Noncovalent interaction of methylene blue dye cation (MB+) with single walled carbon nanotubes (CNT) is characterized by molecular dynamics (MD) simulation, quantum chemical calculations, and laser desorption/ionization (LDI) mass spectrometry. The MD simulation the (MB+)n–CNT (n = 1–10) complexes in water demonstrates that MB+ cations are adsorbed on nanotube surface monomeric form. reveals both parallel perpendicular orientations tricyclic plane relation to long axis CNT when placed...

Abstract Redox behaviour of four imidazophenazine dye derivatives under mass spectrometric conditions matrix‐assisted laser desorption/ionization (MALDI), (LDI) from metal and graphite surface, electrospray, low temperature secondary ion spectrometry (LT SIMS) fast atom bombardment (FAB) was studied distinctions in the reduction‐dependent spectral patterns were analyzed point view different quantities protons electrons available for reduction techniques. The products [M + 2H] +• , 3H] M −•...

Correlations between the structure of samples frozen solutions sodium chloride in water, produced at different parameters phase diagram this system, and clusters pattern corresponding low temperature fast atom bombardment mass spectra are established. Using a model independent sputtering ions from chemically surface domains, it was concluded that origin types phases heterogeneous was: (H2O)nH+—from ice; (NaCl)m•Na+—from anhydrous NaCl; (H2O)n•Na+, (H2O)n•(NaCl)m•Na+, crystalline hydrate...

It is demonstrated herein that poly(ethylene glycol) (PEG) oligomers can form stable complexes with the chlorine anion in gas phase as evidenced by results from electrospray ionization mass spectrometry (ESI-MS) and molecular dynamics simulation. While formation of crown-ether-like structures acyclic polyethers their alkali metal cations coordinated ether oxygen atoms has been extensively studied, possibility forming 'inversed' quasi-cyclic able to bind a monoatomic not proved till now. We...

A hypothesis concerning FAB mechanisms, referred to as a 'bubble chamber model', is proposed. This model can provide an answer the long-standing question how fragile biomolecules and weakly bound clusters survive under high-energy particle impact on liquids. The basis of this simple estimation saturated vapour pressure over surface liquids, which shows that all liquids ever tested by fast atom bombardment (FAB) liquid secondary ion mass spectrometry (SIMS) were in superheated state...

Abstract Satellite [M + 2] +• and 3] peaks accompanying the common peak of protonated molecule H] that are known to indicate occurrence a reduction process were observed in fast atom bombardment (FAB) mass spectra imidazophenazine dye derivatives glycerol matrix. The distribution abundances n group varied noticeably for different derivatives. This indicated levels depending on structure variations studied molecules. In search correlations between spectral pattern structural features dyes, ab...

The preparation of frozen samples, in which the heterogeneous structures differ on a scale comparable to dimensions zone excited by single bombarding particle, has permitted two different processes formation mixed metal/water clusters under fast atom bombardment conditions be distinguished. Sandwich-like structures, sodium ions were located either above or beneath thin layer ice, produced (H2O)n•Na+ cluster patterns. only monohydrate (n = 1) first case was attributed direct sputtering...

Abstract Some features of a ‘matrix suppression effect’ caused by ionic surface‐active compounds under fast‐atom bombardment (FAB) liquid secondary ion mass spectrometry (LSIMS) are being revised. It is shown that abundant transfer the glycerol matrix molecules to gas phase does occur FAB‐LSIMS surfactants, contrary popular belief. This process can be obscure because dependence charge state glycerol‐containing cluster ions on type surfactant. revealed that, while signals really completely...

Abstract RATIONALE Knowledge on noncovalent intermolecular interactions of organic polyethers with amino acids is essential to gain a better understanding how polymers assemble in nanoparticles which are promising for drug delivery and cryoprotection. The main objective the present study was determine around ionizable such as histidine. METHODS Electrospray mass spectrometry applied probe model systems consisting polyethylene glycol PEG‐400 or oxyethylated glycerol OEG‐5 acid histidine...

Mass spectrometric approach to differentiation of monomer or dimer form cationic dye methylene blue adsorption at negatively charged nanolayers is proposed.

Abstract Frozen solutions of a cryoprotector, glycerol, in water were studied by low temperature fast‐atom bombardment mass spectrometry the range from − 196° to 0°C. Strong dependence spectral pattern on water‐glycerol ratio and sample was observed. The evolution spectra frozen 2000:1 mixture with increase is reproducible: lower portion (−196° −120°C) contain set cluster ions, (H 2 O) n H + , ( = 1–15), characteristic pure water; then show superposition peaks due clusters glycerol itself,...

The conditions necessary for formation of mixed water–organic solute clusters under fast-atom bombardment at low temperatures have been investigated by means mass spectrometry. In the cases water–ethanol and water–formaldehyde solutions it was concluded that originate from liquid phase in which samples exist certain as predicted diagrams these mixtures. It found observed pattern independent initial ratio water to ethanol. An explanation this finding is suggested. agreement with previous...

A phenomenon of termination sputtering protonated water clusters (H2O)nH+ in low-temperature secondary emission mass spectrometric studies solid is observed the temperature range crystallization amorphous (ASW). In this spectra contained only H3O+, H2O+•, and OH+ ions. The following explanation revealed suggested: heat supplied to ASW sample by bombarding particles spent on initiation an amorphous–crystalline transition within condensed but not for transfer matter gas phase. At same time...