Piperazine sulfonamide BACE1 inhibitors: Design, synthesis, and in vivo characterization
British Library Electronic Table of Contents (United Kingdom)
With collaboration between chemistry, X-ray crystallography, and molecular modeling, we designed and synthesized a series of novel piperazine sulfonamide BACE1 inhibitors. Iterative exploration of the non-prime side and S2prime sub-pocket of the enzyme culminated in identification of an analog that potently lowers peripheral Ab40 in transgenic mice with a single subcutaneous dose.
2010-01-01
Carbon dioxide absorption with aqueous potassium carbonate promoted by piperazine
Energy Technology Data Exchange (ETDEWEB)
Many commercial processes for the removal of carbon dioxide from high-pressure gases use aqueous potassium carbonate systems promoted by secondary amines. This paper presents thermodynamic and kinetic data for aqueous potassium carbonate promoted by piperazine. Research has been performed at typical absorber conditions for the removal of CO{sub 2} from flue gas. Piperazine, used as an additive in 20-30 wt% potassium carbonate, was investigated in a wetted-wall column using a concentration of 0.6 m at 40-80{sup o}C. The addition of 0.6 m piperazine to a 20 wt% potassium carbonate system decreases the CO{sub 2} equilibrium partial pressure by approximately 85% at intermediate CO{sub 2} loading. The distribution of piperazine species in the solution was determined by proton NMR. Using the speciation data and relevant equilibrium constants, a model was developed to predict system speciation and equilibrium. ...
2004-09-01
Enantioselective organocatalytic ?-sulfenylation of substituted diketopiperazines
UK PubMed Central (United Kingdom)
The asymmetric organocatalytic α-sulfenylation of substituted piperazine-2,5-diones is reported, with cinchona alkaloids as chiral Lewis bases and electrophilic sulfur transfer reagents....Full Text Available
2009-12-11
CO{sub 2} CAPTURE BY ABSORPTION WITH POTASSIUM CARBONATE
Energy Technology Data Exchange (ETDEWEB)
The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO{sub 3} promoted by piperazine. Thermodynamic modeling predicts that the heat of desorption of CO{sub 2} from 5m K+/2.5 PZ from 85 kJ/mole at 40 C to 30 kJ/mole at 120 C. Mass transfer modeling of this solvent suggests that carbonate and general salt concentration play a major role in catalyzing the rate of reaction of CO{sub 2} with piperazine. Stripper modeling suggests that with the multipressure stripper, the energy consumption with a generic solvent decreases by 15% as the heat of desorption is decreased from 23.8 to 18.5 kcal/gmol. A second pilot plant campaign with 5m K+/2.5 PZ was successfully completed.
2005-01-31
CO2 CAPTURE BY ABSORPTION WITH POTASSIUM CARBONATE
Energy Technology Data Exchange (ETDEWEB)
The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO{sub 3} promoted by piperazine. CO{sub 2} mass transfer rates are second order in piperazine concentration and increase with ionic strength. Modeling of stripper performance suggests that 5 m K{sup +}/2.5 m PZ will require 25 to 46% less heat than 7 m MEA. The first pilot plant campaign was completed on June 24. The CO{sub 2} penetration through the absorber with 20 feet of Flexipac{trademark} 1Y varied from 0.6 to 16% as the inlet CO{sub 2} varied from 3 to 12% CO{sub 2} and the gas rate varied from 0.5 to 3 kg/m{sup 2}-s.
2004-07-29
Synthesis and investigation of tungsten-phosphorus catalysts
Energy Technology Data Exchange (ETDEWEB)
The authors present the results of their investigation of the effect of phosphorus compounds on the activity of tungsten-containing catalysts in the oxidation of ethane. They investigated tungsten-phosphorus catalysts with different phosphorus concentrations (calculated on the basis of P/sub 2/O/sub 5/). The catalysts were prepared by heat decomposition of the starting compounds at 750/sup 0/C for 4 h. As their starting compounds, they used two types of materials: heteropoly acids mixtures of monosubstituted ammonium phosphoric and tungstic acids. The specific surface area of the catalysts was determined using the nitrogen desorption method. The x-ray phase analysis was carried out using a DRON-1.5 diffractometer. The catalytic activity was determined using the impulse method in a reactor with a vibrofluidized catalyst layer.
