Multiphysics modelling, quantum chemistry and risk analysis for corrosion inhibitor design and lifetime prediction.

Organic corrosion inhibitors can provide an effective means to extend the life of equipment in aggressive environments, decrease the environmental, economic, health and safety risks associated with corrosion failures and enable the use of low cost steels in place of corrosion resistant alloys. To guide the construction of advanced models for the design and optimization of the chemical composition of organic inhibitors, and to develop predictive tools for inhibitor performance as a function of alloy and environment, a multiphysics model has been constructed following Staehle's principles of "domains and microprocesses". The multiphysics framework provides a way for science-based modelling of the various phenomena that impact inhibitor efficiency, including chemical thermodynamics and speciation, oil/water partitioning, effect of the inhibitor on multiphase flow, surface adsorption and self-assembled monolayer formation, and the effect of the inhibitor on cathodic and anodic reaction pathways. The fundamental tools required to solve the resulting modelling from a first-principles perspective are also described. Quantification of uncertainty is significant to the development of lifetime prediction models, due to their application for risk management. We therefore also discuss how uncertainty analysis can be coupled with the first-principles approach laid out in this paper.

An In Vitro Study on Effect of Ceramic Thickness and Multiple Firings on Colour of Metal Ceramic Restorations.

Preparation of porcelain restorations that match the natural dentition has been a subject of great concern for many years. An understanding of the process by which the colour and translucency of fixed restorations are planned and obtained so as to replicate the colour of its adjacent teeth is important for achieving an esthetic restoration. This study was done to study the effect of fabrication procedures such as ceramic thickness and number of firing cycles on the colour of metal ceramic restorations. Metal ceramic samples with three different ceramic thicknesses; 0.5, 1 and 1.5 mm (N = 30, n = 10 per group) were fabricated. A3 shade of [VMK 95, VITA Zahnfabrik, Bad Sackingen, Germany] ceramic was used for the fabrication of samples. Samples were subject to multiple firing cycles and colour was measured after 2nd, 3rd, 4th, 6th, 8th and 10th firing cycle. Colour measurement was done objectively using spectrolino (Gretag Macbeth Inc., Germany) spectrophotometer. 'Repeated measures ANOVA' test was used for doing statistical analysis. No significant change was noticed in any of the four colour parameters between the baseline reading after second firing uptil the tenth firing for any of the three groups with different ceramic thicknesses. There was a consistent rise in L* or lightness of colour as the thickness of ceramic increased. Between group I and group III there was a consistent shift of a* axis towards the blue green side and there was a consistent shift in b* axis towards purple-blue with an increase in ceramic thickness. It was observed that there was a change in ΔE with a change in ceramic thickness. There was a change of about two units between group I and group II and a change of about one unit between group II and group III. Change in ΔE between group I and group III was the most significant, being about three units. It was concluded from the study that multiple firing cycles during fabrication of metal ceramic restorations do not have any effect on colour while colour varies with change in ceramic thickness.

Mutant U2AF1-induced alternative splicing of H2afy (macroH2A1) regulates B-lymphopoiesis in mice.

Somatic mutations in spliceosome genes are found in ∼50% of patients with myelodysplastic syndromes (MDS), a myeloid malignancy associated with low blood counts. Expression of the mutant splicing factor U2AF1(S34F) alters hematopoiesis and mRNA splicing in mice. Our understanding of the functionally relevant alternatively spliced target genes that cause hematopoietic phenotypes in vivo remains incomplete. Here, we demonstrate that reduced expression of H2afy1.1, an alternatively spliced isoform of the histone H2A variant gene H2afy, is responsible for reduced B cells in U2AF1(S34F) mice. Deletion of H2afy or expression of U2AF1(S34F) reduces expression of Ebf1 (early B cell factor 1), a key transcription factor for B cell development, and mechanistically, H2AFY is enriched at the EBF1 promoter. Induced expression of H2AFY1.1 in U2AF1(S34F) cells rescues reduced EBF1 expression and B cells numbers in vivo. Collectively, our data implicate alternative splicing of H2AFY as a contributor to lymphopenia induced by U2AF1(S34F) in mice and MDS.

