Results 31 to 40 of about 349,748 (311)
Selenomaltol — Synthesis, Spectroscopy and Theoretical Calculations
- Synthesis and structure of the seleno derivative of maltol (selenomaltol) is described. Structural and energetical properties of possible selenomaltol structures have been calculated at the B1LYP/6-311++G(d,p) level. The lowest energies are always predicted for the keto-enol tautomer.
Tejchman, Waldemar +3 more
openaire +2 more sources
Matrine (MAT), a natural Chinese herbal medicine, has a unique advantage in the treatment of various chronic diseases. However, its low melting point, low bioavailability, and high dosage restrict its subsequent development into new drugs. In this study,
Yeyang Wang +8 more
doaj +1 more source
A benzofuranone type of compound known as 7-hydroxy-3-(1-hydroxyethyl)-5methoxy-3,4-dimethylisobenzofuran-1 (3H)-one (1) and 4,8-dihydroxy-6-methoxy-3,4,5trimethylisochroman-l-one (2) were studied for the molecular modeling using MOPAC.
Wilanfranco Tayone
doaj +1 more source
On the calculation of Mössbauer isomer shift [PDF]
A quantum chemical computational scheme for the calculation of isomer shift in Mössbauer spectroscopy is suggested. Within the described scheme, the isomer shift is treated as a derivative of the total electronic energy with respect to the radius of a ...
Filatov, Michael, +2 more
core +1 more source
A Novel Fluorescent Sensor for Fe3+ Based on a Quinoline Derivative
A new fluorescent sensor for detecting Fe3+ was developed based on chemical modification of the quinoline group. Titration experiments showed that the sensor exhibits high selectivity and sensitivity toward Fe3+, even in complex systems.
Xinru Zhang +8 more
doaj +1 more source
ABSTRACT Background Neuromyelitis optica spectrum disorder (NMOSD) is a relapsing autoimmune disease of the central nervous system. High‐dose intravenous methylprednisolone (IVMP) is the standard first‐line therapy for acute attacks, although some patients remain refractory.
Wataru Horiguchi +5 more
wiley +1 more source
Rational Design of Atomically Dispersed Metal Site Electrocatalysts for Oxygen Reduction Reaction
Future renewable energy supply and a cleaner Earth greatly depend on various crucial catalytic reactions for the society. Atomically dispersed metal site electrocatalysts (ADMSEs) have attracted tremendous research interest and are considered as the next‐
Kechuang Wan +4 more
doaj +1 more source
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee +3 more
wiley +1 more source
The corrosion inhibition performance of pyridine derivatives (4-methylpyridine and its quaternary ammonium salts) and sulfur-containing compounds (thiourea and mercaptoethanol) with different molar ratios on carbon steel in CO2-saturated 3.5 wt.% NaCl ...
Junlei Tang +7 more
doaj +1 more source
In view of the actual gap between the theoretical solution and the measured value of the range of the surrounding rock loose zone excavated by blasting, the formation process and influencing factors of the surrounding rock loose zone after blasting are ...
Gang Lei +4 more
doaj +1 more source

