Crystal structure, Hirshfeld surface and frontier mol-ecular orbital analysis of 10-benzyl-9-(4-hydroxy-3-meth-oxy-phen-yl)-3,3,6,6-tetra-methyl-3,4,6,7,9,10-hexa-hydro-acridine-1,8(2H,5H)-dione.

In the fused ring system of the title mol-ecule, C31H35NO4, the conformation of the central di-hydro-pyridine ring is inter-mediate between boat and envelope with the N and the opposite C atoms lying out of the basal plane. The conformations of terminal rings are close to envelope, with the atoms substituted by two methyl groups as the flaps. In the crystal, the mol-ecules are linked by O-H⋯O hydrogen bonds into helical chains. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (63.2%), O⋯H/H⋯O (20.1%) and C⋯H/H⋯C (14.4%) contacts. Quantum chemical calculations of the frontier mol-ecular orbitals were carried out to characterize the chemical reactivity of the title compound.

Multiple Targets Directed Multiple Ligands: An In Silico and In Vitro Approach to Evaluating the Effect of Triphala on Angiogenesis.

Angiogenesis is critical in both physiological and pathological conditions and targeting angiogenesis is a promising strategy for the development of therapies against cancer; however, cells develop resistance to anti-angiogenic therapy, necessitating a more effective strategy. Natural medicines have been used in anti-cancer therapy for many years, but the mechanisms behind these have not generally been explored. Triphala churna (THL), an Indian ayurvedic herbal formulation made from the dried fruits of three medicinal plants, is used as a herbal drug for the treatment of various diseases, including cancer. THL contains over fifteen phytochemicals with different pharmacological effects, especially inhibition of tumor progression. In this study, we examined the effect of these compounds against different targets using docking and in vitro studies. Results showed that THL has a prediction efficacy of (-436.7), and it inhibited angiogenesis by blocking multiple components of the VEGF/VEGFR2 signaling pathway. The anti-angiogenic effect was mediated by the combined effect of the two top ranked phytochemicals, punicalagin (-424.8) and chebulagic acid (-414.8). The new approach developed in this study to determine the potential efficacy of herbal formulation could be a useful strategy to assess the efficacy of different herbal formulations.

An experimental setup to study delayed electron emission upon photoexcitation of trapped polyatomic anions.

A Velocity Map Imaging (VMI) spectrometer has been designed and integrated with an electrostatic ion beam trap to study delayed electron emission from trapped polyatomic anions upon photodetachment. The VMI spectrometer is small in size and can record a wide range of photoelectron energies, with variable magnification. Delayed electron emission can be recorded in our experimental setup for any time duration after the photoexcitation of the polyatomic anions. Experiments were carried out with trapped O- and C5- ions to demonstrate the capability of the spectrometer. Delayed electron emissions from C5- as well as prompt photoelectrons from O- were detected by the VMI spectrometer upon photoexcitation. The design and performance of the spectrometer are presented in detail.

Prevalence of burnout and its correlates among residents in a tertiary medical center in Kerala, India: A cross-sectional study.

BACKGROUND AND RATIONALE: Residents work in emotionally demanding environments with multiple stressors. The risk for burnout is high in them and it has significant negative consequences for their career. Burnout is also associated with consequences in terms of physical and mental health including insomnia, cardiovascular disease, depression and suicidal ideation. Thus, the study aimed to study the prevalence of burn out and its correlates among interns and residents at Government Medical College, Thiruvananthapuram, Kerala, India. SETTINGS AND DESIGN: Cross Sectional Study at Government Medical College, Thiruvananthapuram, Kerala, India. METHODS: It was a cross Sectional study of 558 interns and residents of Government Medical College, Thiruvananthapuram, Kerala, India. Data was collected which included the Copenhagen Burnout Inventory [CBI]which assesses burnout in the dimensions of Personal burnout, Work burnout and Patient related burnout, with a cut off score of 50 for each dimension. Age, sex, year of study, department the resident belonged to, or an intern, junior resident or a super speciality senior resident (resident doing super speciality course after their post graduate masters degree) were the correlates assessed. STATISTICAL ANALYSIS: Univariate analysis. RESULTS: More than one third of the participants were found to have burnout in one or another dimension of the CBI. Burnout was found to be the highest among the interns in the domains of personal burnout (64.05 %) and patient related burnout (68.62 %) and in junior residents for work related burnout (40%). Super specialty senior residents had the least prevalence of burnout in all three dimensions. Among the residents, Non Medical/Non Surgical residents had the least prevalence of burnout in all three dimensions, whereas surgical speciality residents had the highest of personal burnout (57.92 %) and Medical speciality residents had the highest patient related burnout (27.13%). Both medical and surgical specialty residents had equal prevalence of work burnout. The study also showed that as the number of years of residency increased, the burnout also increased in all three dimensions. A between gender difference in burnout was not noticed in our study. CONCLUSIONS: Burnout was found to be present in a large number of residents in our study. Nationwide studies and assessment of more correlates will be needed to understand this phenomenon and also for formulating measures for preventing and managing it.

