Machine learning transferable atomic forces for large systems from underconverged molecular fragments.

Machine learning potentials (MLP) enable atomistic simulations with first-principles accuracy at a small fraction of the costs of electronic structure calculations. Most modern MLPs rely on constructing the potential energy, or a major part of it, as a sum of atomic energies, which are given as a function of the local chemical environments up to a cutoff radius. Since analytic forces are readily available, nowadays it is common practice to make use of both, reference energies and forces, for training these MLPs.

A Hessian-based assessment of atomic forces for training machine learning interatomic potentials.

In recent years, many types of machine learning potentials (MLPs) have been introduced, which are able to represent high-dimensional potential-energy surfaces (PESs) with close to first-principles accuracy. Most current MLPs rely on atomic energy contributions given as a function of the local chemical environments. Frequently, in addition to total energies, atomic forces are also used to construct the potentials, as they provide detailed local information about the PES.

Serial Monitoring and Hyperimmunoglobulin versus Standard of Care to Prevent Congenital Cytomegalovirus Infection: A Phase III Randomized Trial.

Introduction: Nonrandomized studies support the potential of cytomegalovirus hyperimmunoglobulin (CMV-HyperIg) in preventing maternofetal CMV transmission, but prospective interventional studies show equivocal results. We pre-sent a prospective phase-III international randomized open-label trial on the potential effect of CMV-HyperIg following serial monitoring of CMV serostatus.

Methods: CMV-seronegative pregnant women (gestational age [GA] <14 weeks) were 1:1 randomized to monthly CMV-serostatus monitoring and CMV-HyperIg upon seroconversion (treatment), or routine prenatal care with CMV-serostatus testing at end of pregnancy (control).

Quality assurance in non-interventional studies.

Nowadays, drug research and surveillance after authorisation becomes more and more important for several reasons. Non-interventional studies (NIS) investigate various aspects of drug use including efficacy and safety under real life conditions. Such kind of health services research should be on a high scientific, methodological and organisational level.

Practice vs ambulatory blood pressure measurement under treatment with ramipril (PLUR Study): a randomised, prospective long-term study to evaluate the benefits of ABPM in patients on antihypertensive treatment.

The usefulness of ambulatory blood pressure monitoring (ABPM) vs casual blood pressure measurement in the physicians practice (PM) for the routine management of patients with hypertension concerning total mortality and morbidity has been compared in a prospective, randomised, open multicentre study with a 5-year follow-up. The study was performed in general practitioners offices in Germany from 1991 to 1997. A total of 1298 patients with essential hypertension were included.

International guidelines on post-authorisation research and surveillance. European Economic Community.

Recently, post authorisation research and surveillance has become more and more important. This article investigates which common standards already exist and which methods and tools are used in this context. This paper focusses on a draft version of the "Notice to applicants for marketing authorisations for medical products for human use in the European Community" which will be mandatory for all EC member countries after its finalization.

[Fatal sodium azide poisoning in a hospital: a preventable accident].

A case of fatal sodium azide poisoning is reported. From the hospital staff, a 57 year old patient had obtained 1 g of sodium azide in order to put it as a preservative, in his 24 hour urinal. Probably due to an error, he swallowed the total dose.

Meta-analysis of environmental and occupational epidemiological studies: a method demonstrated using the carcinogenicity of PCBs as an example.

A method for a meta-analysis of several environmental or occupational epidemiological studies with small prevalences and/or incidences and long latency periods is presented. A combination of statistical evaluations of small prevalences should be done in the following way: (1) selecting relevant and comparable studies, (2) computing exact p-values of Poisson tests and aggregating them by Fisher's method, (3) estimating overall relative risks (or SMRs) by pooling the data of the individual studies and by using weighted sums of the logarithms of the individual risks, and (4) calculating confidence intervals and confidence curves for the overall risks. An example illustrates this technique by investigating the association of exposure to polychlorinated biphenyls (PCBs) at work and cancer mortality in men.

Decline in CD4+ cell numbers in cats with naturally acquired feline immunodeficiency virus infection.

T-cell subsets were studied by fluorescence-activated cell sorter analysis in 57 feline immunodeficiency virus (FIV)-seropositive cats with naturally acquired FIV infection to see whether CD4(+)-CD8+ alterations were comparable to those observed in human immunodeficiency virus-infected patients. CD4+ values were decreased and CD8+ values were increased. The CD4+/CD8+ ratio was reduced to 1.

[T-helper and T-suppressor lymphocyte subpopulations in the peripheral blood of spontaneously FIV-positive cats].

Reduced CD4(+)-T-helper-lymphocyte- and increased CD8(+)-T-suppressor-lymphocyte-subsets were found in peripheral blood of 47 FIV-seropositive cats with naturally acquired FIV-infection. The CD4+/CD8+ ratio was decreased, too. Variance analysis of data included the variables reaction in FIV-test, age group, and race.

[Hemorrhage from the upper gastrointestinal tract as a cause of sudden death].

During the period from 1971 to 1988 there were 212 fatalities out of 24,822 obductions because of gastrointestinal bleeding. Bleeding from oesophagus varices was most often found, followed by bleeding from duodenal ulcer (16%), gastric ulcer (14%) and haemorrhagic gastritis (11%). The sex-ratio was 2:1 in favour of men.

Effects of road traffic noise on prevalence of hypertension in men: results of the Luebeck Blood Pressure Study.

Within the Luebeck Blood Pressure Study - a cross-sectional study of 2,315 Luebeck citizens, aged 30-69 years, response 83.3% - the association between blood pressure and exposure to road traffic noise at home was investigated. Road traffic noise was grouped as HIGH and LOW exposure, hypertension was defined as either SBP greater than or equal to 160 mm Hg and/or DBP greater than or equal to 95 mm Hg and/or on antihypertensive medication.