1988-11-10
Spectral investigation of primary uranyl orthophosphate
International Nuclear Information System (INIS)
By methods of vibrational (infrared, Raman) and PMR spectroscopy, crystallohydrate forms of monosubstituted uranyl orthophosphate have been examined. The vibrational frequencies of the groupings from the compounds were identified. The existence of non-equivalent H_2PO_4"--groups in the substances under investigation was ascertained. It has been suggested that one of them is a bridged group, and the other is the end group. A fragment of the VO_2(H_2PO_4)_2 hydrate structure is given, its main constituents being uranylphosphate chains. The analysis of water vibrations assumes coordination of one mole of H_2O in VO_2(H_2PO_4)_2:3H_2O to uranium, while two other molecules are only hydrogen-bonded with phosphate anions. Absorption within the region of 2100-2550 cm"-"1 is assigned to vibrations of O...H...O groupings.
Complexing of vanadium(3) with chromotropic acid derivatives
International Nuclear Information System (INIS)
A spectrophotometric study has been made of the complex formation of vanadium (3) with arsenazo(1), arsenazo(3) and some monosubstituted derivatives of chromotropic acid and sulphanylamides. In acid medium vanadium (3) reacts with each of these reagents to produce a 1:1 complex. Optimum conditions of the complex formation was found. The effect of H"+ on the complex formation of vanadium (3) with chromotropic acid derivatives was established. It was found by the graphical method that the formation of the complex is accompanied by the elimination of one proton. Patterns were found of the influence of the nature of substituents in the organic compound on the ionization constants of acid groups and stability of complexes. Molar extinction coefficients, equilibrium constants of the formation reactions and instability constants for the complexes were calculated. The structure of complexes was suggested. Similar behaviour of all the reagents was established in the complex ...
1976-01-01
Energy Technology Data Exchange (ETDEWEB)
This work proposes an innovative blend of potassium carbonate (K{sub 2}CO{sub 3}) and piperazine (PZ) as a solvent for CO{sub 2} removal from combustion flue gas in an absorber/stripper. The equilibrium partial pressure and the rate of absorption of CO{sub 2} were measured in a wetted-wall column in 0.0 to 6.2 m K{sup +} and 0.6 to 3.6 m PZ at 25 to 110 C. The equilibrium speciation of the solution was determined by {sup 1}H NMR under similar conditions. A rigorous thermodynamic model, based on electrolyte non-random two-liquid (ENRTL) theory, was developed to represent equilibrium behavior. A rate model was developed to describe the absorption rate by integration of eddy diffusivity theory with complex kinetics. Both models were used to explain behavior in terms of equilibrium constants, activity coefficients, and rate constants. The addition of potassium to the amine increases the concentration of CO{sub 3}{sup 2-}/HCO{sub 3}{sup -} in solution. The buffer ...
2005-04-18
Desorption of CO{sub 2} from MDEA and activated MDEA solutions
Energy Technology Data Exchange (ETDEWEB)
A packed column was used for investigating the desorption rate of CO{sub 2} from aqueous methyldiethanolamine (MDEA) and activated MDEA solutions. Experiments were conducted within the temperature range 30--70 C, the concentration of MDEA was 4.28 kmol/m{sup 3}, and the concentration of piperazine (PZ) was 0.10 kmol/m{sup 3} for aqueous activated MDEA solutions. Experimental data confirmed that the kinetics model of absorption CO{sub 2} into aqueous MDEA and activated MDEA solutions can be applicable to the situations in which desorption occurs, and the desorption rate of model predictions agree well with that of experimental determination.
1995-03-01
CO2 CAPTURE BY ABSORPTION WITH POTASSIUM CARBONATE
Energy Technology Data Exchange (ETDEWEB)
The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO{sub 3} promoted by piperazine. Progress has been made in this reporting period on three subtasks. A simple thermodynamic model has been developed to represent the CO{sub 2} vapor pressure and speciation of the new solvent. A rate model has been formulated to predict the CO{sub 2} flux with these solutions under absorber conditions. A process and instrumentation diagram and process flow diagram have been prepared for modifications of the existing pilot plant system.
