Extracting Aggregation Free Energies of Mixed Clusters from Simulations of Small Systems: Application to Ionic Surfactant Micelles.

Micelle cluster distributions from molecular dynamics simulations of a solvent-free coarse-grained model of sodium octyl sulfate (SOS) were analyzed using an improved method to extract equilibrium association constants from small-system simulations containing one or two micelle clusters at equilibrium with free surfactants and counterions. The statistical-thermodynamic and mathematical foundations of this partition-enabled analysis of cluster histograms (PEACH) approach are presented. A dramatic reduction in computational time for analysis was achieved through a strategy similar to the selector variable method to circumvent the need for exhaustive enumeration of the possible partitions of surfactants and counterions into clusters. Using statistics from a set of small-system (up to 60 SOS molecules) simulations as input, equilibrium association constants for micelle clusters were obtained as a function of both number of surfactants and number of associated counterions through a global fitting procedure. The resulting free energies were able to accurately predict micelle size and charge distributions in a large (560 molecule) system. The evolution of micelle size and charge with SOS concentration as predicted by the PEACH-derived free energies and by a phenomenological four-parameter model fit, along with the sensitivity of these predictions to variations in cluster definitions, are analyzed and discussed.

Investigation of superconductivity in electrochemically fabricated AuSn nanowires.

We have fabricated intermetallic AuSn nanowires by electrochemical deposition in porous polycarbonate membranes. By controlling the deposition parameters, nanowires of a single intermetallic phase, namely AuSn, can be fabricated. AuSn nanowires are found to be crystalline and fairly resistant to oxidation. Electrical transport measurements on arrays of nanowires showed a superconducting transition temperature, T(c)∼1.5 K. In addition, four-probe measurements were made on individual freestanding nanowires with electrodes formed by a focused ion beam (FIB). Results from the two sets of measurements are found to be in close agreement.

In situ observation of fluoride-ion-induced hydroxyapatite-collagen detachment on bone fracture surfaces by atomic force microscopy.

The topography of freshly fractured bovine and human bone surfaces was determined by the use of atomic force microscopy (AFM). Fracture surfaces from both kinds of samples exhibited complex landscapes formed by hydroxyapatite mineral platelets with lateral dimensions ranging from ∼90 nm × 60 nm to ∼20 nm × 20 nm. Novel AFM techniques were used to study these fracture surfaces during various chemical treatments. Significant topographical changes were observed following exposure to aqueous solutions of ethylenediaminetetraacetic acid (EDTA) or highly concentrated sodium fluoride (NaF). Both treatments resulted in the apparent loss of the hydroxyapatite mineral platelets on a timescale of a few seconds. Collagen fibrils situated beneath the overlying mineral platelets were clearly exposed and could be resolved with high spatial resolution in the acquired AFM images. Time-dependent mass loss experiments revealed that the applied agents (NaF or EDTA) had very different resulting effects. Despite the fact that the two treatments exhibited nearly identical results following examination by AFM, bulk bone samples treated with EDTA exhibited a ∼70% mass loss after 72 h, whereas for the NaF-treated samples, the mass loss was only of the order of ∼10%. These results support those obtained from previous mechanical testing experiments, suggesting that enhanced formation of superficial fluoroapatite dramatically weakens the protein-hydroxyapatite interfaces. Additionally, we discovered that treatment with aqueous solutions of NaF resulted in the effective extraction of noncollagenous proteins from bone powder.

[Counting fetal movements in ambulatory prenatal care]. / Das Zählen der Kindsbewegungen in der ambulanten Schwangerenbetreuung.

96 healthy late pregnant women with singleton pregnancies counted the fetal movements beginning with the 34th week of pregnancy. The start for this daily counting was in the morning at 9 o'clock a.m. The method used is "count till ten" according to the so-called "Cardiff-system". An other group of 76 healthy late pregnant women started the counting in the evening at 5 o'clock p.m. The time necessary to collect 10 fetal movements is in the evening hours about 2-3 hours shorter than in the morning. The modified Cardiff-system with counting in the evening with start at 5 o'clock p.m. is recommended.