Plasma metagenomic sequencing to detect and quantify bacterial DNA in ICU patients suspected of sepsis: A proof-of-principle study.

BACKGROUND: Timely recognition of sepsis and identification of pathogens can improve outcomes in critical care patients but microbial cultures have low accuracy and long turnaround times. In this proof-of-principle study, we describe metagenomic sequencing and analysis of nonhuman DNA in plasma. We hypothesized that quantitative analysis of bacterial DNA (bDNA) levels in plasma can enable detection and monitoring of pathogens. METHODS: We enrolled 30 patients suspected of sepsis in the surgical trauma intensive care unit and collected plasma samples at the time of diagnostic workup for sepsis (baseline), and 7 days and 14 days later. We performed metagenomic sequencing of plasma DNA and used computational classification of sequencing reads to detect and quantify total and pathogen-specific bDNA fraction. To improve assay sensitivity, we developed an enrichment method for bDNA based on size selection for shorter fragment lengths. Differences in bDNA fractions between samples were evaluated using t test and linear mixed-effects model, following log transformation. RESULTS: We analyzed 72 plasma samples from 30 patients. Twenty-seven samples (37.5%) were collected at the time of infection. Median total bDNA fraction was 1.6 times higher in these samples compared with samples with no infection (0.011% and 0.0068%, respectively, p < 0.001). In 17 patients who had active infection at enrollment and at least one follow-up sample collected, total bDNA fractions were higher at baseline compared with the next sample (p < 0.001). Following enrichment, bDNA fractions increased in paired samples by a mean of 16.9-fold. Of 17 samples collected at the time when bacterial pathogens were identified, we detected pathogen-specific DNA in 13 plasma samples (76.5%). CONCLUSION: Bacterial DNA levels in plasma are elevated in critically ill patients with active infection. Pathogen-specific DNA is detectable in plasma, particularly after enrichment using selection for shorter fragments. Serial changes in bDNA levels may be informative of treatment response. LEVEL OF EVIDENCE: Epidemiologic/Prognostic, Level V.

Continued root-end growth and apexification using a calcium hydroxide and iodoform paste (Metapex®): three case reports.

AIM: The aim of these case reports is to present a treatment to promote root-end growth and apexification in nonvital immature permanent teeth in children. METHODS AND MATERIALS: Three cases were presented where the calcium hydroxide and iodoform paste Metapex® was placed in the root canals of immature permanent teeth using disposable plastic tips. The teeth involved were evaluated radiographically at regular intervals for the first 12 months after placement of the paste. At the end of 12 months all the cases showed continued root growth and apical closure (apexification) with no evidence of periapical pathology. Conventional endodontic treatment was then performed. RESULTS: In all three of the clinical cases presented, a combination of calcium hydroxide and iodoform paste (Metapex®) was used and showed promising results in inducing root-end growth and closure after 12 months. CONCLUSION: In these three clinical cases, the calcium hydroxide and iodoform paste Metapex® (Meta Biomed Co. Ltd., South Korea) was found to induce apical closure when assessed radiographically. Over a period of 12 months all the cases showed continued root growth. CLINICAL SIGNIFICANCE: The calcium hydroxide and iodoform paste Metapex® promoted continued root-end growth with apexification in the nonvital immature permanent teeth treated.

A general approach for detecting expressed mutations in AML cells using single cell RNA-sequencing.

Virtually all tumors are genetically heterogeneous, containing mutationally-defined subclonal cell populations that often have distinct phenotypes. Single-cell RNA-sequencing has revealed that a variety of tumors are also transcriptionally heterogeneous, but the relationship between expression heterogeneity and subclonal architecture is unclear. Here, we address this question in the context of Acute Myeloid Leukemia (AML) by integrating whole genome sequencing with single-cell RNA-sequencing (using the 10x Genomics Chromium Single Cell 5' Gene Expression workflow). Applying this approach to five cryopreserved AML samples, we identify hundreds to thousands of cells containing tumor-specific mutations in each case, and use the results to distinguish AML cells (including normal-karyotype AML cells) from normal cells, identify expression signatures associated with subclonal mutations, and find cell surface markers that could be used to purify subclones for further study. This integrative approach for connecting genotype to phenotype is broadly applicable to any sample that is phenotypically and genetically heterogeneous.

