propnet: A Knowledge Graph for Materials Science

Discovering the ideal material for a new application involves determining its numerous properties, such as electronic, mechanical, or thermodynamic, to match those of its desired application. The rise of high-throughput computation has meant that large databases of material properties are now accessible to scientists. However, these databases contain far more information than might appear at first glance, since many relationships exist in the materials science literature to derive, or at least approximate, additional properties. propnet is a new computational framework designed to help scientists to automatically calculate additional information from their datasets. It does this by constructing a network graph of relationships between different materials properties and traversing this graph. Initially, propnet contains a catalog of over 100 property relationships but the hope is for this to expand significantly in the future, and contributions from the community are welcomed

Assessment of genetic and biochemical diversity of ecologically variant ectomycorrhizal Russula sp. from India

The aim of this study was to develop the phylogenetic relationship amongst the ecologically variant Russula species by using polymerase chain reaction (PCR) based technique, random amplified polymorphic DNA (RAPD) and isozyme analyses. Two groups could be characterized amongst the total isolates by cluster analyses. Protease, cellulase, glutamate dehydrogenase,  pectinase and acid phosphatase designated band P220.16, C472.18, GLD130.21, Pe569.12 and AP472.12, respectively, were common in all the isolates and four monomorphic RAPD bands viz; 818, 512, 298 and 201 bp were also diversified in the isolates. This common band reveals that diversity of these alleles or loci in all ecologically variant isolates. Thus, the present studies discuss the genetic diversity of ecologically variant Russula species on the basis of RAPD and isozyme analysis

In Vitro and In Vivo Evaluation of Diclofenac Sodium Gel Prepared with Cellulose Ether and Carbopol 934P

Purpose: To develop diclofenac sodium gel using high molecular weight hydroxypropyl methylcellulose (HPMC) and Carbopol 934P for topical and systemic delivery.Methods: Diclofenac sodium gel was prepared with HPMC K100M and Carbopol 934P as gelling agents. The formulations were examined for pH, spreadability, consistency, viscosity, homogeneity, drug content and stability. In vitro drug release was evaluated using Franz diffusion cell. Carrageenaninduced rat paw oedema model was used for the evaluation of the anti-inflammatory activity of the gels. A commercial diclofenac sodium gel product was used as the reference drug.Results: Formulations containing glycerin as permeation enhancer gave drug release patterns comparable to that of the reference product. The drug content of F2, F5 and F9 was 99.81, 99.75 and 99.96 %, respectively. Accelerated stability results showed no significant variation in the appearance and drug release after storage for 3 months.Conclusion: Diclofenac sodium gel containing HPMC K100M and Carbopol 934P exhibited pronounced anti-inflammatory activity and could be further developed for topical and systemic delivery..Keywords: Diclofenac sodium, Anti-inflammatory, Hydroxypropyl methylcellulose, Carbopol, Drug release, Glyceri

WOUND HEALING POTENTIAL OF METHANOLIC EXTRACT OF FLOWERS OF BUTEA MONOSPERMA LINN. IN DIABETIC ANIMALS

The main of our study is to evaluate the Wound Healing Potential of Methanolic Extract of Flowers of Butea monosperma Linn. in Diabetic Animals. Methanolic extract was prepared by continuous hot extraction method by soxhlet apparatus. Preliminary phytochemical screening showed the presence of flavonoids, phenolic compounds and some glycosides. Diabetes was induced by single injection of Alloxan monohydrate in Wistar albino rats and their blood glucose levels were measured. Excision wound model was used for creation of wound in diabetic animals and methanolic extract was administered in diabetic animals to observe its effect. Methanolic extract significantly lowered the blood glucose level and highly significantly showed wound contraction in diabetic animals. The preliminary phytochemical analysis of the Butea monosperma flower extract showed the presence of tannins, flavonoids and triterpenoids. As per previous literature survey, flavonoids are responsible for anti-diabetic and wound healing activity. So this wound healing effect of Butea monosperma may be due to presence of flavonoids in plant. Hence present research supports traditional claims of the plant in wound healing. Keywords: Butea monosperma, Diabetic animals, Alloxan monohydrate, Methanolic Extract, Wound Are

