Optimization of water reuse and modelling by saline composition with nanoparticles based on machine learning architectures.

Water is a necessary resource that enables the existence of all life forms, including humans. Freshwater usage has become increasingly necessary in recent years. Facilities for treating seawater are less dependable and effective. Deep learning methods have the ability to improve salt particle analysis in saltwater's accuracy and efficiency, which will enhance the performance of water treatment plants. This research proposes a novel technique in optimization of water reuse with nanoparticle analysis based on machine learning architecture. Here, the optimization of water reuse is carried out based on nanoparticle solar cell for saline water treatment and the saline composition has been analyzed using a gradient discriminant random field. Experimental analysis is carried out in terms of specificity, computational cost, kappa coefficient, training accuracy, and mean average precision for various tunnelling electron microscope (TEM) image datasets. The bright-field TEM (BF-TEM) dataset attained a specificity of 75%, kappa coefficient of 44%, training accuracy of 81%, and mean average precision of 61%, whereas the annular dark-field scanning TEM (ADF-STEM) dataset produced specificity of 79%, kappa coefficient of 49%, training accuracy of 85%, and mean average precision of 66% as compared with the existing artificial neural network (ANN) approach.

Designing, validation and feasibility of a yoga-based intervention for elderly.

CONTEXT: Ageing is an unavoidable facet of life. Yogic practices have been reported to promote healthy aging. Previous studies have used either yoga therapy interventions derived from a particular school of yoga or have tested specific yogic practices like meditation. AIMS: This study reports the development, validation and feasibility of a yoga-based intervention for elderly with or without mild cognitive impairment. SETTINGS AND DESIGN: The study was conducted at the Advanced Centre for Yoga, National Institute for Mental Health and Neurosciences, Bangalore. The module was developed, validated, and then pilot-tested on volunteers. MATERIALS AND METHODS: The first part of the study consisted of designing of a yoga module based on traditional and contemporary yogic literature. This yoga module along with the three case vignettes of elderly with cognitive impairment were sent to 10 yoga experts to help develop the intended yoga-based intervention. In the second part, the feasibility of the developed yoga-based intervention was tested. RESULTS: Experts (n=10) opined the yoga-based intervention will be useful in improving cognition in elderly, but with some modifications. Frequent supervised yoga sessions, regular follow-ups, addition/deletion/modifications of yoga postures were some of the suggestions. Ten elderly consented and eight completed the pilot testing of the intervention. All of them were able to perform most of the Suksmavyayama, Pranayama and Nadanusandhana (meditation) technique without difficulty. Some of the participants (n=3) experienced difficulty in performing postures seated on the ground. Most of the older adults experienced difficulty in remembering and completing entire sequence of yoga-based intervention independently. CONCLUSIONS: The yoga based intervention is feasible in the elderly with cognitive impairment. Testing with a larger sample of older adults is warranted.

Randomized clinical trial of yoga-based intervention in residents from elderly homes: Effects on cognitive function.

CONTEXT: Elderly have increased risk for cognitive impairment and dementia. Yoga therapy may be helpful in elderly to improve cognitive function. AIMS: We examined the benefits of yoga-based intervention compared with waitlist control group on cognitive function in the residents of elderly homes. SETTINGS AND DESIGN: Single blind controlled study with block randomization of elderly homes. MATERIALS AND METHODS: Study sample included yoga group (n=62) and waitlist group (n=58). A total of 87 subjects (yoga=44, waitlist=43) completed the study period of 6 months. Yoga group received daily yoga sessions for 1 month, weekly until 3(rd) month and encouraged to continue unsupervised until 6 months. They were assessed on Rey's Auditory Verbal Learning Test (RAVLT), Rey's complex figure test (CFT), Wechsler's Memory Scale (WMS)-digit and spatial span, Controlled Oral Word Association (COWA) test, Stroop Color Word Interference Test and Trail Making Test A and B at baseline and at the end of 6(th) month. STATISTICAL ANALYSIS: Paired t-test and analysis of covariance (ANCOVA) to compare the difference in neuropsychological test scores. RESULTS: Yoga group showed significant improvement in immediate and delayed recall of verbal (RAVLT) and visual memory (CFT), attention and working memory (WMS-spatial span), verbal fluency (COWA), executive function (Stroop interference) and processing speed (Trail Making Test-A) than waitlist group at the end of 6 months after correcting for corresponding baseline score and education. CONCLUSION: Yoga based-intervention appears beneficial to improve several domains of cognitive function in elderly living in residential care homes. Study findings need to be interpreted after considering methodological limitations like lack of active comparison group.

