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Supplementary Figure.pdf

Jin Wang
Supplementa lFig. S1. GO and KEGG pathway analyses of the differentially expressed mRNAs. (A) Major enriched and significant GO-assessed up-regulated mRNAs.(B) Major enriched and significant GO-assessed down-regulated mRNAs. (C) The top ten significantly enriched pathways for the up-regulated mRNAs. (D) The top ten significantly enriched pathways for the down-regulated mRNAs. (E) The top 8 GO terms of biological process were significantly enriched for the 20 up-regulated genes in preeclampsia. (F) The top 9 GO terms...

The performance of the single-walled carbon nanotube covalently modified with polyethylene glycol to delivery of Gemcitabine anticancer drug in the aqueous environment

Heidar Moradnia, Heidar Raissi & Mahnaz Shahabi
A computational investigation of Gemcitabine drug adsorption on the single-walled carbon nanotube covalently modified with polyethylene glycol in a series of the configurations is studied using density functional theory calculations. It is observed that O…H hydrogen bonds are the dominating intermolecular interactions during the complex formation between anti-cancer drug and the nanotube. The studied hydrogen bonded complexes are treated theoretically to elucidate the nature of the intermolecular hydrogen bonds, geometrical structures, the binding energy and...

The performance of the single-walled carbon nanotube covalently modified with polyethylene glycol to delivery of Gemcitabine anticancer drug in the aqueous environment

Heidar Moradnia, Heidar Raissi & Mahnaz Shahabi
A computational investigation of Gemcitabine drug adsorption on the single-walled carbon nanotube covalently modified with polyethylene glycol in a series of the configurations is studied using density functional theory calculations. It is observed that O…H hydrogen bonds are the dominating intermolecular interactions during the complex formation between anti-cancer drug and the nanotube. The studied hydrogen bonded complexes are treated theoretically to elucidate the nature of the intermolecular hydrogen bonds, geometrical structures, the binding energy and...

Correlation of structure, function and protein dynamics in myoglobins from Eurasian woodcock, chicken and ostrich.

Sara Ragucci, Alessio Ruggiero, Rosita Russo, Nicola Landi, Mariangela Valletta, Angela Chambery, Luigi Russo & Antimo Di Maro
Myoglobin (Mb), oxygen-binding heme-protein retrieved primarily in muscles, is a local oxygen reservoir providing to oxygen when oxygen delivery is insufficient during catabolism. Furthermore, Mb structure is studied as example of molecular evolution for its ability to respond to environmental pressures and adapt to it through few amino acid substitutions. Here, in order to explore the structure-function-dynamics relationships of Eurasian woodcock chicken and ostrich Mbs we have applied an integrated approach in which spectroscopic and...

Correlation of structure, function and protein dynamics in myoglobins from Eurasian woodcock, chicken and ostrich.

Sara Ragucci, Alessio Ruggiero, Rosita Russo, Nicola Landi, Mariangela Valletta, Angela Chambery, Luigi Russo & Antimo Di Maro
Myoglobin (Mb), oxygen-binding heme-protein retrieved primarily in muscles, is a local oxygen reservoir providing to oxygen when oxygen delivery is insufficient during catabolism. Furthermore, Mb structure is studied as example of molecular evolution for its ability to respond to environmental pressures and adapt to it through few amino acid substitutions. Here, in order to explore the structure-function-dynamics relationships of Eurasian woodcock chicken and ostrich Mbs we have applied an integrated approach in which spectroscopic and...

In Silico Identification and Evaluation of Bacillus subtilis Cold Shock Protein B (cspB)-like Plant RNA Chaperones

Suman , Meenakshi Chaudhary & Vikrant Nain
Cold shock domain (CSD) proteins with nucleic acid binding properties are well conserved from bacteria to higher organisms. In bacteria, the cold shock proteins (CSPs) are single domain RNA chaperones, whereas in animals and plants, CSDs are accompanied by additional domains with roles in transcription regulation. Bacterial CSPs (Escherischia coli-cspA and Bacilus subtilis-cspB) have successfully imparted drought tolerance in transgenic plants; however, these cannot be deployed in food crops due to their low public acceptance...

In Silico Identification and Evaluation of Bacillus subtilis Cold Shock Protein B (cspB)-like Plant RNA Chaperones

Suman , Meenakshi Chaudhary & Vikrant Nain
Cold shock domain (CSD) proteins with nucleic acid binding properties are well conserved from bacteria to higher organisms. In bacteria, the cold shock proteins (CSPs) are single domain RNA chaperones, whereas in animals and plants, CSDs are accompanied by additional domains with roles in transcription regulation. Bacterial CSPs (Escherischia coli-cspA and Bacilus subtilis-cspB) have successfully imparted drought tolerance in transgenic plants; however, these cannot be deployed in food crops due to their low public acceptance...

A dose-response meta-analysis of green tea consumption and breast cancer risk

Yanli Wang, Yanyan Zhao, Feifei Chong, Mengmeng Song, Qiuyu Sun, Tiandong Li, Linping Xu & Chunhua Song
Whether drinking green tea (GT) could reduce the risk of breast cancer (BC) is still controversial. The search was performed using PubMed, Embase and Web of Science databases. The generalised least square method and constrained cubic spline model were performed to assess the dose-response trends between GT consumption and BC risk. The attributable risk proportion (ARP) was also calculated. A total of 16 studies were included and the pooled relative risks was 0.86 (95%CI: 0.75–0.99)...

