Molecular structure and vibrational spectroscopic studies of prothionamide by density functional theory.

Prothionamide (PTH) is the secondary drug used against Mycobacterium tuberculosis bacteria and leprosy. The aim of this work was to investigate the potential energy surface map, anharmonic and harmonic vibrational spectra, NBO analysis and ELF (Electron Localization Function) of the title compound using DFT approach with the B3LYP (Becke, three-parameter, Lee-Yang-Parr) exchange-correlation functional with the 6-31G++(d,p) and the Z3POLX basis sets were employed. In the experimental part of this study, FT-Mid IR, FT-Far IR and FT-Raman spectra of the molecule were recorded in the regions 4000-450cm(-1), 700-30cm(-1) and 4000-100cm(-1) respectively in the solid phase. The comparison between calculated and experimental vibrational spectra (infrared and Raman spectra) and assignments of fundamental vibrational modes were characterized by total energy distribution (TED). Theoretical spectra were seen to be in good agreement with those of the experimental ones.

Comparing vibrational spectra of free bumetanide and its solutions.

Bumetanide, which is known as a potent diuretic, is currently under investigation for its potential anti-epileptic effects in neonatal seizures. The purpose of this study was to examine the molecular structure of bumetanide both in the free form and its solutions via vibrational spectra (FT-IR, FT-Raman spectroscopies) and quantum chemical calculations. FT-IR and FT-Raman spectra of the title compound were recorded for the solid phase and the solutions of DMSO and ethanol. Optimized molecular geometry and vibrational wavenumbers of bumetanide were calculated by DFT/B3LYP functional with 6-31G(d,p), 6-31G++(d,p) and 6-311++G(d,p) basis sets. The assignment of the vibrational modes were performed based on total energy distribution (TED). The same calculations were performed for the molecule in DMSO and ethanol solutions using the polarizable conductor continuum model (CPCM) method. Lastly, probable donor-acceptor interactions of the molecule were examined with NBO analysis in different media. In all forms of bumetanide (the free molecule and the other solvents), some significant changes were observed in the dihedral angles and the vibrational frequencies.

Micro-Raman, mid-IR, far-IR and DFT studies on 2-[4-(4-fluorobenzamido)phenyl]benzothiazole.

Molecular structure of 2-[4-(4-Fluorobenzamido)phenyl]benzothiazole was determined by quantum chemical calculations. MidIR and FarIR spectra were recorded at room temperature, with 4 cm(-1) resolution in the 4000-400 cm(-1) and 700-30 cm(-1) regions, respectively for the first time. Raman spectrum was recorded in the 4000-100 cm(-1) range. Optimized molecular structure and vibrational wavenumbers of the compound in its ground state have been calculated by using Density Functional Theory using B3LYP functional with 6-311++G(d,p) basis set. Vibrational wavenumbers were seen to be in good agreement with the experimental IR data. Furthermore, assignments of each vibrational mode were interpreted in terms of potential energy distributions in detail.

Micro-Raman, FTIR, SEM-EDX and structural analysis of the Çanakkale meteorite.

This study demonstrates for the first time, the spectroscopic characterization of Çanakkale Meteorite that fell at Çanakkale, Republic of Turkey (40°8'44″N; 26°24'23″E). The olivine group [(Mg, Fe)(2)SiO(4)], enstatite [Mg(2)Si(2)O(6)] (one of the orthopyroxene minerals) and plagioclase were identified by the micro-Raman and FTIR spectroscopies and EDX-SEM analyses. This meteorite has not yet been classified in the World's Database of Meteorites. The aim of this study is to investigate this meteorite by vibrational spectroscopic techniques and open the possibility to classify it and list in the World's Database of Meteorites.

The effect of the tarsal joint positions on the tibial nerve motor action potential latency in dog: electrophysiological and anatomical studies.