Effects of yoga intervention on sleep and quality-of-life in elderly: A randomized controlled trial.

CONTEXT: Yoga as a life-style practice has demonstrated beneficial effects. The role of yoga in the elderly for such benefits merits investigation. AIMS: The aim of this study is to examine the effects of yoga intervention on quality-of-life (QOL) and sleep quality in the elderly living in old age homes. SETTINGS AND DESIGN: Single blind controlled study with block randomization of elderly homes. MATERIALS AND METHODS: A total of 120 subjects from nine elderly homes were randomized in to yoga group (n=62) and waitlist group (n=58). Subjects in the yoga group were given yoga intervention daily for 1 month and weekly until 3 months and were encouraged to practice yoga without supervision until for 6 months. Subjects in waitlist group received no intervention during this period. Subjects were evaluated with World Health Organization Quality of Life (WHOQOL)-BREF for measuring QOL and Pittsburgh Sleep Quality Index for sleep quality in the baseline and after 6 months. STATISTICAL ANALYSIS: Independent t-test and repeated measures analysis of covariance respectively was used to measure the difference in outcome measures between the two groups at baseline and after the study period. RESULTS: Subjects in the yoga group had significantly higher number of years of formal education. Subjects in the yoga group had significant improvement in all the domains of QOL and total sleep quality after controlling for the effect of baseline difference in education between the two groups. CONCLUSION: Yoga intervention appears to improve the QOL and sleep quality of elderly living in old age homes. There is a need for further studies overcoming the limitations in this study to confirm the benefits of yoga for elderly in QOL and sleep quality.

Feasibility and efficacy of yoga as an add-on intervention in attention deficit-hyperactivity disorder: An exploratory study.

CONTEXT: Attention deficit-hyperactivity disorder (ADHD) is one of the most common neurodevelopmental disorders. Stimulant medication is frequently used in management, with significant adverse effects. There is a growing interest in complementary treatments like yoga. AIMS: To study the effects of yoga as a complementary therapy in children with moderate to severe ADHD. SETTINGS AND DESIGN: The study was performed on children (consent was taken from parents) admitted in a child psychiatry unit using an open-label exploratory study. MATERIALS AND METHODS: Children between 5 and 16 years of age diagnosed with ADHD and co-operative for yoga were included. Subjects with other serious psychiatric and medical illnesses were excluded. The participants were given yoga training daily during their in-patient stay. They were rated on Conners' abbreviated rating scale - (CARS), ADHD-rating scale-IV (ADHD - RS IV) and clinical global impression (CGI)-Severity, at the beginning of study, at discharge and subsequently at the end of 1(st), 2(nd) and 3(rd) month by a research associate not involved in yoga instruction. Paired t-test was employed to compare the means of scores between baseline and follow-ups. RESULTS: A total of 9 children (8 males, 1 female) were recruited into the study. All, but one were on medications. An average of 8 yoga training sessions was given to subjects. They were able to learn yoga reasonably well. There was a significant improvement in the ADHD symptoms as assessed on CARS (P-0.014), ADHD-RS IV (P=0.021) and CGI- S scales (P=0.004) at the time of discharge.

Yoga increases the volume of the hippocampus in elderly subjects.

CONTEXT: The neurobiological effect of yoga on the cortical structures in the elderly is as yet unknown. MATERIALS AND METHODS: Seven healthy elderly subjects received yoga intervention as an add-on life-style practice. Magnetic resonance imaging scans were obtained before and 6 months later. Voxel-based-morphometric analyses compared the brains before and after the yoga. RESULTS: Yoga group was found to have increases in hippocampal, but not in occipital gray matter. CONCLUSION: Yoga has potential to reduce neuro-senescence. Small sample size and absence of the control group prevent generalization of the findings limiting its translational value.