Figure 1- CA Substrate Droplet Spread Comparison_11222016.xlsx from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Data used to create Figure 1 CA Substrate Droplet Spread Comparison

Electronic Supplementary Material from Analysis of statistical correlations between properties of adaptive walks in fitness landscapes

Sandro M. Reia & Paulo R. A. Campos
This electronic supplementary material provides additional figures of the mutational pathways for the Gb1 and NK fitness landscapes, as well as additional correlation tables.

Electronic Supplementary Material from Analysis of statistical correlations between properties of adaptive walks in fitness landscapes

Sandro M. Reia & Paulo R. A. Campos
This electronic supplementary material provides additional figures of the mutational pathways for the Gb1 and NK fitness landscapes, as well as additional correlation tables.

A dose-response meta-analysis of green tea consumption and breast cancer risk

Yanli Wang, Yanyan Zhao, Feifei Chong, Mengmeng Song, Qiuyu Sun, Tiandong Li, Linping Xu & Chunhua Song
Whether drinking green tea (GT) could reduce the risk of breast cancer (BC) is still controversial. The search was performed using PubMed, Embase and Web of Science databases. The generalised least square method and constrained cubic spline model were performed to assess the dose-response trends between GT consumption and BC risk. The attributable risk proportion (ARP) was also calculated. A total of 16 studies were included and the pooled relative risks was 0.86 (95%CI: 0.75–0.99)...

Figure 2 -CyrtarachneSurfaceSpreading Comparison.ai from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Contaminants decrease adhesive strength by interfering with substrate contact. Spider webs adhering to moths present an ideal model to investigate how natural adhesives overcome contamination because moths' sacrificial layer of scales rubs off on sticky silk, facilitating escape. However, Cyrtarachninae spiders have evolved gluey capture threads that adhere well to moths. Cyrtarachne capture threads contain large glue droplets oversaturated with water, readily flowing but also prone to drying out. Here, we compare the spreading and...

Figure 4 – Species Comparison_MothSurfaces_Final6152017.xlsx from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Data used to create Figure 4 – species comparison of adhesion to moth surfaces

Figure 3 - Interspecies Spreading-LC on Moth Wings.ai from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Contaminants decrease adhesive strength by interfering with substrate contact. Spider webs adhering to moths present an ideal model to investigate how natural adhesives overcome contamination because moths' sacrificial layer of scales rubs off on sticky silk, facilitating escape. However, Cyrtarachninae spiders have evolved gluey capture threads that adhere well to moths. Cyrtarachne capture threads contain large glue droplets oversaturated with water, readily flowing but also prone to drying out. Here, we compare the spreading and...

Figure 5 and Supplementary Ratio Comparison 5282019.xls from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Data used to create supplementary table 1 and figure 5

Figure 1- CA Substrate Droplet Spread Comparison_11222016.xlsx from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Data used to create Figure 1 CA Substrate Droplet Spread Comparison

Supplementary Table 1.doc from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Percentage change from initial IR reading to the end of the trial of the ratio of bound and loosely bound water to the common 1650 nm protein peak.

Supplementary Table 1.doc from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Percentage change from initial IR reading to the end of the trial of the ratio of bound and loosely bound water to the common 1650 nm protein peak.

Figure 2 -CyrtarachneSurfaceSpreading Comparison.ai from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Contaminants decrease adhesive strength by interfering with substrate contact. Spider webs adhering to moths present an ideal model to investigate how natural adhesives overcome contamination because moths' sacrificial layer of scales rubs off on sticky silk, facilitating escape. However, Cyrtarachninae spiders have evolved gluey capture threads that adhere well to moths. Cyrtarachne capture threads contain large glue droplets oversaturated with water, readily flowing but also prone to drying out. Here, we compare the spreading and...

Combined document uploaded from Quantum chemical molecular dynamics and metadynamics simulation of aluminium binding to amyloid-β and related peptides

James A. Platts
We report semi-empirical tight-binding simulations of the interaction between Al(III) and biologically relevant peptides. The GFN2-XTB method is shown to accurately reproduce previously reported and DFT-calculated geometries of model systems. Molecular dynamics simulations based on this method are able to sample peptide flexibility over timescales of up to nanoseconds, but these timescales are insufficient to explore potential changes in metal–peptide binding modes. To achieve this, metadynamics simulations using root mean square deviation as a collective...

Figure 4 – Species Comparison_MothSurfaces_Final6152017.xlsx from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Data used to create Figure 4 – species comparison of adhesion to moth surfaces

Figure 5 and Supplementary Ratio Comparison 5282019.xls from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Data used to create supplementary table 1 and figure 5

Figure 3 - Interspecies Spreading-LC on Moth Wings.ai from The moth specialist spider Cyrtarachne akirai uses prey scales to increase adhesion

Candido Diaz, Daniel Maksuta, Gaurav Amarpuri, Akio Tanikawa, Tadashi Miyashita, Ali Dhinojawala & Todd Blackledge
Contaminants decrease adhesive strength by interfering with substrate contact. Spider webs adhering to moths present an ideal model to investigate how natural adhesives overcome contamination because moths' sacrificial layer of scales rubs off on sticky silk, facilitating escape. However, Cyrtarachninae spiders have evolved gluey capture threads that adhere well to moths. Cyrtarachne capture threads contain large glue droplets oversaturated with water, readily flowing but also prone to drying out. Here, we compare the spreading and...

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