Efficacy of doramectin against natural and experimental infections of Lernaea cyprinacea in carps.

Efficacy of doramectin administered via oral and parenteral routes against experimentally induced and natural infections of the copepod parasite Lernaea cyprinacea in carps was studied. Administration of doramectin incorporated in feed at 1mg/kg b.wt. of fish for 10 days effectively controlled experimentally induced Lernaea infection in Labeo fimbriatus fingerlings within an average of 19 days of post-treatment as compared to the normal course of 41 days. Similarly, doramectin given through feed at 1mg/kgb.wt. of fish for 10 days was equally effective in controlling natural infection of this parasite in the underyearlings of Catla catla and L. fimbriatus. Intramuscular administration of doramectin at 200microg/kgb.wt. of fish effectively removed adult Lernaea infection in L. fimbriatus as early as 18 days of treatment as compared to the time period of 43 days taken by the untreated fish to get rid of the infection. Single intramuscular administration of the drug was more effective against the parasite than its administration in multiple divided doses. In all cases, doramectin did not cause any noticeable adverse reactions or toxicity to the fish host. In view of the handling associated stress and other operational difficulties involved, a single intramuscular administration of the drug at 200microg/kgb.wt. is suggested for treatment of heavily infected adults and brood stock of carps. Doramectin incorporated in feed at 1mg/kgb.wt. of fish is best suited for treatment of Lernaea infection in young fish including fingerlings. However, detailed studies on the toxicity and pharmacokinetics of doramectin upon its administration to aquatic organisms and the environmental impact of its usage are required to be undertaken before finally recommending the safe use of this drug for control of parasitic infections of aquatic organisms.

Clinical Profile and Outcome of Posterior Reversible Encephalopathy Syndrome in Hemodialysis Patients.

Posterior reversible encephalopathy syndrome (PRES) is a clinico-radiologic entity characterized by headache, altered level of consciousness, seizures, visual disturbances, and reversible vasogenic subcortical edema. Hypertension and renal failure are well known principal risk factors for the development of PRES. However, risk factors and outcome of PRES has not been studied in patients on maintenance hemodialysis (MHD). The objective of this study is to characterize the factors predisposing to the development of PRES in patients on MHD. We performed a retrospective analysis in patients of MHD who were diagnosed with PRES between August 1, 2013, and July 31, 2015. Those with a history of cerebrovascular accidents/stroke, and epilepsy were excluded. We analyzed the clinical details, course, and laboratory data. One year follow-up data were noted in recurrence of PRES and mortality. A total of 18 patients were included for the final analysis. Of these, 13 (72%) patients were males. Majority of these patients were young and mean age was 21.1 years (6-50 years). Most of the PRES episodes developed shortly after initiation of MHD with mean duration of 2 months after initiation of MHD (1 month-3 years). All 18 patients had resistant hypertension. Eight (45%) patients had infection at the time of PRES episodes. Four patients had catheter-related bloodstream infection, 1 had pneumonia and 3 patients were recently diagnosed with pulmonary tuberculosis. Four (22%) patients developed recurrence of PRES and all these episodes developed within 2 months of index event. Seven (39%) patients underwent renal transplantation, and all received triple immune suppression and had uncontrolled hypertension in the perioperative period. However, none of these patients developed PRES after transplantation. All these patients had been maintaining stable graft function in the follow-up. All episodes of PRES were of generalized tonic-clonic seizure type and 6 of them presented as status epilepticus. None of them had any neurological sequel and no mortality at the end of 1 year. PRES is not uncommon in patients on MHD. Uncontrolled hypertension and infection are common predisposing factors. Renal transplantation is safe and not adversely affected by prior episodes of PRES in MHD.

Lernaea cyprinacea infection in a new host Puntius pulchellus in intensive culture system and its control by doramectin.

