A short synthesis of the common dihydropyran segment of the antifungal agents ambruticin and jerangolid A

The dihydropyranyl segment common to ambruticin and jerangolid A was prepared in six steps (31.7% yield) from (S)-2-benzyloxypropanal via silyloxydiene cyclocondensation, followed by C-glycosidation, and eventual epimerization at C18

Synthesis of cyclopropanes via organoiron methodology: preparation of the C9–C16 alkenylcyclopropane segment of ambruticin

A synthesis of the C9–C16 segment of ambruticin is described which relies on organoiron methodology to establish the 1,2,3-trisubstituted cyclopropane ring

Synthesis of Cyclopropanes via Organoiron Methodology: Preparation of \u3cem\u3erac\u3c/em\u3e-Dysibetaine Cpa

The cyclopropane containing betaine, rac-dysibetaine CPa, was prepared from (1-methoxycarbonylpentadienyl)-Fe(CO)2PPh3+ by nucleophilic addition of nitromethane anion followed by oxidatively induced reductive elimination

Synthesis of (+)-decarestrictine L

A synthesis of (+)-decarestrictine L 1, a cholesterol biosynthesis inhibitory metabolite isolated from Penicillium simplicissimum, is described. Beginning from tri-O-acetyl- -glucal, alkylation with trimethylaluminum introduced the axial methyl group at C-2 in a stereoselective fashion. Chain extension at the C-6 carbon was accomplished by generation of the primary tosylate, followed by displacement with cyanide anion. The synthesis of (+)-1 was completed in 13 steps and 6.3% overall yield

Analysis of steady state Cryogenic Air Separation unit of Rourkela Steel Plant and simulation of Fixed Bed Adsorption Separation of Air

Atmospheric dry air contains approximately 78% nitrogen, 21% oxygen, and 1% argon plus low concentrations of noble gases like carbon dioxide, hydrocarbons and other impurities. An air separation unit divides atmospheric air into the three pure gaseous components (nitrogen, oxygen and argon). Further separation may be performed on some plants to produce other gases such as krypton, neon and xenon. Other gas components of atmospheric air, such as carbon dioxide, water vapour and hydrocarbons must be removed to ensure safety, product quality and efficient plant operation. Nitrogen, oxygen and argon are used by industry in large quantities and hence termed industrial gases. The current work aim is to simulate the cryogenic air separation unit including adsorber and cryogenic distillation. Simulation of absorber is carried out using ADSIM of Aspen Tech to remove carbon dioxide (CO2) and water vapour (H2O). The breakthrough curves of carbon dioxide (CO2) and water vapour on 5A molecular sieve and activated alumina respectively are found at different Reynolds number. The study helps to find out schedule time adsorber/desorber unit. ASPEN Plus simulator is used to simulate cryogenic air separation into nitrogen, oxygen and argon. The steady-state simulation results (purity) are compared to Rourkela steel plant real data

Probing the Human Estrogen Receptor-α Binding Requirements for Phenolic Mono- and Di-Hydroxyl Compounds: A Combined Synthesis, Binding and Docking Study

Various estrogen analogs were synthesized and tested for binding to human ERα using a fluorescence polarization displacement assay. Binding affinity and orientation were also predicted using docking calculations. Docking was able to accurately predict relative binding affinity and orientation for estradiol, but only if a tightly bound water molecule bridging Arg394/Glu353 is present. Di-hydroxyl compounds sometimes bind in two orientations, which are flipped in terms of relative positioning of their hydroxyl groups. Di-hydroxyl compounds were predicted to bind with their aliphatic hydroxyl group interacting with His524 in ERα. One nonsteroid-based dihdroxyl compound was 1000-fold specific for ERβ over ERα, and was also 25-fold specific for agonist ERβ versus antagonist activity. Docking predictions suggest this specificity may be due to interaction of the aliphatic hydroxyl with His475 in the agonist form of ERβ, versus with Thr299 in the antagonist form. But, the presence of this aliphatic hydroxyl is not required in all compounds, since mono-hydroxyl (phenolic) compounds bind ERα with high affinity, via hydroxyl hydrogen bonding interactions with the ERα Arg394/Glu353/water triad, and van der Waals interactions with the rest of the molecule

Spectral Data for Synthesis of Cyclopropanes via Organoiron Methodology: Stereoselective Preparation of Bi(cyclopropyl)s

Spectral data created in the course of the research project. Supports specific findings in Synthesis of Cyclopropanes via Organoiron Methodology: Stereoselective Preparation of Bi(cyclopropyl)s . Cyclopropanation of [2-(alkenyl)pentenediyl]Fe(CO)3 complexes (4) proceeds in a diastereoselective fashion to afford [2-(cyclopropyl)pentenediyl]Fe(CO)3. The relative stereochemistry of the products was established by X-ray crystallography. The diastereoselectivity is rationalized on approach of the cyclopropanation reagent on the sterically more exposed face of 4. Oxidatively induced reductive elimination afforded stereodefined bi(cyclopropyl)s

Reactivity of (1-methoxycarbonylpentadienyl)iron(1+) cations with hydride, methyl, and nitrogen nucleophiles

The reaction of tricarbonyl and (dicarbonyl)triphenylphosphine (1-methoxycarbonyl-pentadientyl)iron(1+) cations 7 and 8 with methyl lithium, NaBH3CN, or potassium phthalimide affords (pentenediyl)iron complexes 9a-c and 11a-b, while reaction with dimethylcuprate, gave (E,Z-diene)iron complexes 10 and 12. Oxidatively induced-reductive elimination of 9a-c gave vinylcyclopropanecarboxylates 17a-c. The optically active vinylcyclopropane (+)-17a, prepared from (1S)-7, undergoes olefin cross-metathesis with excess (+)-18 to yield (+)-19, a C9C16 synthon for the antifungal agent ambruticin. Alternatively reaction of 7 with methanesulfonamide or trimethylsilylazide gave (E,E-diene)iron complexes 14d and e. Huisgen [3 + 2] cyclization of the (azidodienyl)iron complex 14e with alkynes afforded triazoles 25a-e

Spectral Data for Probing the human estrogen receptor-alpha binding requirements for phenolic mono- and do-hydroxyl compounds: A combined synthesis, binding and docking study

Spectral data used in the course of researching Probing the human estrogen receptor-alpha binding requirements for phenolic mono- and do-hydroxyl compounds: A combined synthesis, binding and docking study . Various estrogen analogs were synthesized and tested for binding to human ERα using a fluorescence polarization displacement assay. Binding affinity and orientation were also predicted using docking calculations. Docking was able to accurately predict relative binding affinity and orientation for estradiol, but only if a tightly bound water molecule bridging Arg394/Glu353 is present. Di-hydroxyl compounds sometimes bind in two orientations, which are flipped in terms of relative positioning of their hydroxyl groups. Di-hydroxyl compounds were predicted to bind with their aliphatic hydroxyl group interacting with His524 in ERα. One nonsteroid-based dihdroxyl compound was 1000-fold specific for ERβ over ERα, and was also 25-fold specific for agonist ERβ versus antagonist activity. Docking predictions suggest this specificity may be due to interaction of the aliphatic hydroxyl with His475 in the agonist form of ERβ, versus with Thr299 in the antagonist form. But, the presence of this aliphatic hydroxyl is not required in all compounds, since mono-hydroxyl (phenolic) compounds bind ERα with high affinity, via hydroxyl hydrogen bonding interactions with the ERα Arg394/Glu353/water triad, and van der Waals interactions with the rest of the molecule