nucleophilic substitution reactions of alkyl fluorides under similar reac...

Journal: :Molecules 2014
Ronald K Castellano

Intramolecular hydrogen bonds play critical structure- and function-serving roles in biological and synthetic molecular systems. This special issue, through eight contributions, showcases the prominence of these non-covalent interactions within several scientific disciplines, and in various structural contexts and environments. Reported, for example, are the consequences of intramolecular hydro...

Journal: :physical chemistry research 0
azadeh khanmohammadi chemistry department, payame noor university, tehran 19395-4697, iran fatemeh ravari chemistry department, payame noor university, tehran 19395-4697, iran

the influence of cation-π interactions on the strength and nature of intramolecular o...h hydrogen bond has been investigated by quantum chemical calculations in orthohydroxy benzaldehyde (hba) compound. ab initio calculations have been performed at mp2/6-311++g** level of theory. vibrational frequencies and physical properties such as chemical potential and chemical hardness of these compounds...

Journal: :journal of physical & theoretical chemistry 2012
m. h. ghorbani r. fazaeli a. ghoorchian

using a time-dependent-density functional theory (td-dft), configuration interaction singles (cis) and zerner’s intermediate neglect of differential overlap (zindo) methods, we have investigated the uv-visible spectra of one new intramolecular cyclization at before and after intramolecular attack. all structures were optimized at the b3lyp/6-311++g** level while uv-visible parameters were calcul...

2013
Rudy Lhermet Muriel Durandetti Jacques Maddaluno

The efficiency of the intramolecular carbonickelation of substituted allylic ethers and amines has been studied to evaluate the influence of the groups borne by the double bond on this cyclization. The results show that when this reaction takes place, it affords only the 5-exo-trig cyclization products, viz. dihydrobenzofurans or indoles. Depending on the tethered heteroatom (O or N), the outco...

This study presents our view of unconventional and conventional intramolecular hydrogen bonds (HBs) for some beta-diketones theoretically and experimentally. According to our results, the groups such as Phenyl and t-But in beta positions increase and CF3 group decrease IHB strength, respectively. For better understanding of the substitution effects, the compounds with similar and different subs...

Journal: :international journal of transportation engineering 0
seyed mohammad farnam department of civil engineering, bu-ali sina university, hamedan, iran freydoon rezaie department of civil engineering, bu-ali sina university, hamedan, iran

this study investigates propagation of mode i crack in b70 pre-stressed concrete sleepers by fracture mechanics approach. a new experimental analysis is done for notched b70 pre-stressed concrete sleepers with replica test and image analysis. a scanning electron microscope test (sem) and an image analysis are applied for the replica test in order to determine crack length and crack mouth openin...

Journal: :journal of paramedical sciences 0
rasool hemmatjo occupational health faculty, bousher university of medical sciences, bushehr sajad zare department of occu¬pational health, school of public health, tehran university of medical sciences, tehran akbar babaei heydarabadi department of public health, student`s committee research, faculty of health, shahid beheshti university of medical sciences, tehran abdollah hajivandi occupational health faculty, bushehr university of medical sciences, bushehr

heat stress is a significant occupational health and safety for workers in petrochemical industries. heat stress is a combination of heat load individual and environmental factors impose on workers’ bodies, which in turn, have impacts on workers’ performance, safety, and health. the present paper is carried out to determine the heat stress levels in workplace and to compare it with allowed wet ...

Journal: :Journal of the American Chemical Society 2005
Ian K Mangion David W C MacMillan

The first total syntheses of littoralisone (1) and brasoside (2) have been achieved in 13 overall steps. Both natural products are forged from a common intermediate which is rapidly assembled using organocatalytic technology, including a proline-catalyzed alpha-aminoxylation and a contra-thermodynamic intramolecular Michael addition. Application of the two-step carbohydrate synthesis technology...

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