The present study explored the susceptibility of Puntius pulchellus subadults to Lernaea cyprinacea infection subsequent upon their first introduction to an intensive culture system that had a previous history of Lernaea infection and evaluated the efficacy of doramectin against the parasite. All the P. pulchellus introduced to the culture pond got infected demonstrating 100 % susceptibility of this species to Lernaea infection. Pathological changes caused by the parasite as evidenced by the extensive hemorrhage and tissue necrosis of the host at the point of parasite attachment was most severe in P. pulchellus. On the contrary, among the fish species already present in the pond and were previously exposed to the infection before the start of the present study, only Labeo fimbriatus developed mild to moderate infection. Cirrhinus mrigala, Ctenopharyngodon idella and Cyprinus carpio from the same culture pond did not develop Lernaea infection. Doramectin administration at 1 mg/kg b.wt. of fish incorporated in feed and given orally for 10 days or by a single intramuscular injection at 200 µg/kg b.wt. was found to be effective in controlling L. cyprinacea adult parasite infection in P. pulchellus. Doramectin hastened healing of the wounds caused by L. cyprinacea and did not cause any noticeable adverse reactions or toxicity to the fish host during the present study. In conclusion, P. pulchellus was observed to be highly susceptible to L. cyprinacea upon its first exposure to the infective stages of the parasite and a single intramuscular injection of doramectin at 200 µg/kg b.wt. was more effective than oral administration of the drug in controlling L. cyprinacea infection.

Micronutrient Composition of 35 Food Fishes from India and Their Significance in Human Nutrition.

The micronutrients (vitamins and minerals) are required in small amounts but are essential for health, development, and growth. Micronutrient deficiencies, which affect over two billion people around the globe, are the leading cause of many ailments including mental retardation, preventable blindness, and death during childbirth. Fish is an important dietary source of micronutrients and plays important role in human nutrition. In the present investigation, micronutrient composition of 35 food fishes (includes both finfishes and shellfishes) was investigated from varying aquatic habitats. Macrominerals (Na, K, Ca, Mg) and trace elements (Fe, Cu, Zn, Mn, Se) were determined by either atomic absorption spectroscopy (AAS) or inductively coupled plasma mass spectrometry (ICP-MS)/atomic emission spectrometry (ICP-AES). Phosphorus content was determined either spectrophotometrically or by ICP-AES. Fat-soluble vitamins (A, D, E, K) were analyzed by high-performance liquid chromatography (HPLC). The analysis showed that, in general, the marine fishes were rich in sodium and potassium; small indigenous fishes (SIFs) in calcium, iron, and manganese; coldwater fishes in selenium; and the brackishwater fishes in phosphorous. The marine fishes Sardinella longiceps and Epinephelus spp. and the SIFs were rich in all fat-soluble vitamins. All these recommendations were made according to the potential contribution (daily value %) of the species to the recommended daily allowance (RDA). Information on the micronutrients generated would enhance the utility of fish in both community and clinical nutrition.

DHA and EPA Content and Fatty Acid Profile of 39 Food Fishes from India.

Docosahexaenoic acid (DHA) is the principal constituent of a variety of cells especially the brain neurons and retinal cells and plays important role in fetal brain development, development of motor skills, and visual acuity in infants, lipid metabolism, and cognitive support and along with eicosapentaenoic acid (EPA) it plays important role in preventing atherosclerosis, dementia, rheumatoid arthritis, Alzheimer's disease, and so forth. Being an essential nutrient, it is to be obtained through diet and therefore searching for affordable sources of these ω-3 polyunsaturated fatty acids (PUFA) is important for consumer guidance and dietary counseling. Fish is an important source of PUFA and has unique advantage that there are many food fish species available and consumers have a wide choice owing to availability and affordability. The Indian subcontinent harbors a rich fish biodiversity which markedly varies in their nutrient composition. Here we report the DHA and EPA content and fatty acid profile of 39 important food fishes (including finfishes, shellfishes, and edible molluscs from both marine water and freshwater) from India. The study showed that fishes Tenualosa ilisha, Sardinella longiceps, Nemipterus japonicus, and Anabas testudineus are rich sources of DHA and EPA. Promotion of these species as DHA rich species would enhance their utility in public health nutrition.

Post-OKT3 induction therapy CD complex response predicts renal allograft rejection.