This study has been carried out to determine the effect of neutral position, hyperextension and hyperflexion of the tarsal joint on the tibial nerve, motor action potential latency and tarsal canal compartment pressure in dogs with the aid of electrophysiological and anatomical methods. Totally twenty healthy mongrel dogs were used. Latency of motor nerve action potential (MNAPL) studies of tibial nerve via surface stimulating and needle recording electrodes was performed on right hind limbs of all the dogs. The compartment pressures of the tarsal canal with the pressure transducer were determined from both limbs from ten of the dogs. In one dog, tarsal regions of both left and right limbs were demonstrated using magnetic resonance imaging (MRI). Two dogs were euthanatized and tarsal regions of the dogs were sectioned for correlative anatomy. Nerve conduction studies showed that the MNAP latency of the tibial nerve were 3.55 +/- 0.097 ms, 3.76 +/- 0.087 ms and 3.39 +/- 0.097 ms in neutral, hyperextension and hyperflexion positions, respectively. Hyperflexion of the tarsal joint caused prolongation of the MNAP latency of the tibial nerve with the highest pressure value being determined in tarsal canal. From the anatomical viewpoint, the distance between the flexor hallucis longus muscle and the superficial digital muscle was the shortest during hyperflexion and the plantar branch of saphenous artery, lateral and medial plantar nerves located more laterally in cadaver and MR imaging sections. As a result of this study, it is thought that tarsal region diseases as well as long time splint in the hyperflexion position as applied in the Ehmer sling can affect the compartment pressure and nerve tension because of occupying in the tarsal canal. Raising pressure and nerve stretching in the tarsal canal compartment could cause deficiencies in the conduction velocity of the tibial nerve. This might be a result of tarsal tunnel syndrome in the dog. Clinicians could consider this syndrome in cases of tarsal region diseases as well as application of long time splint in hyperflexion of tarsal joints in dogs.

The application of an electrophysiological bulbocavernosus reflex test in male dogs.

The electrophysiological bulbocavernosus reflex test consists of recording the electromyographic activity of the bulbocavernosus muscle following electrical stimulation of the glans penis. This study has been carried out to show the applicability of the electrophysiologic bulbocavernosus reflex (EBCR) in dogs and to determine its normal latency value. Ten healthy male dogs were used. Responses to stimulation of the bulbus glandis were recorded from the left bulbocavernosus muscle with a concentric needle-recording electrode. In 10 dogs of maximum size 31 kg and maximum age 3 years, EBCR had response latencies between 17.6 and 28.8 ms with the mean value of 24.4 ms. The results of this study show that the electrophysiological bulbocavernosus reflex test could be employed as a routine diagnostic method in small animal clinics for evaluation of the sacral reflex arc. Among several advantages are easy applicability and the objective result, with the latency exceeding 29 ms not being seen in the dogs used in our study.

Partial seizure: an unusual cause of recurrent vomiting.

Partial seizure is a rare cause of nausea and vomiting. We report an adult patient with abdominal discomfort lasting 15 years accompanied by nausea and vomiting at least twice a week. On admission, physical examination and detailed laboratory tests were normal. Abdominal ultrasound examination, upper gastrointestinal endoscopy and CT scanning of the brain did not reveal any evidence of disease. Electroencephalography revealed bilateral synchronous sharp wave discharges and spike wave activities. The diagnosis of partial seizure was considered and the patient was administered sodium valproate. The patient's symptoms subsided and he has been asymptomatic for the past 20 months. We conclude that partial seizure should be considered in patients suffering from abdominal complaints who do not have any underlying gastrointestinal disorder.

Repeated hypoglycemia and cognitive decline. A case report.

OBJECTIVE: Diabetes mellitus has a high incidence in general population and goes by high morbidity by specific micro vascular pathology in the retina, renal glomerul and peripheral nerves. In type 1 DM, intensive therapy can prevent or delay the development of long-term complications associated with DM but hypoglycaemia especially severe hypoglycaemia defined, as a low blood glucose resulting in stupor, seizure, or unconsciousness that precludes self-treatment is a serious threat. Hypoglycaemia that may preferentially harm neurons in the medial temporal region, specifically the hippocampus, is a potential danger for the brain cognitive function which several studies failed to detect any significant effects, whereas others indicated an influence on it. A young diabetic case presented here with severe cognitive defect. Great number of severe hypoglycaemic or hyperglycaemic attacks and convulsion episodes were described in his medical history. RESULTS AND CONCLUSION: Neuroradiologic findings on CT and MRI, pointed that global cerebral atrophy that is incompatible with his age. Brain perfusion studies (SPECT, (99m)Tc-labeled HMPAO) also showed that there were severe perfusion defects at superior temporal region and less perfusion defects at gyrus cingulum in frontal region. These regions are related with memory processing. Severe cognitive defect in this patient seems to be closely related these changes and no another reason was found to explain except the repeated severe hypoglycaemic episodes.

