Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixture.

We present an efficient implementation for the calculation of maximally localized Wannier functions (MLWFs) during parallel Car-Parrinello molecular dynamics simulations. The implementation is based on a block Jacobi method. The calculation of MLWFs results in only a moderate (10%-20%) increase in computer time.

Calculation of the deuteron quadrupole relaxation rate in a mixture of water and dimethyl sulfoxide.

An approach is presented that allows NMR relaxation rates to be determined for a complex mixture, and it is applied to a dimethyl sulfoxide/water solution. This approach is novel for such systems, having only been used for simple systems such as atomic liquids or atomic ions in liquids until now. It involves use of a predetermined, quantum mechanical, multidimensional property surface in a simulation.

Fast anomalous diffusion of small hydrophobic species in water.

Using Car-Parrinello molecular dynamics a structural diffusion mechanism for the simplest hydrophobic species in water, an H atom, is proposed. The hydrophobic solvation cavity is a highly dynamical aggregate that actually drives, by its own hydrogen-bond fluctuations, the diffusion of the enclosed solute. This makes possible an anomalously fast diffusion that falls only short of that of "Grotthuss structural diffusion" of H+ in water.

The secret of dimethyl sulfoxide-water mixtures. A quantum chemical study of 1DMSO-nwater clusters.

DMSO-water mixtures exhibit a marked freezing point depression, reaching close to 60 K at n(DMSO) = 0.33. The phase diagram indicates that stable DMSO-water clusters may be responsible for this phenomenon.

[Exposure testing with powdered gloves in 60 health care workers with latex allergy].

Background And Objective: Type 1 sensitization to natural rubber latex occurs in up to 22% of health care workers. Most sensitizations are due to the use of powdered latex gloves. Work place-associated exposure tests were performed to ascertain how frequently persons who developed breathing difficulties, rhinitis/conjunctivitis or obstructive respiratory tract illness when using powdered latex gloves are allergic to latex.

[The latency period between exposure and the symptoms in allergy to natural latex. Suggestions for prevention].

Basic Problem And Objective Of Study: Among persons working in the health care system allergies caused by natural rubber latex (NRL) are more common than among the general population, because the frequent use of latex gloves and other latex articles may cause sensitisation. A retrospective study was undertaken to determine the period before such an allergy occurs.

Patients And Methods: 63 patients (53 women and 10 men; mean age 31.

Use of vancomycin hydrochloride for treatment of Clostridium difficile enteritis in Syrian hamsters.

As part of an 18-month carcinogenicity study, 680 Syrian hamsters (Mesocricetus auratus) received daily gavage doses of fenazaquin, an experimental miticide. Mortality associated with severe enteritis was noticed beginning when the hamsters were 4 months old and ranged from one to five deaths per month until the hamsters were about 10 months old, when 41 deaths occurred in a 1-month period. Ante- and postmortem findings were consistent with those reported for antibiotic-induced enteritis in hamsters.

Intraoperative, probe-guided curettage of osteoid osteoma.

The only curative approach for osteoid osteoma is operative removal of the nidus, but intraoperative detection of the nidus is difficult even when an X-ray amplifier is used. A simple probe-guided operative procedure using technetium-99m methylene diphosphonate is described, and the results and follow-up in 12 patients are reported. In addition physical properties of the probe have been evaluated by phantom measurements.

N-(2-diethylaminoethyl)-4-[123I]iodobenzamide as a tracer for the detection of malignant melanoma: simple synthesis, improved labelling technique and first clinical results.

In order to evaluate the behaviour of N-(2-diethylaminoethyl)-4-[123I]iodobenzamide in malignant melanotic disease, we synthesized the bromo compound in a simple one-step reaction. Labelling was performed by non-isotopic bromine-iodine-123 exchange in radiochemical yields up to 60%. By means of isocratic high-performance liquid chromatography, the iodinated product could be isolated with high apparent specific activity.

[The value of sequential scintigraphy of the liver in postactinic liver lesions].

Dynamic hepatobiliary scintigraphy is the only method which enables non-invasive monitoring of regional function of liver parenchyma. It allows early detection of functional impairment due to radiation hepatitis. This method is simple and reproducible and is therefore suitable for follow-up of this disease.

[Atypical bone metastases in prostate cancer].

Two cases of prostatic cancer with single bone metastasis in the tibia are discussed. The intense uniform involvement of a solitary limb bone with high perfusion and blood pool activity in the 3-phase bone scan and the positive white blood cell scan (observed in one case) were not typical for a metastatic bone lesion. Conventional radiomorphology--lamellar, periosteal reaction, disseminated medullar sclerosis, no localized lesion--also led to other differential considerations such as osteomyelitis and malignant lymphoma, which could not be specified by CT and MRI.

Spontaneous bronchopneumonia in laboratory dogs infected with untyped Mycoplasma spp.

Three Mycoplasma spp. were isolated from five colony bred laboratory dogs (Canis familiaris) obtained from a single vendor. Four of these animals were Beagles and one was a mongrel.

[Immunoscintigraphy of the hematopoietic bone marrow in osteomyelofibrosis].

In planning the treatment of splenomegaly in primary or secondary osteomyelofibrosis it is necessary to know whether there is any significant hematopoiesis outside the spleen. In contrast to the measurement of iron kinetics with 59Fe, which is not suitable for imaging, immunoscintigraphy with the monoclonal antibody Bw 250/183 allows specific imaging of the hematopoietic bone marrow. The diagnostic use of this method in addition to iron kinetics is illustrated and discussed in a patient with primary osteomyelofibrosis.

[Nitrogen balance in tumor and host in the animal model].

The importance of malnutrition as major cause of morbidity and mortality in cancer patients is well documented. It has been shown that nutritional therapy improves well-being and nutritional status of the patient, but the tumor can also be accelerated by hypercaloric nutrition. Our study does not confirm the induction of tumor growth.

Calcium and phosphorus homeostasis in very-low-birth-weight infants appropriate for gestational age fed human milk.

The concentrations of calcium and phosphorus and the activity of alkaline phosphatase in serum were evaluated in 42 very-low-birth-weight (VLBW) and 83 low-birth-weight (LBW) infants on the 7th, 21st, and 42nd day of life. 9 VLBW and 16 LBW infants were randomized for measurement of the renal excretion of calcium and phosphorus on the 3rd, 5th, 7th, 21st, and 42nd day of life during human milk feeding and 14 VLBW-infants fed human milk supplemented with 1 mmol NaH2PO4 per 100 ml. All serum parameters were found to be normal.

[Calcium and phosphorus homeostasis of hypotrophic newborn infants fed breast milk].

In a randomized prospective study in 26 low birth weight infants (LBWI) small for gestational age (SGA) the concentrations of calcium and phosphorus as well as the activity of alkaline phosphatase in serum were measured up to the 42nd day of life. In addition the renal excretions of calcium and phosphorus were estimated in 12 of these infants. 42 very low birth weight infants (VLBWI) and 83 LBWI, both appropriate for gestational age (AGA), were included in the study as controls.

Pasteurella pneumotropica in rabbits from a "Pasteurella-free" production colony.

Pasteurella pneumotropica was isolated from the nasopharyngeal area of two of five rabbits obtained from a "Pasteurella-free" production colony. No evidence of disease was observed in these rabbits during clinical and necropsy examinations.