A qualitative study on the needs of caregivers of inpatients with schizophrenia in India.

AIM: To explore the needs of caregivers of inpatients with schizophrenia in India. MATERIAL: Thirty caregivers of inpatients with schizophrenia participated in five focus group discussions (FGD), where the needs of the caregivers were discussed. The FGDs were recorded, transcribed and similar needs were grouped and ranked according to their order of importance. DISCUSSION: The main needs that emerged were regarding: managing the behaviour of patients; managing social-vocational problems of patients; health issues of caregivers; education about schizophrenia; rehabilitation; and managing sexual and marital problems of patients. CONCLUSION: This study has identified additional needs of caregivers from those found in other studies.

Docking analysis of a series of cytochrome P-450(14) alpha DM inhibiting azole antifungals.

Binding modes of a series of structurally diverse azole antifungals belonging to triazole and imidazole classes have been studied using molecular modeling techniques. The predictive model was derived from docking experiments. The analysis of the resulting model indicated that the N3 of imidazole and N4 of triazole rings are in coordinate bond forming distances with heme iron. The aromatic ring has been found to interact with Phe87, Tyr96, Val295, Val396 and Ile395 at the hydrophobic site of the cytochrome P-450cam. In addition, the hydrogen bonding interaction between an etherial oxygen of compounds 2, 5, 8, 9 and 12 and Tyr96 OH seem to have a significant role. Solvent accessible surface area calculations suggested that the active site of the cytochrome P-450cam is highly hydrophobic. The results are in consistent with the biological activity of these compounds. The proposed active orientation model of azole antifungals could be useful for the rational design of more potent inhibitors.

A proposed common spatial pharmacophore and the corresponding active conformations of some peptide leukotriene receptor antagonists.

Molecular modeling studies were carried out by a combined use of conformational analysis and 3D-QSAR methods of identify molecular features common to a series of hydroxyacetophenone (HAP) and non-hydroxyacetophenone (non-HAP) peptide leukotriene (pLT) receptor antagonists. In attempts to develop a ligand-binding model for the pLT receptor, the Apex-3D program was used to identify biophoric structural patterns that are common to 13 diverse sets of compounds showing different levels of biological activity. A systematic conformational analysis was carried out to obtain sterically accessible conformations for these flexible compounds. Apex-3D was then utilized to propose common biophoric regions based on the selection of one of several conformations (MOPAC-minimized AM1) from each compound's data set that best fits the biophoric pattern and the resulting superimposition with all the other data-set compounds. Apex-3D identified three common biophoric features important for activity: one as the hydroxyl, acetyl, carbonyl and carboxyl groups, which mimic the acid-binding region of an agonist, the other as the hydrogen-bond donating site, and the third part is represented by a plane in which lipophilic aromatic groups align. The structure-activity relationships were then assessed by using the 3D-QSAR model. A common biophore model is proposed from the Apex-3D analysis which may be useful in designing new pLT antagonists. Molecular volumes and electrostatic potential similarities were also calculated in order to obtain the important structural requirements for the activity.

A molecular dynamics study of the three-dimensional model of human synovial fluid phospholipase A2--transition state mimic complexes.

Different modes of binding of transition state mimics: amide, phosphonate and difluoro ketone, to human synovial fluid phospholipase A2 (HSF PLA2) are studies by molecular dynamics simulations computed in solvent. The results are analysed in the light of primary binding sites. Hydrogen bonding interaction plays an important role for amino acids such as Gly32, Val30, and Glu55, apart from the well known active site residues viz Asp48, Gly25, Gly29, Gly31, His27, His47, Lys62, Phe23, Asn114 and Tyr112. In addition, the hydrogen bonding interaction between Sn-1 tetrahedral phosphonate group of amide and difluoro ketone inhibitors and crystallographic water molecules (H2O 523, H2O 524 and H2O 401) seems to have a significant role. Many of the active site charged residues display considerable movement upon ligand binding. The structural effects of ligand binding were analyzed from RMS deviations of C alpha in the resulting energy-minimized average structures of the receptor-ligand complexes. The values of the RMS deviations differ among the HSF PLA2s, in a pattern that is not the same for the three complexes. This suggests that ligands with different pharmacological efficacies induce different types of conformational changes of the receptor. Our active-orientation model is, at least qualitatively, consistent with experimental data and should be useful for the rational design of more potent inhibitors.

