Bestimmung von Wasser in Dichloressigsäure

Water concentrations in dichloroacetic acid in the range of 0<C <1 % (C = percent by weight) can be determined directly by photometry at 1425 nm. The absorbance A at this maximum is described by the function A=1.267×C^0.93 (cell path d=5 cm, correlation coefficient r=0.997). The variation coefficient for water concentrations of ≈0.06% was found to be V=6.5%.     

Crystal structure of 1-hydroxy-1,2,3-benzotriazolium diphenyl phosphate reveals strong NHO and OHO hydrogen bonds

The structure of 1-hydroxy-1,2,3-benzotriazolium diphenyl phosphate (HOBt/DPP) has been investigated by X-ray analysis. The compound crystallizes in the monoclinic space group P2₁/n with Z = 4 and the following lattice parameters: a = 11.711(2), b = 12.727(2) and c = 12.794(3) Å, β = 105.12(2)°, V = 1840.9(6) ų. The structure was solved by direct methods and refined on F² to R values of wR2 = 0.084 and R1 = 0.034 for 1985 observed reflections. HOBt/DPP has an ionic structure with very short OHO and NHO hydrogen bonds linking the different ions. Owing to these hydrogen bonds, infinite screw-shaped chains which are twisted parallel to the y-axis are formed.     

The Infrared Spectra of the First Transition Series Metal(II) Bis(Aquo) Complexes Of 8-Hydroxyquinoline

Abstract

The infrared spectra (700–100 cm^?1) of the complexes [M(ox)₂(H₂O)₂] (ox = 8-hydroxyquinolinate anion, M = Mn, Fe, Co, Ni, Cu, Zn) are discussed. For the purposes of assignment of the metal ligand modes, deuterated 8-hydroxyquinoline-d ₇ was prepared by the Skraup synthesis and the spectra of the deuterated complexes were compared with those of the unlabelled species. Furthermore, [⁶⁴Zn(ox)₂(H₂O)₂] and [⁶⁸Zn(ox)₂(H₂O)₂] were prepared by reaction of ⁶⁴ZnSO₄ and ⁶⁸ZnSO₄ with 8-hydroxyquinoline and the effects of metal isotope labelling on the spectra were examined and compared with earlier isotopic data on the nickel and zinc complexes.     

A Double Isotopic Labelling Study of the Infrared Spectra of the Linkage Isomers [Pd(bipy)(SCN)2], [Pd(bipy)(NCS)2] and Related Complexes

Abstract

The IR spectra of the linkage isomers [Pd(bipy)(SCN)₂] and [Pd(bipy)(NCS)₂] have been determined in the C≡N stretching region (2200–2000 cm^?1) and below 500 cm^?1. The band shifts resulting from deuteration of the 2,2′-bipyridine (bipy) ring and ¹⁵NCS-labelling are shown to provide a ready means for distinguishing between the internal ligand modes, the μPd-N(bipy) and μPd-SCN/μPd-NCS vibrations. The assignment technique has been further extended to the complexes [Pt(bipy)(SCN)₂] and [Pd(phen)(SCN)₂] (phen = 1,10-phenanthroline). Finally, a comparison between the IR spectra of [Pd(bipy)(NCO)₂], [Pd(bipy)(NCS)₂] and [Pd(bipy)(SCN)₂] reveals that the frequencies μM-NCO, μM-NCS and μM-SCN decrease in the sequence NCO > NCS > SCN.     

A space-time adaptive method for simulating complex cardiac dynamics

For plane-wave and many-spiral states of the experimentally based Luo-Rudy 1 model of heart tissue in large (8 cm square) domains, we show that a space-time-adaptive time-integration algorithm can achieve a factor of 5 reduction in computational effort and memory-but without a reduction in accuracy-when compared to an algorithm using a uniform space-time mesh at the finest resolution. Our results indicate that such an algorithm can be extended straightforwardly to simulate quantitatively three-dimensional electrical dynamics over the whole human heart.     

Phase-shifted Bragg microstructured optical fiber gratings utilizing infiltrated ferrofluids

Results are presented on the efficient spectral manipulation of uniform and chirped Bragg reflectors inscribed in microstructured optical fibers utilizing short lengths of ferrofluids infiltrated in their capillaries. The infiltrated ferrofluidic defects can generate either parasitic reflection notch features in uniform Bragg reflectors of up to 80% visibility and ~0.1 nm spectral shift or tunability of the bandwidth and strength reflection up to 100% when introduced into chirped gratings. Spectra are presented for different spatial positions and optical characteristics of the ferrofluidic section.     

A comparison study of multishot vs. single-shot DWI-EPI in the neonatal brain: reduced effects of ghosting compared to adults

In the neonatal brain, it is important to use a fast imaging technique to acquire all diffusion weighted images (DWI) for apparent diffusion coefficient (ADC) calculation. Taking into account the occurrence of typical echo planar imaging (EPI) artifacts, we have investigated whether single-shot (SSh) or multishot (MSh) DWI-EPI should be preferred. In 14 neonates, 17 adult patients and 5 adult volunteers, DWIs are obtained both with SSh and MSh EPI. The occurrence of artifacts and their influence on the ADC are explored and further quantified using simulations and phantom studies. Two radiologists scored overall image quality and diagnosability of all images. Single-shot and MSh DWI-EPI scored equally well in neonates with respect to overall image quality and diagnosability. In newborns, more motion artifacts in MSh can be noticed while N/2-ghost artifacts in SSh occur less frequently than in adults. Both N/2-ghost and motion artifacts result in significant ADC abnormalities. There is a serious risk that these artifacts will be mistaken for genuine diffusion abnormalities. N/2-ghost artifacts are hardly noticed in the neonatal brain, which might be due to smaller cerebrospinal fluid (CSF) velocity than in adults. Apparent diffusion coefficient values in MSh are unreliable if motion occurs. We conclude that for ADC calculations in neonates SSh DWI-EPI is more reliable than MSh.     

Correction to: Quantitative analysis of PET microplastics in environmental model samples using quantitative 1H-NMR spectroscopy: validation of an optimized and consistent sample clean-up method

Analytical and Bioanalytical Chemistry - The original version of this article contained a mistake.