Predicting mosquito repellents for clothing application from molecular fingerprint-based artificial neural network SAR models.

Spraying repellents on clothing limits toxicity and allergy problems that can occur when the repellents are directly applied to skin. This also allows the use of higher doses to ensure longer lasting effects. As the number of repellents available on the market is limited, it is necessary to propose new ones, especially by using in silico methods that reduce costs and time. In this context SAR models were built from a dataset of 2027 chemicals for which repellent activity on clothing was measured against Aedes aegypti. The interest of using either the ECFP or MACCS fingerprints as input neurons of a three-layer perceptron was evaluated. Transformation of MACCS bit strings into disjunctive tables led to interesting results. Models obtained with both types of fingerprints were compared to a model including physicochemical and topological descriptors.

In silico prediction of mosquito repellents for clothing application.

Use of protective clothing is a simple and efficient way to reduce the contacts with mosquitoes and consequently the probability of transmission of diseases spread by them. This mechanical barrier can be enhanced by the application of repellents. Unfortunately the number of available repellents is limited. As a result, there is a crucial need to find new active and safer molecules repelling mosquitoes. In this context, a structure-activity relationship (SAR) model was proposed for the design of repellents active on clothing. It was computed from a dataset of 2027 chemicals for which repellent activity on clothing was measured against Aedes aegypti. Molecules were described by means of 20 molecular descriptors encoding physicochemical properties, topological information and structural features. A three-layer perceptron was used as statistical tool. An accuracy of 87% was obtained for both the training and test sets. Most of the wrong predictions can be explained. Avenues for increasing the performances of the model have been proposed.

Contact photoallergy to isothipendyl chlorhydrate.

Isothipendyl chlorhydrate is an azaphenothiazine, an active ingredient of an antipruriginous gel, Apaisyl gel® (Merck Médication Familiale, Dijon, France). Although Apaisyl gel is registered and used worldwide, we present the first case of contact photoallergy to isothipendyl chlorhydrate to our knowledge. The diagnosis suspected on the basis of a positive UVA photopatch test to chlorpromazine was confirmed by a strongly positive UVA Apaisyl gel photopatch test and our photophysical studies. This case confirms the need to keep the phenothiazines in the photopatch test standard series as a diagnostic marker of phenothiazine photoallergy.

Molecular batteries: ferrocenylsilylation of dendrons, dendritic cores, and dendrimers: new convergent and divergent routes to ferrocenyl dendrimers with stable redox activity

The ferrocenylsilylation of the phenol triallyl dendron 2, of the phenol nonaallyl dendron 4, and of the 9-, 27-, 81-, and 243-allyl dendrimers 7-10 (monitored by the disappearance of the signals of the olefinic protons in 1H NMR spectra) has been achieved using ferrocenyldimethylsilane 1 and Karstedt's catalyst in diethyl ether at 40 degrees C, yielding the corresponding ferrocenyl dendrons and dendrimers. An alternative convergent synthesis of the nonaferrocenyl dendron 5 was carried out by reaction of the triferrocenyl dendron 2 with a protected triododendron followed by deprotection. Reaction of the nonaferrocenyl dendron 5 with hexakis(bromomethyl)benzene gave the 54-ferrocenyl dendron 6. All the ferrocenyl dendron and dendrimers produce a chemically and electrochemically reversible ferrocenyl oxidation wave at seemingly the same potential. Stable platinum electrodes modified with the high ferrocenyl dendrimers were fabricated. The soluble orange-red ferrocenyl dendrimers can also be oxidized in CH2Cl2 by [NO][PF6] to the insoluble deep blue polyferrocenium dendrimers. For instance, the 243-ferrocenium dendrimer has been characterized by its Mossbauer spectrum, which is of the same type as that of ferrocenium itself. The ferrocenium dendrimers can be reduced without any decomposition back to the ferrocenyl dendrimer, indicating that these multielectronic redoxstable dendrimers behave as molecular batteries.

Extragenital infection due to Mobiluncus mulieris. Case report and review.