Anti-inflammatory activity of substituted 1,3,4-oxadiazoles.

Various 5-[[(acetamidophen-4-yl)oxy]methyl]-2-(p-substituted phenylamino)-1,3,4-oxadiazoles (4a-4d) were synthesized by cyclization of the corresponding N1-[[(acetamidophen-4-yl)oxy]acetyl]- N4-(p-substituted phenylamino)-3-thiosemicarbazides (3a-3d). All four of the thiosemicarbazides [250 mg/kg, orally (p.o.)] and the corresponding oxadiazoles (250 mg, p.o.) possessed anti-inflammatory activity. In the Carrageenan-induced edema test in rat paw, the activity ranged from 28 to 47% for 3a-3d and 44 to 63% for 4a-4d, with indomethacin (10 mg/kg, p.o.), used as the standard reference drug, showing 88.5% protection. The compounds (1 mM) were also tested for the inhibition of bovine serum albumin denaturation, and this activity ranged from 27 to 68%. No correlation was seen between the anti-inflammatory activity of 3a-4d and the inhibition of denaturation of bovine serum albumin. The low toxicity of these compounds was reflected by their high approximate 50% lethal dose (LD50) values, ranging from 2000 to 2500 mg/kg.

Inhibition of albumin denaturation and anti-inflammatory activity of acetamido [(phenyl-4'-yl)-oxymethyl)]2-(p-substituted phenylamino)-1,2,4-triazoles and -1,3,4-thiadiazoles.

Acetamido [(phenyl-4'-yl)-oxymethyl)]-2-(p-substituted-phenylamino)-1,2,4-tr iazoles (4a-4d) and 1,3,4-thiadiazoles (5a-5d) inhibited the thermal denaturation of bovine serum albumin. As protein denaturation is implicated in inflammation, some compounds which showed good inhibition of denaturation were tested in vivo for anti-inflammatory activity by carrageenan induced edema in the rat paw. Although there was no complete correlation, compounds which showed good inhibition of denaturation also showed significant anti-inflammatory activity.

Synthesis and anti-inflammatory activity of fluorinated phenyl styryl ketones and N-phenyl-5-substituted aryl-3-p-(fluorophenyl) pyrazolins and pyrazoles.

Various N-phenyl-5-substituted aryl-3-p-(fluorophenyl) pyrazolins and pyrazoles were synthesized by cyclization of the corresponding 4-(fluorophenyl) styryl and 4-(fluorophenyl) dibromostyryl ketones. These compounds were characterized by elemental analysis and UV, infrared, and nuclear magnetic spectral data. All substituted p-(fluorophenyl) styryl ketones [250 mg/kg orally (po)] possessed anti-inflammatory activity, as reflected by their ability to provide protection (51-70%) against carrageenin-induced edema in rat paw. Indomethacin (10 mg/kg, po) and dehydrozingerone (70 mg/kg, po), used as standard reference drugs, provided 97 and 60% protection, respectively. All compounds (0.20 mM) showed ability to denature bovine serum albumin, as observed in in vitro inhibition studies. Inhibition ranged from 7 to 59% for substituted p-(fluorophenyl) styryl ketones and from 12 to 21% for pyrazoles. No correlation was found between the anti-inflammatory activity of p-(fluorophenyl) styryl ketones or substituted pyrazoles and their effectiveness at inhibiting bovine serum albumin denaturation. The low toxicity of p-(fluorophenyl) styryl ketones was reflected by the dose that was lethal in 50% of the cases tested (2000-2500 mg/kg).