[Partial denervation of the bladder--last resort in the treatment of motor urge incontinence]. / Die partielle Denervierung der Harnblase--Ultima ratio in der Behandlung des motorischen Urge-Syndroms.

In 21 women suffering from a severe motoric urge syndrome have been operated on with partial denervation of the urinary bladder according to Ingelman-Sundberg. The procedure was performed in 18 women unilaterally and in 3 bilaterally. Because of combined urge-stress-incontinence in 3 cases the plastic repair of pelvic floor was performed additionally with the unilateral nerve resection. With 5 recurrencies there has been a success rate of 75%. Out of 5 recurrencies 3 patients have been operated on twice, in 2 of them successively. The method founded by Ingelman-Sundberg is recommended as a ultima ratio for patients suffering from severe motoric urge syndrome which does not respond to conservative treatment.

[Recurrent excessive dilatation of the efferent urinary tract in pregnancy. Case report]. / Rezidivierende exzessive Erweiterung der ableitenden Harnwege in graviditate. Fallbericht.

Case report on a patient with an extensive dilatation of renal pelvis and ureter during the first and the following two pregnancies. Operative drainage was performed of renal pelvis on both sides in the 24th and 28th week of the first pregnancy. The second pregnancy ended with spontaneous abortion in the 27th week of pregnancy. Percutaneous punction nephrostomy with successful course of the third pregnancy. Drainage of renal pelvis by punction nephrostomy is indicated in case of co-existence between dilatation of renal pelvis and severe illness and destruction renal parenchyma and of septic pyelonephritis in pregnancy. This procedure should also be done in case of a solitary kidney and excessive dilatation of the renal pelvis. An operative approach is recommended in renal abscess.

[Crohn's disease from the viewpoint of differential diagnosis by the gynecologist. Case report]. / Der Morbus Crohn aus differentialdiagnostischer Sicht des Gynäkologen. Kasuistik.

Typical morphological changes resulting from Crohn's disease, including hyperplasia of resident lymphatic tissue, abscesses, fistulae, adhesions, and diverticula, are described in this paper, with reference being made to a case history. The following demands are derived from the findings for gynaecological practice: 1. intestinal diagnosis for all unelucidated adnexal tumours; 2. cooperation with surgeons for surgery; 3. anal lesions should in any case be regarded as a reason to think of Crohn's disease; 4. Crohn's disease should be included into differential diagnosis, whenever pathological alterations are recordable from the intestines with no conspicuous findings from internal genitals on exploratory laparotomy.

[Problems of late formation of a radiation-induced vesico-vaginal fistula. Case report]. / Zur Problematik der radiogenen vesiko-vaginalen Spätfistel. Kasuistik.

Described in this paper is a large urinary fistula which developed 38 years after Wertheim's radical hysterectomy and percutaneous irradiation. The patient's condition was improved by supravesical urine discharge through anastomosis between ureter and sigma. Discussed are conditions required for adequate uretero-sigmoidostomy. Good therapeutic results may justify, in certain cases, uretero-sigma anastomosis, despite a history of irradiation and poor general condition.

[Left ventricular ejection time (LVET) in the course of pregnancy]. / Die linksventrikuläre Austreibungszeit (LVET) im Verlauf der Schwangerschaft.

In 101 normotensive healthy pregnant women, the left ventricular ejection time (LVET) was estimated. The examinations were performed in intervals of 14 days and 6 weeks after child-birth in left-side and in upright position. The LVET-values are closely frequency-related. Therefore the LVET-values were corrected with regression equations ascertained in 129 healthy non-pregnant women. The curve of the uncorrected LVET has a continuous shift downwards till to the end of pregnancy. However, after correction with the frequency the curve increases in the course of pregnancy till to the time of the 26th-30th week of pregnancy. After this time there is diminishing tendency. In orthostasis in upright position the curves have a similar shift but on a lower level. In the course of pregnancy the heart-frequency increases till to the 31st-35th week. After that it decreases slightly. It has to be assessed that the increase of the frequency-corrected LVET is related to the increasing loading with intravascular volume. On the other hand this increase can be the expression of the improved cardiac performance showing the adaptation to the increase charge of the cardiovascular system. The LVET is to be seen as a indirect destination value of the hearts contractility.

