Medical and Biomedical Researches

Experimental and Computational Investigation of Gas-Phase Reaction of Chlorine with n-Propanol: Obse

March 16th, 2008
Experimental and Computational Investigation of Gas-Phase Reaction of Chlorine with n-Propanol: Observation of Chloropropanol Conformational Isomerization at Room Temperature. FTIR smog chamber techniques were used to measure k(Cl+n-C3H7OH) = (1.74 +/- 0.15) x 10-10 and k(Cl+CH2ClCH2CH2OH) = (7.54 +/- 0.73) x 10-11 cm3 molecule-1 s-1 in ...

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A Microwave Spectroscopic and Quantum Chemical Study of 3-Butyne-1-selenol (HSeCH(2)CH(2)CCH).

March 16th, 2008
A Microwave Spectroscopic and Quantum Chemical Study of 3-Butyne-1-selenol (HSeCH(2)CH(2)CCH). The microwave spectrum of 3-butyne-1-selenol has been studied by means of Stark-modulation microwave spectroscopy and quantum chemical calculations employing the B3LYP/aug-cc-pVTZ and MP2/6-311++G(3df,3pd) methods. Rotational transitions attributable to the H80SeCH2CH2CCH and H78SeCH2CH2CCH isotopologues of two conformers ...

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Use of Effective Core Potential Calculations for the Conformational and Vibrational Study of Platinu

March 16th, 2008
Use of Effective Core Potential Calculations for the Conformational and Vibrational Study of Platinum(II) Anticancer Drugs. cis-Diamminedichloroplatinum(II) as a Case Study. In the light of the recognized anticancer properties of cisplatin-type inorganic systems, the exact knowledge of their conformational preferences is of the utmost importance for ...

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Electronic State Spectroscopy of c-C(5)F(8) Explored by Photoabsorption, Electron Impact, Photoelect

March 16th, 2008
Electronic State Spectroscopy of c-C(5)F(8) Explored by Photoabsorption, Electron Impact, Photoelectron Spectroscopies and Ab Initio Calculations. The electronic transitions and resonance-enhanced vibrational excitations of octafluorocyclopentene (c-C5F8) have been investigated using high-resolution photoabsorption spectroscopy in the energy range 6-11 eV. In addition, the high-resolution electron energy loss ...

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Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics

March 16th, 2008
Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(eta(5)-C(5)H(4)CH(3))(2) and Fe[(eta(5)-(C(5)H(5))(eta(5)-C(5)H(4)CHO)]. The standard molar enthalpies of sublimation of ferrocene, 1,1\'-dimethylferrocene, decamethylferrocene, ferrocenecarboxaldehyde and alpha-methylferrocenemethanol, and the enthalpy of vaporization of N,N-dimethyl(aminomethyl)ferrocene, at 298.15 K, were determined ...

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Temperature Dependences for the Reactions of O(-) and O(2)(-) with O(2)(a(1)Delta(g)) from 200 to 70

March 16th, 2008
Temperature Dependences for the Reactions of O(-) and O(2)(-) with O(2)(a(1)Delta(g)) from 200 to 700 K. Rate constants and product ion distributions for the O- and O2- reactions with O2(a 1Deltag) were measured as a function of temperature from 200 to 700 K. The measurements were ...

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A New Scale of Electronegativity Based on Electrophilicity Index.

March 16th, 2008
A New Scale of Electronegativity Based on Electrophilicity Index. By calculating the energies of neutral and different ionic forms (M2+, M+, M, M-, and M2-) of 32 elements (using B3LYP/6-311++G** level of theory) and taking energy (E) to be a Morse-like function of the number of ...

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Ultrafast Intramolecular Charge Transfer with Strongly Twisted Aminobenzonitriles: 4-(Di-tert-butyla

March 16th, 2008
Ultrafast Intramolecular Charge Transfer with Strongly Twisted Aminobenzonitriles: 4-(Di-tert-butylamino)benzonitrile and 3-(Di-tert-butylamino)benzonitrile. The newly synthesized aminobenzonitriles with two bulky amino substituents 4-(di-tert-butylamino)benzonitrile (DTABN) and 3-(di-tert-butylamino)benzonitrile (mDTABN) have strongly twisted amino groups in the ground state. From X-ray crystal analysis it is found that the amino twist angle ...

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Effects of Ionic Liquid [bmim][PF(6)] on Absorption Spectra and Reaction Kinetics of the Duroquinone

March 16th, 2008
Effects of Ionic Liquid [bmim][PF(6)] on Absorption Spectra and Reaction Kinetics of the Duroquinone Triplet State in Acetonitrile. The transient absorption spectra and photoinduced electron-transfer process of duroquinone (DQ) in mixed binary solutions of ionic liquid (IL) [bmim][PF6] and acetonitrile (MeCN) have been investigated by laser ...

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Easy Ambient Sonic-Spray Ionization Mass Spectrometry Combined with Thin-Layer Chromatography.

March 16th, 2008
Easy Ambient Sonic-Spray Ionization Mass Spectrometry Combined with Thin-Layer Chromatography. On-spot detection and analyte characterization on thin-layer chromatography (TLC) plates is performed via ambient desorption/ionization and (tandem) mass spectrometry detection, that is, via easy ambient sonic spray ionization mass spectrometry (EASI-MS). As proof-of-principle cases, mixtures of ...

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Parallel Electrophoretic Depletion, Fractionation, Concentration, and Desalting of 96 Complex Biolog

March 16th, 2008
Parallel Electrophoretic Depletion, Fractionation, Concentration, and Desalting of 96 Complex Biological Samples for Mass Spectrometry. The preparation of complex biological samples for high-throughput mass spectrometric analyses remains a significant bottleneck, limiting advancement of the capabilities of mass spectrometry (MS) and ultimately limiting development of novel clinical ...

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Isolation of Discrete Nanoparticle-DNA Conjugates for Plasmonic Applications.

March 16th, 2008
Isolation of Discrete Nanoparticle-DNA Conjugates for Plasmonic Applications. Discrete DNA-gold nanoparticle conjugates with DNA lengths as short as 15 bases for both 5 and 20 nm gold particles have been purified by anion-exchange HPLC. Conjugates comprising short DNA (<40 bases) and large gold particles (>/=20 nm) ...

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Spin-Polarizable Excitonic Luminescence in Colloidal Mn(2+)-Doped CdSe Quantum Dots.

March 16th, 2008
Spin-Polarizable Excitonic Luminescence in Colloidal Mn(2+)-Doped CdSe Quantum Dots. The photoluminescence of colloidal Mn (2+)-doped CdSe nanocrystals has been studied as a function of nanocrystal diameter. These nanocrystals are shown to be unique among colloidal doped semiconductor nanocrystals reported to date in that quantum confinement allows ...

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