Effect of combination treatment of S–amlodipine with peroxisome proliferator-activated receptor agonists on metabolic and cardiovascular parameters in Zucker fa/fa rats

BACKGROUND: Type 2 diabetes is a complex metabolic disorder characterized by hyperglycemia, impaired glucose tolerance and insulin resistance associated with dyslipidemia and hypertension. The available drugs are not sufficiently efficacious in reducing cardiovascular risk and restoring normal glucose metabolism associated with type 2 diabetes as a mono- or a combination therapy. The present study examined the combined effects of an antihypertensive (S-Amlodipine) and an insulin-sensitizing agent, peroxisome proliferator-activated receptor (PPAR) agonists (Pioglitazone and Ragaglitazar), on cardiovascular risk factors in aged diabetic and insulin-resistant Zucker fa/fa rats. METHODS: Following combination treatment for 14 days, blood pressure (BP), serum glucose, total cholesterol and triglycerides were measured. Aortic ring study was conducted to determine the effect of combination treatments on phenylephrine-induced vasoconstriction and acetylcholine (Ach)-induced vasorelaxation. RESULTS: In combination, S-Amlodipine and Pioglitazone significantly reduced blood glucose (115.1 ± 6.6 vs. 81.7 ± 4.2), BP (184.4 ± 5.0 vs. 155.1 ± 5.0), serum triglycerides (362.5 ± 47.5 vs. 211.1 ± 23.7) and glucose intolerance when compared with vehicle treated Zucker fa/fa rats. Similar results were observed with the combination of S-Amlodipine and Ragaglitazar (Triglycerides, 362.5 ± 47.5 vs. 252.34 ± 27.86; BP, 184.4 ± 5.0 vs. 159.0 ± 8.0) except for serum glucose. ACh-induced vasorelaxation in aortic rings was also superior with both of the combinations compared to individual treatment. Furthermore, there was less body weight gain and food intake with S-Amlodipine and Pioglitazone combination in Zucker fa/fa rats. S-Amlodipine itself caused significant reduction in glucose (115.1 ± 6.6 vs. 89.7 ± 2.7) and BP (184.4 ± 5.0 vs. 156.1 ± 4.0) with improvement in insulin sensitivity observed through oral glucose tolerance test. CONCLUSIONS: The results suggest that a combination of PPAR agonists and S-Amlodipine has partial benefits in improving the cardiovascular risk factors such as reduction in triglyceride levels, associated with chronic type 2 diabetes, and therefore may be utilized as an approach for addressing some of these devastating metabolic syndrome complications

Comparison of the tetrahedron method to smearing methods for the electronic density of states

The electronic density of states (DOS) highlights fundamental properties of materials that oftentimes dictate their properties, such as the band gap and Van Hove singularities. In this short note, we discuss how sharp features of the density of states can be obscured by smearing methods (such as the Gaussian and Fermi smearing methods) when calculating the DOS. While the common approach to reach a "converged" density of states of a material is to increase the discrete k-point mesh density, we show that the DOS calculated by smearing methods can appear to converge but not to the correct DOS. Employing the tetrahedron method for Brillouin zone integration resolves key features of the density of states far better than smearing methods

Pharmacognostic, Phytochemical and Pharmacological Review of “Phog”- Calligonum polygonoides L.

Calligonum polygonoides (Phog) belongs to family Polygonaceae. It is a geographically widely distributed shrub seen from the arctic to the tropics. This endangered plant (included in Red data book of IUCN) is morphologically having stem with nodes and internodes, white flowers in spike inflorescence and needle like leaves. It is traditionally used to stabilize sand dunes, as fuel, and in treatment of heat-stroke by mixing with curd or “Rayata”. It is also reported as antidote for opium poisoning. Various phyto-chemicals present include butanolides- calligonolides A and B, various flavanoids like kaempferol, quercetin and their derivatives. Various steroidal compounds are reported in roots. Pharmacologicallly, its cytotoxic, anti-inflammatory, antioxidant, antifungal and biosorbent potentials are reported by various researchers. Therefore, an attempt has been made to accumulate properties of this potential herb. Keywords: Calligonum, Phog, biosorbent, heat-stroke, calligonolides, kaempfero