[External version from breech position to head presentation near term]. / Die äussere Wendung aus Beckenendlage in Schädellage in Terminnähe.

The external version of fetus from breech into a head presentation is one of the methods to avoid maternal and fetal risk by Cesarean section and by vaginal delivery. As a supposition, we see a technique which is undangerous for mother and fetus. Our procedure corresponds in many points with a practice, which is published by B. Westin. The sober patient is positioned head down on the side of fetus small parts. Then an intravenous infusion is given over 30 min with 2 micrograms fenoterol (Partusisten)/min. The version is performed in many single and little steps. It needs time, a soft hand and the readiness of the Cesarean section. In 104 of 242 patients with breech presentation there was the indication with fulfilled suppositions for such a version. The success-rate was nearly 50%. In no case there was a complication. The rate of Cesarean section past turning was clearly reduced in contrary to breach presentation. The fetal outcome was clearly better. The version of breach presentation is recommended.

[Subjective registration of fetal movements. Relation to typologic-psychologic markers in pregnant patients]. / Subjektives Registrieren der Kindsbewegungen. Abhängigkeit von typologisch-psychischen Merkmalen der Schwangeren.

The influence of psychic factors on the accuracy of counting of fetal movements (FM) by pregnant women is investigated. The typologic features extraversion/introversion, stability/lability and vegetative lability are the criterion of judgement. Introverted pregnant women note FM under the condition of extensive protection of external irritation more exactly than extraverted pregnant women. Under the influence of an external irritation by transcutaneous nerve stimulation (TNS) no differences are to be seen. Psychic stable pregnant women are not as much alterable by external irritations as unstable pregnant women. Psychic stable pregnant women count FM under the influence of TNS more exactly than psychic unstable pregnant women. Without the influence of TNS there is no difference between stable and instable pregnant women concerning perception of FM.

[Transcutaneous electrical nerve stimulation in the treatment of placental insufficiency. II. Results of treatment compared to special infusion treatment]. / Die transkutane elektrische Nervenstimulation zur Behandlung der Plazentainsuffizienz. II. Mitteilung: Ergebnisse der Behandlung im Vergleich mit einer speziellen Infusionsbehandlung.

Results of treatment of placental insufficiency by transcutaneous electric nerve stimulation (TNS) in 101 patients are demonstrated and compared with a treatment of a special infusion therapy. While TNS-therapy a significant rise of Fischer-Score was observed. In both groups the urinary estrogen excretion was increased.

[Effect of ethinyl estradiol sulfonate on the urethral epithelium after bilateral oophorectomy]. / Der Einfluss von Athinylöstradiolsulfonat auf das Epithel der Urethra nach bilateraler Oophorektomie.

The influence of ethinylestradiolsulfonate on the cytological image of the urethra was examined on 11 women who underwent the salpingo-oophorectomia bilateralis. The criterion of the proliferative effect was the Dynamic-Estrogenicity-Index (DEI). After a 6 to 8 weeks treatment at a dosage of one milligram weekly a DEI of 7,27 (+/- 0,74) was attainable. From this point of view we can also summarize a very good urethrotrophic effectiveness. Ethinylestradiolsulfonate is recommended for the treatment of affection on the urethra, especially of those in which an estrogen deficit is the genuine reason or a favoured factor by women after hysterectomia and salpingo-oophorectomia bilateralis for substitution with hormones.

[Effect of modified obstetrical neuroleptanalgesia on the duration of labor and uterine contractions]. / Der Einfluss einer modifizierten geburtshilflichen Neuroleptanalgesie auf Geburtsdauer und Wehentätigkeit.