Mobiluncus species are uncommonly isolated from nongenital sites. We report a case of abdominal abscess with associated Mobiluncus mulieris bacteremia and review the literature on extragenital infections due to Mobiluncus species.

[Intramuscular beta-interferon therapy of patients with genital HPV infection]. / Trattamento con beta-interferone per via intramuscolare in pazienti con patologia genitale da virus HPV.

From May 1990 to April 1992 we used intramuscular beta-interferon to treat 17 patients with CIN associated with HPV virus (9 cases CIN1 and 8 cases CIN2) and 10 patients with genital condylomas without CIN. The dosage employed was 3.000.000 IU/daily/7 days and every other day for a further 14 days. All patients were followed up at 1,3 and 6 months and some for longer. Complete cyto histological resolution of CIN was achieved in 58% of patients: however the HPV remain cytologically present in 64% of cases. The data presented are encouraging though they confirm that it is difficult to completely eradicated the genital HPV. In patients with genital condyloma the condition persisted in 66% of patients receiving only medical treatment, whereas in those treated with beta-interferon and dyatermocoagulation the recurrence rate was 28%.

Randomized clinical trial of short-term antibiotic prophylaxis in 750 patients undergoing vaginal and abdominal hysterectomy.

We have carried out a controlled, prospective, randomized study with the aim of evaluating the efficacy of a short-term antibiotic prophylaxis on patients undergoing simple total hysterectomy. 750 patients entered the trial, starting in September 1977, 260 underwent vaginal hysterectomy, 490 abdominal hysterectomy. The patients were subdivided randomly into four groups, which were homogeneous in number, age, weight, associated disease, indication for surgery and hormonal status: control group, without treatment; prophylaxis with Cefazolin; prophylaxis with Thiamphenicol; prophylaxis with Cefazolin plus Thiamphenicol. Each antibiotic was administered parenterally, at the dose of 1 g, 1 hour before surgery, and 5 and 12 hours later. Postoperative infectious morbidity was evaluated according to febrile morbidity, the need for antibiotic therapy during the postoperative period and the length of postoperative hospitalization. The incidence and severity of febrile morbidity was significantly reduced in the three groups of patients who received prophylaxis. The use of antibiotics in the postoperative period resulted significantly reduced and the period of hospitalization was shorter for the groups with prophylaxis than for the control group.

Short-term antibiotic prophylaxis of mixed infections during hysterectomy.

Surgical procedures on contaminated tissues, such as hysterectomy with opened vagina, are frequently followed by local or systemic infections. It seems that a prolonged antibiotic prophylaxis is not justified because of possible induction of resistant mutants or dysmicrobisms. The administration of antibiotics only in a short pre- and postsurgical period appears to be more rational. We have carried out a controlled clinical trial with the aim of evaluating the efficacy of this prophylactic practice. One hundred forty-five patients submitted to vaginal and two hundred seventy-five to abdominal hysterectomy entered this study (started September 1977). All patients received local nitrofurantoin treatment and were then subdivided into four randomized groups: control group, groups treated with thiamphenicol, cephazolin, thiamphenicol plus cephazolin, respectively. Each antibiotic was administered in the dose of 1 gm one hour before and five and 12 hours after surgery. Antibiotics were chosen taking into consideration the usual vaginal microbial flora, notoriously mixed (aerobic and anaerobic). The three treated groups presented a significant decrease in the incidence and severity of infectious complications. The use of antibiotics in the postoperative period resulted in significantly reduced morbidity in the treated groups. Thiamphenicol appears to be the most effective drug. Bacteriological studies showed that local treatment of the vagina decreased the bacteria charge, but never brought about sterilization.

Transplantation antigens in Crohn's disease: Linkage of associated ankylosing spondylitis with HL-Aw27.

The complete HL-A antigen profile was examined in 77 patients with Crohn's disease,11 of whom had unequivocal ankylosing spondylitis. There was no significant difference in the frequencies of the HL-A antigens between these 77 patients and 600 normal controls. 10 male patients with Crohn's disease possessed HL-Aw27; all of these had unequivocal ankylosing spondylitis. This antigen may, therefore, be a useful marker of spondylitis in Crohn's disease.