CD complex response to cessation of induction with OKT3 may be predictive of rejection. Twenty-seven patients receiving renal allografts and OKT3 induction immunosuppression were retrospectively analyzed for CD complex repopulation and allograft rejection. Flow cytometric monitoring was utilized in all patients. Responder status groups were identified based on CD complex repopulation, with fast responders demonstrating CD complex repopulation above the determined cohort mean. Slow responders had repopulation below this mean. Student's t test yielded P<0.01 (CD2), P<0.02 (CD3), and P<0.01 (CD8). Nonresponder patients were identified with repopulation below the mean, but flat compared with depletion. All nine fast responders lost their graft or were treated for rejection. No slow responder experienced graft loss or rejection episodes. One nonresponder was treated for rejection. CD complex activity following OKT3 cessation correlates with future rejection. Identification of responder status provides insight into propensity to reject, allowing individual tailoring of immunosuppression to patient response.

A pilot study of twin dialyzers in parallel to enhance delivered KT/V.

BACKGROUND: Adequacy of delivered dialysis is important in preventing morbidity in patients on hemodialysis for end-stage renal disease. A satisfactory KT/V is often difficult to obtain in patients with a large body mass despite optimization of remediable factors. AIM: This pilot study was performed to examine the hypothesis that twin dialyzers in parallel enhance delivered KT/V. METHODS: Three compliant patients on maintenance hemodialysis with post-dialysis weights greater than 95 kg who had a KT/V between 1.0 and 1.3 despite optimization of duration of dialysis, blood flow rates and anticoagulation and absence of access recirculation were studied using twin dialyzers in parallel after in vitro experiments demonstrated the safety of this technique. After a run-in period lasting over six months, during which the technique was perfected, three study treatments with twin dialyzers were compared to three treatments before and three treatments after study treatments. Both study and control treatments were performed under identical, rigidly standardized conditions. There was a wash-out period before the control and the study treatments. KT/V was calculated using the post-dialysis blood urea nitrogen (BUN) obtained by the stop-flow technique. RESULTS: KT/V was higher with twin dialyzers in parallel than with single dialyzers (mean +/- SD 1.54 +/- 0.32 for twin dialyzers vs 1.33 +/- 0.11 for single dialyzers) despite the lack of significant differences in potentially confounding variables. CONCLUSIONS: Using twin dialyzers in parallel appears to enhance delivered KT/V and is a safe and potentially useful technique especially in patients with a large body mass.

Synthesis of new arylaminoquinoxalines and their antimalarial activity in mice.

2-Arylaminoquinoxalines were prepared by the condensation of 2-chloroquinoxaline with the appropriate Mannich bases in the presence of HCl. To synthesize the Mannich bases, 4-acetamidophenol was reacted with formaldehyde and dialkylamine to yield 3-[(dialkylamino) methyl]-4-hydroxyacetanilide, followed by hydrolysis. Antimalarial activities of the new arylaminoquinoxalines were evaluated against the rodent malaria parasite Plasmodium yoelii at a dose of 75 mg kg(-1). Three compounds synthesized (2-[3-[(diethylamino) methyl]-4-hydroxyanilino]-quinoxaline dihydrochloride (2b), 2-[3-[(pyrrolidinyl) methyl]-4-hydroxyanilino]-quinoxaline dihydrochloride (2f), and 2-[3-[(piperidinyl) methyl]-4-hydroxyanilino]-quinoxaline dihydrochloride (2g)) showed moderate antimalarial activity.

In vitro pharmacological investigations of Sapindus trifoliatus in various migraine targets.

Phytotherapies have offered alternative sources of therapy for migraine and gained much importance in prophylactic treatment. The aqueous extract of pericarp of fruits of Sapindus trifoliatus Linn (ST), family Sapindaceae was evaluated for its affinity for 5-HT(1B/1D) receptors in rabbit saphenous vein, alpha-adrenoceptors in rabbit aorta, GABA receptors in guinea pig ileum, 5-HT(2B) receptors in rat fundus and vanilloid receptors in guinea pig trachea. The calcium blocking effect was studied in rabbit aorta while the modulatory role of ST on platelet serotonin release was evaluated in human platelets. The aqueous extract of Sapindus trifoliatus exhibited significant 5-HT(2B) receptor inhibition and moderate platelet serotonin release inhibition.

Synthesis and preliminary pharmacological investigations of 1-(1,2-dihydro-2-acenaphthylenyl)piperazine derivatives as potential atypical antipsychotic agents in mice.