Enhancing the photoluminescence of 1-(naphthalene-1-yl)-2,4,5-triphenyl-1H-imidazole anchored to superparamagnetic nanoparticles.

Synthesis and characterization of 1-(naphthalene-1-yl)-2,4,5-triphenyl-1H-imidazole has been carried out by spectral studies. The synthesized phosphated imidazole and phosphated imidazole bound magnetic nanoparticles were characterized using fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and powder X-ray diffraction (XRD). The photophysical characteristics of the synthesized phosphated imidazole and phosphated imidazole bound magnetic nanoparticles were investigated by steady-state absorption and emission spectra as well as time resolved fluorometry. The intensities of absorption and emission maxima increase in the following order, phosphated imidazole bound Fe2O3>phosphated imidazole>imidazole.

Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method.

In this work, we reported the vibrational spectra of tranexamic acid (TA) by experimental and quantum chemical calculation. The solid phase FT-Raman and FT-IR spectra of the title compound were recorded in the region 4000 cm(-1) to 100 cm(-1) and 4000 cm(-1) to 400 cm(-1) respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of TA in the ground state have been calculated by using density functional theory (DFT) B3LYP method with standard 6-31G(d,p) basis set. The scaled theoretical wavenumber showed very good agreement with the experimental values. The vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the σ(*) and π(*) antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. The electrostatic potential mapped onto an isodensity surface has been obtained. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase.

Paraphenylene diamine poisoning.

The commonest constituent of all hair dyes is paraphenylene diamine (PPD) being used by the people to color their hair all over the world. Hair dye poisoning is emerging as one of the emerging causes of intentional self-poisoning to commit suicide. In this article, the importance of clinical manifestations and of hair dye poisoning is discussed due to the lack of specific diagnostic tests. Since there is no specific antidote for PPD poisoning, the early supportive treatment modalities are discussed.

Nonsteroidal anti-inflammatory drugs misleading the diagnosis of periapical abscess.

Periapical abscesses are common but may rarely be a subclinical infection in dental clinics. If an infection progresses rapidly or slowly as a tooth ache of chronic periodontitis with clinical features misleading the diagnosis, the dentists are able to recognize the salient signs and identify the patients at risk. This article reviews a case of a rare innocuous periapical abscess presenting as angioedema of upper lip with history of consuming nonsteroidal anti-inflammatory drugs such as diclofenac sodium whenever needed for arthralgia on a short-term basis.

Paraphenylene diamine poisoning.

The commonest constituent of all hair dyes is paraphenylene diamine (PPD). Hair dye poisoning is emerging as one of the emerging causes of intentional self-poisoning to commit suicide. In this article, we report a case of PPD poisoning and the importance of clinical of hair dye poisoning. The lack of specific diagnostic tests, a specific antidote for paraphenylene diamine poisoning and the importance of early supportive treatment modalities are also discussed.

Serological study of rickettsial diseases in human and rodent population in Chittoor dist. (A.P.).

In India the presence of Rickettsial disease in human is documented in many states however, the data on presence of Rickettsial infection in Andhra Pradesh is very scare. Therefore, a study was undertaken in Chittoor district (A.P.) to see the prevalence of Rickettsial infection in human and rodent population. 3-5 ml of human blood samples were collected from the patients attending the nearest hospitals of Tirumala, Tirupathi, Palmner and Chittoor areas. Live rodents were trapped and blood samples were collected from them during January and February 2008. Sera was separated and tested by Weil Felix test. Two hundred human sera samples were tested. Of these 39 samples were found reactive with Weil Felix antigen. Of the 39 reactive, 31 were male and 8 female. All the human samples were showing reactivity at 1:20 dilution. Out of the 343 rodents samples tested, only 24 samples were showing reactivity. These were reactive at 1:20, 1:40 and 1:80 dilutions with different types of Weil Felix antigens. Eight rodent sera samples were having titer 1:80 with Proteus OXK which is suggestive of presence of Scrub typhus in this region.