2002-10-01
Energy Technology Data Exchange (ETDEWEB)
Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) is the first enzyme in the biosynthetic pathway of the branched-chain amino acids. It catalyzes the conversion of two molecules of pyruvate into 2-acetolactate or one molecule of pyruvate and one molecule of 2-ketobutyrate into 2-aceto-2-hydroxybutyrate. AHAS requires the cofactors thiamine diphosphate (ThDP), Mg{sup 2+} and FAD for activity. The herbicides that target this enzyme are effective in protecting a broad range of crops from weed species. However, resistance in the field is now a serious problem worldwide. To address this, two new sulfonylureas, monosulfuron and monosulfuron ester, have been developed as commercial herbicides in China. These molecules differ from the traditional sulfonylureas in that the heterocyclic ring attached to the nitrogen atom of the sulfonylurea bridge is monosubstituted rather than disubstituted. The structures of these compounds in complex with the catalytic subunit of Arabidopsis ...
2009-08-17
CO2 Capture by Absorption with Potassium Carbonate
Energy Technology Data Exchange (ETDEWEB)
The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO3 promoted by piperazine (PZ). Pilot plant testing was performed in a 16.8-inch ID absorber and stripper with recirculation of air and CO{sub 2}. Three solvents (7 m MEA, 5 m K{sup +}/2.5 m PZ, and 6.4 m K{sup +}/1.6 m PZ) were tested in four campaigns with three different absorber packings. Pilot plant testing established that 5 m K{sup +}/2.5 m PZ requires two times less packing than 7 m MEA and three times less packing than 6.4 m K{sup +}/1.6 m PZ. A rigorous model of the thermodynamics and mass transfer was developed in the RateSep{trademark} block of AspenPlus{reg_sign}. The double matrix stripper reduces energy consumption by 5 to 15%. The best K{sup +}/PZ solvent, 4 m K{sup +}/4 m PZ, and the best process configuration, double matrix stripper with a double intercooled absorber, requires ...
2007-08-31
CO2 CAPTURE BY ABSORPTION WITH POTASSIUM CARBONATE
Energy Technology Data Exchange (ETDEWEB)
The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO{sub 3} promoted by piperazine. Stripper modeling suggests the energy requirement with a simple stripper will be about the same for 5 m K{sup +}/2.5 m PZ and 7 m MEA. Modeling with a generic solvent shows that the optimum heat of CO{sub 2} desorption to minimize heat duty lies between 15 and 25 kcal/gmol. On-line pH and density measurements are effective indicators of loading and total alkalinity for the K+/PZ solvent. The baseline pilot plant campaign with 30% MEA has been started.
2005-04-29
Carbon dioxide absorption with aqueous potassium carbonate promoted by piperazine
Energy Technology Data Exchange (ETDEWEB)
This paper presents thermodynamic and kinetic data collected for aqueous blends of piperazine (PZ), an ethylamine, and potassium carbonate (K{sub 2}CO{sub 3}). Mixtures of K{sup +} and PZ have been investigated in a wetted-wall column at 40 to 80{sup o}C, typical conditions for an industrial absorber. The addition of 0.6 m PZ to 20 wt% (3.6 m) K{sub 2}CO{sub 3} increases the rate of CO{sub 2} absorption by a factor of ten from the value in unpromoted solutions at 60{sup o}C. The addition of PZ increases the heat of absorption from 4 kcal/mol in 3.6 m K{sup +} to 10 kcal/mol when 0.6 m PZ is added. The capacity, ranging from 0.4 to 0.7 mol-CO{sub 2}/kg-H{sub 2}O, approaches that of monoethanolamine (MEA) solutions and seems to be a strong function of K{sup +} concentration. Speciation of the solution was obtained using proton nuclear magnetic reasonance (NMR), verifying and quantifying the presence of three PZ species. An equilibrium model and a rate model were ...