The literature concerning the value of the "small neuroleptanalgesia" for obstetrical pain-relieve is in dispute. Our experiences are based on the single application of 0.05 mg Fentanyl and 2.5 mg Droperidol on the presupposition of a well--proportionate labour activity with a cervix dilatation of at least 2-4 cm. Sporadically we reinject Fentanyl once more or exceptionally Droperidol, too. Among 308 primigravidae and 189 multigravidae with continuously directed application of Oxytocine the duration of the delivery was shortened distinctly compared with the control group without "small neuroleptanalgesia" but with the same tocergic treatment. After the application of the "small neuroleptanalgesia" the labour--intensity is unchanged, exceptionally a very short lessening in the immediate phase after injection. The method is innocuous for the mother, for the fetus and for the new-born. It is effective and practicable under all circumstances. The method of the "small neuroleptanalgesia" is recommended.

[Decrease in premature birth rate through consequent application of diagnostic and therapeutic standards in pregnancy monitoring]. / Senkung der Frühgeburtenrate durch konsequente Anwendung von Diagnostik- und Therapiestandards in der Schwangerenbetreuung.

All pregnant women living in the district of Suhl have been observed in our prenatal outpatient department. All gave birth in our department for obstetrics and gynaecology. This observation is made on the base of a standard. From 1981-1987 there were 5,657 pregnant women with singleton pregnancies. In this time the rate of premature birth was on an average of 4.7%. But, over the time there was a slope from 7.3 to 2.8%. Consecutively there was a decrease of 50% in perinatal mortality. The successful standards for observation of pregnant women used in our department have been discussed.

[Pregnancy monitoring with the Westin gravidogram. I: Value of the cervix score in the diagnosis of premature labor]. / Schwangerenbetreuung mit dem Gravidogramm nach Westin. I. Mitteilung: Die Wertigkeit des Zervixscores in der Frühgeburtsdiagnostik.

The outpatient department for pregnant women at the district hospital, womens department of Suhl/GDR uses the so-called "gravidogram" according to Westin. To assess the predictive value of the cervix score (modus Westin) all patients had been examined vaginally on the occasion of each consultation. In 969 singleton-pregnancies the rate of premature deliveries was 6.5% and so within the limits of international statistics. There was a remarkable tendency to newborns weighting more than 2000 g and a duration of pregnancy longer than 35 weeks. The shift involves more chances of a undisturbed development of the newborns. Repeated assessment of the cervix score in the course of pregnancy is recommended.

[Transcutaneous electric nerve stimulation in the treatment of placental insufficiency. 1. Methodologic principle and set of instruments]. / Die transkutane elektrische Nervenstimulation zur Behandlung der Plazentainsuffizienz. 1. Mitteilung: Methodenprinzip und Gerätekombination.

Presentation of a set of generators for the transcutaneous electric nerve stimulation serving the treatment of placental insufficiency. First experiences confirm the proper practibility of the method in the variant of our generator set.

Covalent alteration of the prosthetic heme of human hemoglobin by BrCCl3. Cross-linking of heme to cysteine residue 93.

Recent studies have shown that a protein-bound heme adduct formed from the reaction of BrCCl3 with myoglobin was due to bonding of the proximal histidine residue through the ring I vinyl of a heme-CCl2 moiety. The present study reveals that BrCCl3 also reacts with the heme of reduced human hemoglobin to form two protein-bound heme adducts. Edman degradation and mass spectrometry provided evidence that these protein-bound heme adducts were addition products in which heme-CCL2 or heme-CCl3 were bound to cysteine residue 93 of the beta-chain of hemoglobin. It appeared that the cysteine residue was bonded regiospecifically to the ring I vinyl group of the altered heme moiety, because the nonprotein-bound products of the reaction included the beta-carboxyvinyl and alpha-hydroxy-beta-trichloromethylethyl derivatives of the ring I vinyl moiety of heme. The absorption spectra of the protein-bound adducts in both the oxidized and reduced states were highly similar to those described for hemichromes, which are thought to be involved in the formation of Heinz bodies and subsequent red cell lysis.