In research towards the development of new atypical antipsychotic agents, one strategy is that the dopaminergic system can be modulated through manipulation of the serotonergic system. The synthesis and preliminary pharmacological evaluation of a series of potential atypical antipsychotic agents based on the structure of 1-(1,2-dihydro-2-acenaphthylenyl)piperazine (7) is described. Compound 7e, 5-{2-[4-(1,2-dihydro-2-acenaphthylenyl)piperazinyl]ethyl}-2,3-dihy dro-1H- indol-2-one, from this series showed significant affinities at the 5-HT1A and 5-HT2A receptors and moderate affinity at the D2 receptor. 7e exhibits a high reversal of catalepsy induced by haloperidol indicating its atypical antipsychotic nature.

5-HT3 receptors in selective animal models of cognition.

Role of 5-HT3 receptors in cholinergic hypofunctional models of cognitive impairment in the elevated plus maze model and a passive avoidance model is studied. Cognitive impairment was caused by scopolamine (1 mg/kg, ip) in mice and 5-HT3 ligands mCPBG (1 and 5 mg/kg, ip) and ondansetron (0.5 and 5 mg/kg, ip) were administered before the pre-learning phase to study the effects on acquisition, while post-learning administration was used to determine the effects on consolidation. Ondansetron improved acquisition and retention in cholinergic hypofunctional models while mCPBG potentiated selected impaired cognitive indices. The results indicate the role of 5-HT3 receptors in cognition and that an ideal evaluation of 5-HT3 ligands in cognition should distinguish true cognitive effects from locomotor, motivational and emotional effects.

A Clinical and Radiographic Evaluation of Periodontal Regenerative Potential of PerioGlas®: A Synthetic, Resorbable Material in Treating Periodontal Infrabony Defects.

BACKGROUND: Study of the clinical application of bioactive glass in treating periodontal defects has been gaining momentum. Studies in the past have hypothesized that bioactive glass resulted in an improvement of bony lesion when compared with open flap debridement. Considering that there were very few studies in the Indian dental literature involving the analysis of PerioGlas®- A particulate Bioglass in intrabony defects, the present clinical trial aimed to clinically and radiographically evaluate the efficacy of PerioGlas® and compare it to open debridement as control in the treatment of human periodontal osseous (three and two wall) defects in South Indian population. MATERIALS AND METHODS: Ten patients with chronic periodontitis within the age group of 30-45 years having at least two pockets with depth of ≥6 mm exhibiting vertical osseous defects were selected for the study. A total of 20 defect sites were randomly assigned to one of the two treatment modalities such that 10 sites (experimental) received PerioGlas® material after open flap debridement and 10 sites with open flap debridement (controls). Plaque index and gingival index (GI) were recorded at baseline, 6 weeks, 3 months, 6 months and 9 months, whereas probing pocket depth (PPD), clinical attachment level and gingival recession (GR) were recorded at baseline, 6 and 9 months postoperatively. Linear radiographic measurements were carried out at baseline, 6 and 9 months to evaluate the defect fill, defect resolution and change in the alveolar crest height (ACH). RESULTS: Both experimental and control site showed a significant reduction in plaque and GI, and a slight increase in GR. The mean reduction in PPD for experimental and control site was 4.4 ± 0.34 mm and 3.2 ± 0.1 mm, respectively. Gain in clinical attachment at experimental and control site was 4.4 ± 0.21 and 3.4 ± 0.11, respectively which on comparison was statistically non-significant for both sites. The radiographic mean defect fill for experimental site was 1.73 mm. The mean defect resolution was 46.5% and 15.3% for the experimental group and control group, respectively, with a slight increase in the ACH at the experimental site. CONCLUSION: Comparison of experimental and control sites revealed a statistically significant improvement in both clinical and radiographic parameters, but experimental sites showed better results when compared with control. How to cite the article: Chacko NL, Abraham S, Rao HN, Sridhar N, Moon N, Barde DH. A clinical and radiographic evaluation of periodontal regenerative potential of PerioGlas®: A synthetic, resorbable material in treating periodontal infrabony defects. J Int Oral Health 2014;6(3):20-6.