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Chemists at MIT have developed a novel way to synthesize himastatin, a natural compound that has shown potential as an antibiotic.
BYU researchers have created a miniaturized, portable version of a tool now capable of analyzing Mars’ atmosphere — and that’s just one of its myriad possible uses.For decades mass spectrometers have ...
Effects of Buried Ionizable Amino Acids on the Reduction Potential of Recombinant Myoglobin
Buried Ionizable Amino Acids Reduction Potential Recombinant Myoglobin
2016/5/20
The temperature dependences of the reduction potentials (E degrees') of wild-type human myoglobin (Mb) and three site-directed mutants have been measured by the use of thin-layer spectroelectrochemist...
TSRI Chemists Find Efficient,Scalable Way to Synthesize Potential Brain-Protecting Compound
TSRI Chemists Find Efficient Brain-Protecting Compound
2015/6/18
Chemists at The Scripps Research Institute (TSRI) have invented the first practical, scalable method for synthesizing jiadifenolide, a plant-derived molecule that may have powerful brain-protecting pr...
Water Saturation Dependence on CO2 Sorption Potential of Sandstones
CO2 Water Saturation Sorption Potential Sandstones
2013/3/8
For the assessment of the carbon dioxide (CO2) storage potential of water-filled reservoir rocks (i.e., saline aquifers), it should be first important step for a thorough understanding of the effect o...
Approximate L-State Solution of the Rotating Trigonometric P鰏chl-Teller Potential
Schrodinger equation trigonometric Poschl-Teller (PT) potential Kratzer potential Nikiforov-Uvarov method
2012/5/28
The trigonometric P\"oschl-Teller (PT) potential describes the diatomic molecular vibration. We have obtained the approximate solutions of the radial Schr\"odinger equation (SE) for the rotating trigo...
Modification of the Gay-Berne potential for improved accuracy and speed
Modification of the Gay-Berne potential accuracy and speed Chemical Physics
2012/5/29
A modification of the Gay-Berne potential is proposed which is about 10% to 20% more speed efficient (that is, the original potential runs 15% to 25% slower, depending on architecture) and statistical...
Singular limit in the optimized effective potential with finite basis sets
Singular limit optimized effective potential finite basis sets
2011/8/19
Abstract: Most finite-basis set implementations of the optimized effective potential (OEP) method leave the potential undetermined, when the auxiliary basis set for the potential is sufficiently large...
Prediction of the derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potential
derivative discontinuity Prediction density functional theory electrostatic description correlation potential
2011/8/5
Abstract: We propose a new approach to approximate the exchange and correlation (XC) functional in density functional theory. The XC potential is considered as an electrostatic potential, generated by...
Stability study of passive film on copper surface as a function of anodic potential
Electrochemical impedance spectroscopy model circuits copper surface passive film transition stage interfaces diffusion coefficient
2011/4/6
Results for passive film formation and breakdown on copper disk electrodes in buffer solutions, pH 9.2 and 8.5, were reported earlier. The present studies were carried out in a buffer solution, pH 8.0...
Computational study on nitronium squarate - potential oxidizers for solid rocket propulsion?
Ammonium perchlorate combustion, nitronium squaric acid oxidizers
2010/12/29
The enthalpies of formation for solid ionic nitronium squarate, [NO2]2[C4O4], and covalent squaric acid dinitrate ester, O2N-C4O4-NO2, were calculated using the complete basis set (CBS-4M) method of P...
Computational study on nitronium squarate - potential oxidizers for solid rocket propulsion?
Ammonium perchlorate combustion nitronium squaric acid oxidizers specific impulse rocket propellants
2010/12/20
The enthalpies of formation for solid ionic nitronium squarate, [NO2]2[C4O4], and covalent squaric acid dinitrate ester, O2N-C4O4-NO2, were calculated using the complete basis set (CBS-4M) method of P...
Electrochemical impedance spectroscopic studies of the passive layer on the surface of copper as a function of potential
cyclic voltammetry passive film interfaces
2010/12/3
Electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) were used to investigate the oxide layer formed on a copper disc electrode and the changes that took place when treated potenti...
Electrochemical Impedance Spectroscopic Studies of Passive Layer on Copper Surface as a Function of Potential.
Copper electrochemical impedance spectroscopy cyclic voltammetry
2010/10/19
Electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) were used to investigate the oxide layer formed on a copper disc electrode and the changes that took place when treated potenti...
Synthesis and characterization of novel triazol compounds containing a thiophen ring as potential antifungal agents and the structure of 2-(2-hydroxy-2-p-tolyethyl)-5-(thiophen-2-ylmethyl)- 4-(4H-1,2,4-triazol-4-yl)-2H-1,2,4-triazol-3(4H)-one
Synthesis 1,2,4-triazole-3-one NaBH4 LiAlH4 antimicrobial activity
2010/10/18
A series of new 4-(3,5-disubstitue-4H-1,2,4-triazol-4-yl)- 5-(thiophen-2-yl-methyl)-2H-1,2,4-triazol-3(4H)-ones (3a-c) were obtained by reaction N'-1-ethoxy-2-thiophen-2-yl-ethylydene hydrazino carbox...