Fully ab initio atomization energy of benzene via W2 theory

The total atomization energy at absolute zero, (TAE$_0$) of benzene, C$_6$H$_6$, was computed fully {\em ab initio} by means of W2h theory as 1306.6 kcal/mol, to be compared with the experimentally derived value 1305.7+/-0.7 kcal/mol. The computed result includes contributions from inner-shell correlation (7.1 kcal/mol), scalar relativistic effects (-1.0 kcal/mol), atomic spin-orbit splitting (-0.5 kcal/mol), and the anharmonic zero-point vibrational energy (62.1 kcal/mol). The largest-scale calculations involved are CCSD/cc-pV5Z and CCSD(T)/cc-pVQZ; basis set extrapolations account for 6.3 kcal/mol of the final result. Performance of more approximate methods has been analyzed. Our results suggest that, even for systems the size of benzene, chemically accurate molecular atomization energies can be obtained from fully first-principles calculations, without resorting to corrections or parameters derived from experiment.Comment: J. Chem. Phys., accepted. RevTeX, 12 page

Study on non-verbal communication knowledge among doctors of non-clinical and para clinical departments of Government Vellore medical college hospital, Vellore, Tamil Nadu, India

Background: Many Studies and Research Articles in our medical field focuses on Verbal Communication component. The Non-Verbal Component has been neglected in many circumstances. But Medical science endorses that Non-Verbal component plays a major role in the communication process in all set ups whether it is in the classrooms, Examination Hall, Outpatient Room or Wards or Intensive Care Units. The objective of this study is to access the knowledge and Awareness of NVC Component among Doctors of Non-Clinical and Para Clinical Departments of GVMCH - Vellore, Tamil Nadu, India.Methods: This Cross-Sectional Study was conducted among 45 Doctors across 7 Departments of Government Medical College Vellore. Mean, Median, Mode and Standard Deviation were used for quantitative Data and Pearson Chi Square Test and Logistic regression was used for qualitative Data using Trial Version of SPSS 22.Results: The mean Score was 7.2±2.8 with Mean scoring percentile of 28.8 ±11.5. There was Pearson’s Chi Square significance for Variables like External Resources related to NVC, Books related to NVC, UG and PG pursued at, Exposure to Workshops or CME s related to NVC, and age Group 35 years.Conclusions: Variables like External resources, UG studied at same state, Age Group >35 years Showed Statistical significance in knowledge on Non-Verbal communication in this Study set up

Value of Surgery and Nonsurgical Approaches for Cervical Spondylotic Myelopathy: WFNS Spine Committee Recommendations

OBJECTIVE: Cervical spondylotic myelopathy (CSM) has become a prevalent cause of spinal cord dysfunction among the aging population worldwide. Although great strides have been made in spine surgery in past decades, the optimal timing and surgical strategy to treat CSM have remained controversial. In this article the authors aimed to analyze the current trends in studies of CSM and to summarize the recent advances of surgical techniques in its treatment. METHODS: The PubMed database was searched using the keywords pertaining to CSM in human studies that were published between 1975 and 2018. Analyses of both the bibliometrics and contents, including the types of papers, authors, affiliations and countries, number of patients, and the surgical approaches were conducted. A systematic review of the literature was also performed with emphasis on the diagnosis and treatment of mild CSM. RESULTS: A total of 1008 papers published during the span of 44 years were analyzed. These CSM studies mainly focused on the natural history, diagnosis, and treatment, and only a few prospective randomized trials were reported. For the authors and affiliations, there was a shift of clustering of papers toward Asian countries in the past decades. Regarding the treatment for CSM, there was an exponential growth of surgical series published, and there was a trend toward slightly more anterior than posterior approaches through the past decade. Patients with CSM had increased risks of neurological deterioration or spinal cord injury with nonoperative management. Because surgery might reduce the risks, and early surgery was likely to be correlated with better outcomes, there was a trend toward attention to mildly symptomatic CSM. CONCLUSIONS: There is emerging enthusiasm for research on CSM worldwide, with more publications originating in Asian countries over the past few decades. The surgical management of CSM is evolving continuously toward early and anterior approaches. More prospective investigations on the optimal timing and choices of surgery are therefore needed.info:eu-repo/semantics/publishedVersio

Subaxial Cervical Spine Injuries: WFNS Spine Committee Recommendations

To formulate specific guidelines for the recommendation of subaxial cervical spine injuries concerning classification, management, posttraumatic locked facets and vertebral artery injury. Computerized literature was searched on PubMed and google scholar database from 2009 to 2020. For classification, keywords "Sub Axial Cervical Spine Classification," resulting in 22 articles related to subaxial cervical spine injury classification system (SLICS) system and 11 articles related to AO (Arbeitsgemeinschaft für Osteosynthesefragen, German for "Association for the Study of Internal Fixation") Spine system. The literature search yielded 210 and 78 articles on "management of subaxial cervical spine injuries" and the role of "SLICS" and "AO Spine" respectively. Keywords "management of traumatic facet locks" were searched and closed reduction, traction, approaches and techniques were studied. "Vertebral artery injury and cervical fracture" exhibited 2,328 references from the last 15 years. The objective was to identify the appropriate diagnostic tests and optimal treatment. Up-to-date information was reviewed, and statements were produced to reach a consensus in 2 separate consensus meetings of World Federation of Neurosurgical Societies (WFNS) Spine Committee. The statements were voted and reached a positive or negative consensus using Delphi method. Based on the most relevant literature, panelists in Moscow consensus meeting conducted in May 2019 drafted the statements, and after a preliminary voting session, the consensus was identified on various statements. Another meeting was conducted at Peshawar in November 2019, where in addition to previous statements, few other statements were discussed and voted. Specific recommendations were then formulated guiding classification, management, locked facets and vertebral artery injuries. This review summarizes the WFNS Spine Committee recommendations on subaxial cervical spine injuries.info:eu-repo/semantics/publishedVersio

