The formula for the FRET rate constant (kFRET) is kFRET = (CK2/(n4 R6), where C is a factor calculated from spectral overlap integral between the two Chls, K is the dipole orientation factor and n is the refractive index. The applied C value for Chl a to Chl a was 32.26 and...
H and 13CNMR spectroscopy for resolving and identifying the nature of chemical sites in the sample; Mass spectroscopy also for the detection of molecular weight and the overall analysis indicating a structure of the active constituent of the said extract with a molecular formula = C35H70O2, ...
2 for CSI:FingerID results without structure–disjoint evaluation). Fig. 2: Separation by hit score for different in silico tools, using the CASMI 2016 contest submissions. Positive ion mode; candidates retrieved by molecular formula. a–e, Searching the biomolecule structure database (n = ...
Fig. 3. Identification of the LTP ligands by mass spectrometry (LC-ESI-QQQ) A) Structural formula of the ligand of CPT-PHS ligand reported in Cubells-Baeza et al. [9]. B) Identification of the m/z values obtained from the fragmentation of the CPT-PHS ligand. Positive ion mass spectra...
New antineoplastic substances have been isolated, structurally elucidated and synthesized having a general structural formula of: ##STR1## wherein: R1 is OH or OCH3 ; R
(2-methacryloyloxymethyl) phosphate; ethyl methacryloyloxyethyl phosphate; methyl acryloyloxyethyl phosphate; ethyl acryloyloxyethyl phosphate; compounds of Formula IV wherein R.sup.3 is hydrogen or methyl and R.sup.4 is propyl, isobutyl, ethylhexyl, halopropyl, haloisobutyl or haloethylhexyl; vinly ...
The largest values of ΔG° are found for 6. The thermodynamic and UV-vis data reveal that the methylide and the phosphine ligand have an almost identical electronic trans-influence on the sixth ligand. 展开 关键词: sparteine acetate Jahn-Teller distortion X-ray structure ...
Table 1. Experimental and Calculated Masses and Structural Formulae for the m/e = 275 Ion Mass (Expected) (amu)Mass (Calculated) (amu)Error (mmu)Error (ppm)Formula 275.017210 275.013854 3.36 12.20 12C201H316O2 275.017210 275.019729 −2.52 −9.16 12C131H716O7 275.017210 275.010349 6.86 24.9...
Scientific Reports | 6:32898 | DOI: 10.1038/srep32898 10 www.nature.com/scientificreports/ Compound Empirical formula Formula weight Crystal system, space group Unit cell dimensions [Å, °] Volume [Å3] Z, Calculated density [Mg/m3] F(000) Crystal size [mm] θ range for data ...
The data revealed that 4 was also able to form 1,3-diaxial conformation between H-8a and C-16, which is the same stereochemical ambiguity as virantmycin13 and benzastatin D.14,15 Structural elucidations of 2 and 4 As shown in Table 1, the molecular formulae of 2 and 4 had one ...