2003-07-01
Technetium-99m dithiocarbamates as potential agents for brain imaging
International Nuclear Information System (INIS)
Thallium-201 diethyldithiocarbamate (DDC) behaves like a chemical microsphere and is trapped by spontaneous decomposition in the brain in proportion to regional perfusion. They have shown that the technetium-99m analog, Tc-99m DDC (1), is unsuitable for cerebral perfusion imaging because it does not decompose rapidly enough to be trapped in the brain. With the goal of turning this greater stability of 1 into an advantage, a series of dithiocarbamates with lipophilic or amine groups designed to enhance cerebral uptake and retention was prepared from the following amines by reaction with carbon disulfide and sodium hydroxide: pyrrolidine (2), piperazine (3), 4-benzylpiperazine (4), and 4-(1-piperidino)piperidine (5). These ligands (5 mg) were labelled with Tc-99m in > 95% efficiency (ITLC-SG, saline) by reduction of pertechnetate at room temperature with formamidine sulfinic acid at alkaline pH. In preliminary studies, 4 and 5 show a trend of increasing oil/buffer ...
Reduction of CO{sub 2} concentration in a zinc/air battery by absorption in a rotating packed bed
Energy Technology Data Exchange (ETDEWEB)
The reduction of CO{sub 2} concentration in a gas stream containing 500ppm of CO{sub 2} by a technique combining chemical absorption with Higee (high gravity) was investigated in this study. Using a 2.0L aqueous amine-based solution to treat the feed gas with a flow rate which varied from 12.9 to 20.6Lmin{sup -1}, piperazine (PZ) was found to be more effective than 2-(2-aminoethylamino) ethanol (AEEA) and monoethanolamine (MEA) for reducing the CO{sub 2} concentration to a level below 20ppm. The effects of temperature, rotating speed, amine solution flow rate, and gas flow rate on the removal efficiency of CO{sub 2} were systematically examined. The results indicated that the proposed compact device could effectively reduce CO{sub 2} to a level below 20ppm, as required by a zinc/air battery, for a long period of time using PZ and its mixture with AEEA and MEA as the absorbents. (author)
2006-11-22
Aminated poly(vinyl chloride) (PVC) membranes were prepared that had a Nernstian response over a wide range of pH. The reaction between PVC and methyl-piperazine (MePIP) in dimethylformamide (DMF) was studied over a wide range of time and temperature, and in the presence of the catalyst, potassium fluoride (KF). Time, temperature, and KF increased the nitrogen (N) content of the resulting polymers, but sometimes at the expense of decreasing their specific viscosities (molecular weights). Activation energies of processes that occurred in different temperature ranges were estimated assuming an Arrhenius relationship. A Nernstian response occurred once the N content approached to about 0.3 w/w %, and was accelerated by the presence of KF at elevated temperatures. Increasing the N content above about 3% led to a loss of the Nernstian response either because of an increase in the double bond content and a subsequent decrease in polymer mobility, or because of a decrease ...
1998-03-15
CO2 Capture by Absorption with Potassium Carbonate
Energy Technology Data Exchange (ETDEWEB)
The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO{sub 3} promoted by piperazine. In Campaign 3 of the pilot plant, the overall mass transfer coefficient for the stripper with 7 m MEA decreased from 0.06 to 0.01 mol/(m{sup 3}.s.kPa) as the rich loading increased from 0.45 to 0.6 mol CO{sub 2}/mol MEA. Anion chromatography has demonstrated that nitrate and nitrite are major degradation products of MEA and PZ with pure oxygen. In measurements with the high temperature FTIR in 7 m MEA the MEA vapor pressure varied from 2 to 20 Pa at 35 to 70 C. In 2.5 m PZ the PZ vapor pressure varied from 0.2 to 1 Pa from 37 to 70 C.
2005-01-26
International Nuclear Information System (INIS)
Assessment of the roles of the carboxyl-terminal #beta#146 histidyl residues in the alkaline Bohr effect in human and normal adult hemoglobin by high-resolution proton nuclear magnetic resonance spectroscopy requires assignment of the resonances corresponding to these residues. By a careful spectroscopic study of human normal adult hemoglobin, enzymatically prepared des(His146#beta#)-hemoglobin, and the mutant hemoglobins Cowtown (#beta#146His #-># Leu) and York (#beta#146His #-># Pro), the authors have resolved some of these conflicting results. By a close incremental variation of pH over a wide range in chloride-free 0.1 M N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid buffer, a single resonance has been found to be consistently missing in the proton nuclear magnetic resonance spectra of these hemoglobin variants. The results indicate that the contribution of the #beta#146 histidyl residues is 0.52 H"+/hemoglobin tetramer at pH 7.6, markedly less ...
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