Antinociceptive effect of methanolic extract of Murraya koenigii leaves in swiss albino mice

Background: The objective of the study was to evaluate anti-nociceptive effect of methanolic extract of Murraya koenigii leaves on thermal and mechanical pain in swiss albino mice.Methods: Thirty adult male swiss albino mice weighing 25-30 grams were selected and allocated in to five groups. Each group consists of six animals. The control group received vehicle (10 ml/kg), standard group received morphine (10 mg/kg) and test groups received dried methanolic extract of Murraya koenigii leaves (100 mg/kg, 200 mg/kg, 400 mg/kg per oral respectively) 1 hour before placing the animal over the hot plate at temperature of 55⁰C . A cut off period of 10 sec was observed to avoid damage of the paw. The response in the form of withdrawal of paws or licking of the paws. The delay in the reaction time denotes analgesic activity. The latency was recorded before and after 15, 30, 60, 120 minutes administration of drug. After washout period of 1 month the same group of animals were utilized to evaluate the analgesic effect by tail clip method for better comparison.Results: All the doses of Murraya koenigii leaves significantly delayed reaction time in hot plate method and tail clip method. The results were comparable to that produced by standard drug morphine.Conclusions: Murraya koenigii leaves has analgesic activity which was comparable to morphine

Characterization Studies of Medicinal Plants & I’ts Biological Evaluation Towards Anti-Bacterial Study

The traditional system of medicine proves to be one of the best sources for treating illness and infections. Murraya koenigii (curry leaves) and Asparagus racemosus (shatavari) are the two medicinal plant species that have numerous medicinal properties like antimicrobial, anticancer, anti-inflammatory, etc. In this study, the Ultrasound extraction and the Soxhlet mode of extraction were carried out using two different solvents such as Hexane and Ethyl acetate. Analysis and Retention factor were was carried out thin layer chromatography. The purification was performed using column chromatographic method and the various phytoconstituents such as tannins, terpenoids, carbohydrates, proteins, steroids, flavonoids, phlobatannins were analysed for the extracted samples. Retention factors have been calculated for both the extracted samples and the samples were further processed for sterility test in order to check for any contamination. The extracted samples were characterized using GC-MS analysis. The anti-bacterial evaluation was performed. The highest zone of inhibition found in 1000µg/ml concentration for Pseudomonas aeruginosa and 500µg/ml concentration for Staphylococcus aureus. The minimum inhibitory concentration for Pseudomonas aeruginosa is predicted as 250µg/ml concentration and for Staphylococcus aureus as 500µg/ml concentration. The rate of kill was higher in 500µg/ml concentration for both bacterial samples. The crystal violet assay was performed and observed the cell viability. Further the In-silico analysis was performed towards the GC analysis compounds and their structure activity relationship were studied towards the protein

Serum based screening and molecular detection of brucellosis in ruminants

22-25Brucellosis is a highly infectious bacterial disease that mainly affects cattle, sheep, pigs, goats, dogs, horses and wild animals primarily caused by Brucella abortus, B. ovis, B. suis, B. melitensis, and B. canis. It has a significant threat to the livestock and human community mainly in developing countries and requires accurate diagnosis, characterization and management. This study was undertaken in 238 samples (112 serum samples from the sheep, 82 serum samples from the goat and 44 serum samples from the cattle) suspected of brucellosis collected from the southern districts of Tamil Nadu. All the 238 samples were screened for the brucellosis by carrying out rose bengal plate agglutination test (RBPT). The seropositive serum samples were further subjected to Brucella cell surface salt extractable protein 31 (BCSP 31) gene-based PCR for Brucella genus confirmation. The BCSP 31-PCR positive samples were further subjected to Brucella-AMOS (avis-melitensis-ovis-suis) multiplex PCR for identification of B. abortus, B. ovis, B. melitensis and B. suis species. The study revealed that 8.92% (n = 10) serum samples from sheep, 9.75% (n = 8) serum samples from goat and 6.81% (n = 3) serum samples from cattle were seropositive for brucellosis by RBPT. All the twenty one seropositive samples produced specific amplicon of 223 bp by BCSP 31-PCR confirms brucellosis. Further molecular typing of BCSP 31-PCR positive samples by Brucella –AMOS  PCR revealed specific amplicon of 498 bp indicating the involvement of B. abortus in 19 serum (10 from sheep, 6 from goat and 3 from cattle) samples. One serum sample from goat revealed specific amplicons of 498 bp and 731 bp indicating the involvement of both B. abortus and B. meletensis. Another serum sample from goat yielded specific amplicons of 498 bp, 731 bp and 285 bp suggesting the mixed infection of B. abortus, B. meletensis and B. suis, respectively. The B. abortus is the common species involved in cattle, sheep and goat infections. Two caprine samples showed mixed infection which involves B. abortus, B. meletensis and B. suis species. The study concludes that the serum can be used as an alternate specimen for the fast and reliable molecular diagnosis of brucellosis