Open pilot study on oxcarbazepine for the treatment of notalgia paresthetica.

Notalgia paresthetica is a sensory neuropathy typically presenting with pruritus on the back. There is currently no effective treatment for this disorder. We describe a single patient who responded to oxcarbazepine, and a subsequent trial in another 4 who also responded. Although the number of patients in our study is small, we believe further trials are warranted to determine the efficacy of oxcarbazepine in this disorder.

The management of carpal tunnel syndrome in pregnancy.

OBJECTIVES: To determine the prevalence of carpal tunnel syndrome (CTS) after delivery and its relationship to individual factors. STUDY DESIGN: A cohort of 46 pregnant women, aged 15-48 years, who had suffered from CTS during pregnancy and who had delivered at Aydin Maternity Hospital, Turkey was selected. They had been followed up through pregnancy and 12 months postpartum and filled out a questionnaire. The data were analysed statistically. RESULTS: Follow up showed that CTS at 6 and 12 months post partum was reported by 10.9% and 4.3% of the women, respectively. The difference in prevalence of CTS between young women and older women was statistically significant (P= 0.005). The history of diabetes mellitus and infant birth weight were similar in the two groups. However, patient weight gain during pregnancy increased the risk of CTS (P= 0.000). On the other hand, there was no difference in the number of previous pregnancies between women with CTS and without CTS during pregnancy (P= 0.210). Furthermore, affected and unaffected groups required Caesarean section in nine and 248 patients during pregnancy, respectively. CONCLUSION: These results indicate that, in most pregnant patients with CTS, the symptoms are present in both hands and are first noted during the third trimester. The majority of patients with CTS obtain spontaneous relief in the immediate postpartum period.

Notalgia paresthetica: a study on pathogenesis.

BACKGROUND: Notalgia paresthetica is a sensory neuropathy involving the dorsal spinal nerves. The characteristic symptom is pruritus on the back, occasionally accompanied by pain, paresthesia, and/or hyperesthesia, which results in a well-circumscribed hyperpigmented patch in the symptomatic area. The etiology of this condition has not yet been completely defined. OBJECTIVE: Possible mechanisms that could explain the pathogenesis of notalgia paresthetica were investigated through clinical examination and various diagnostic tests. METHODS: Ten cases of notalgia paresthetica underwent dermatologic, neurologic, and orthopedic examination. This was followed by skin biopsy, electrodiagnostic investigation, and radiography of the spine. RESULTS: All patients had a typical symptomatology and dermatologic picture. Neurologic examination and standard electrodiagnostic investigation results were normal in all cases. Histopathology was compatible with postinflammatory hyperpigmentation; there were no amyloid deposits. In seven cases, degenerative changes in the vertebrae were observed and, in all of these cases, these changes were most prominent in the vertebrae which corresponded to the dermatome of the cutaneous lesion. CONCLUSIONS: The striking correlation of notalgia paresthetica localization with degenerative changes in the spine suggests that spinal nerve impingement may contribute to the pathogenesis of this entity.

Ulnar to median nerve anastomosis in the palm (Riches-Cannieu anastomosis).

This report describes an unusual case of pure bilateral ulnar innervation of the thenar and hypothenar muscles of the hands. The patient was a healthy 36-year-old woman who presented with neck pain. Examination and routine laboratory investigation findings were normal, but on electroneuromyography ulnar to median nerve anastomosis of the motor fibers in the palm was detected bilaterally. However, there was no anastomosis between the sensory fibers. On investigation of focal neuropathy the anomaly known as Riches-Cannieu anastomosis may surprise the electroneuromyographer and change the clinical signs and symptoms. It should be suspected when the hand muscles are clinically intact in the presence of a severe median nerve lesion in the forearm. In this case, a complete lesion of the median nerve at the forearm might erroneously be interpreted as a partial lesion of the median nerve. In every surgical intervention to the hand, this anomaly should be kept in mind and should be investigated electrophysiologically.

Chemical sympathectomy in the relief of persistent sympathetic pain after carpal tunnel release. A case report.

Although carpal tunnel syndrome (CTS) is a common entrapment neuropathy, reflex sympathetic dystrophy is an extremely rare and devastating complication. In this report, a case of chemical sympathectomy in a patient who had undergone previous three surgical interventions elsewhere for unilateral CTS, with persistent sympathetic pain.