Cancer and systemic inflammation: treat the tumour and treat the host

Determinants of cancer progression and survival are multifactorial and host responses are increasingly appreciated to have a major role. Indeed, the development and maintenance of a systemic inflammatory response has been consistently observed to confer poorer outcome, in both early and advanced stage disease. For patients, cancer-associated symptoms are of particular importance resulting in a marked impact on day-to-day quality of life and are also associated with poorer outcome. These symptoms are now recognised to cluster with one another with anorexia, weight loss and physical function forming a recognised cluster whereas fatigue, pain and depression forming another. Importantly, it has become apparent that these symptom clusters are associated with presence of a systemic inflammatory response in the patient with cancer. Given the understanding of the above, there is now a need to intervene to moderate systemic inflammatory responses, where present. In this context the rationale for therapeutic intervention using nonselective anti-inflammatory agents is clear and compelling and likely to become a part of routine clinical practice in the near future. The published literature on therapeutic intervention using anti-inflammatory agents for cancer-associated symptoms was reviewed. There are important parallels with the development of useful treatments for the systemic inflammatory response in patients with rheumatological disease and cardiovascular disease

Estimation of greenhouse gas emissions from spontaneous combustion/fire of coal in opencast mines – Indian context

There are a significant number of uncontrolled coal mine fires (primarily due to spontaneous combustion of coal), which are currently burning all over the world. These spontaneous combustion sources emit greenhouse gases (GHGs). A critical review reveals that there are no standard measurement methods to estimate GHG emissions from mine fire/spontaneous combustion areas. The objective of this research paper was to estimate GHGs emissions from spontaneous combustion of coals in the Indian context. A sampling chamber (SC) method was successfully used to assess emissions at two locations of the Enna Opencast Project (OCP), Jharia Coalfield (JCF), for 3 months. The study reveals that measured cumulative average emission rate for CO2 varies from 75.02 to 286.03 gs−1m−1 and CH4 varies from 41.49 to 40.34 gs−1m−1 for low- and medium-temperature zones. The total GHG emissions predicted from this single fire affecting mines of JCF vary from 16.86 to 20.19 Mtyr−

Suppression of HBV by Tenofovir in HBV/HIV coinfected patients : a systematic review and meta-analysis

Background: Hepatitis B coinfection is common in HIV-positive individuals and as antiretroviral therapy has made death due to AIDS less common, hepatitis has become increasingly important. Several drugs are available to treat hepatitis B. The most potent and the one with the lowest risk of resistance appears to be tenofovir (TDF). However there are several questions that remain unanswered regarding the use of TDF, including the proportion of patients that achieves suppression of HBV viral load and over what time, whether suppression is durable and whether prior treatment with other HBV-active drugs such as lamivudine, compromises the efficacy of TDF due to possible selection of resistant HBV strains. Methods: A systematic review and meta-analysis following PRISMA guidelines and using multilevel mixed effects logistic regression, stratified by prior and/or concomitant use of lamivudine and/or emtricitabine. Results: Data was available from 23 studies including 550 HBV/HIV coinfected patients treated with TDF. Follow up was for up to seven years but to ensure sufficient power the data analyses were limited to three years. The overall proportion achieving suppression of HBV replication was 57.4%, 79.0% and 85.6% at one, two and three years, respectively. No effect of prior or concomitant 3TC/FTC was shown. Virological rebound on TDF treatment was rare. Interpretation: TDF suppresses HBV to undetectable levels in the majority of HBV/HIV coinfected patients with the proportion fully suppressed continuing to increase during continuous treatment. Prior treatment with 3TC/FTC does not compromise efficacy of TDF treatment. The use of combination treatment with 3TC/FTC offers no significant benefit over TDF alone