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Deep clustering of protein folding simulations

Debsindhu Bhowmik、Shang Gao、M. Todd Young 等 4 位作者2018-12-01BMC Bioinformatics

BACKGROUND: We examine the problem of clustering biomolecular simulations using deep learning techniques. Since biomolecular simulation datasets are inherently high dimensional, it is often necessary to build low dimensional representations that can be used to extract quantitative insights into the atomistic mechanism…

Protein Structure and DynamicsMachine Learning in Materials ScienceMachine Learning in Bioinformatics

Probing nanoliposomes using single particle analytical techniques: effect of excipients, solvents, phase transition and zeta potential

M. Danaei、Mahdieh Kalantari、Maliheh Raji 等 10 位作者2018-12-01Heliyon

There has been a steady increase in the interest towards employing nanoliposomes as colloidal drug delivery systems, particularly in the last few years. Their biocompatibility nature along with the possibility of encapsulation of lipid-soluble, water-soluble and amphipathic molecules and compounds are among the advant…

Nanoparticle-Based Drug DeliveryLipid Membrane Structure and BehaviorAdvancements in Transdermal Drug Delivery

Effect of incorporation of different plasticizers on structural and ion transport properties of PVA-LiClO4 based electrolytes

G. Hirankumar、N. Mehta2018-12-01Heliyon

To date high ionic conducting polymer electrolytes are of great interest because of their potential applications in various electrochemical devices such as batteries, fuel cells, solar cells and super capacitors etc., as electrolytes. Ion conduction through polymer electrolytes can occur mostly in amorphous environmen…

Advancements in Battery MaterialsAdvanced Battery Materials and TechnologiesConducting polymers and applications

Application of Dextran As Nanoscale Drug Carriers

Gangliang Huang、Hualiang Huang2018-12-01Nanomedicine

Dextran is a kind of biocompatible, nontoxic and nonimmunogenic biological substance that has been widely used in drug-delivery systems. With further research and understanding of dextran and its derivatives, people can more precisely control the sequence of dextran by chemical and biosynthetic methods as needed, and…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesRNA Interference and Gene Delivery

Ruddlesden–Popper Perovskite for Stable Solar Cells

Chao Liang、Dandan Zhao、Yan Li 等 7 位作者2018-12-01Energy & environment materials

Three‐dimensional metal‐halide perovskites have emerged as promising light harvesting materials for converting sunlight to electricity in the last few years. High power conversion efficiency of 23.3% has been demonstrated. However, the main challenge that currently limits the application of the perovskite solar cells…

Perovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesConducting polymers and applications

Perforated Lightweight Broadband Metamaterial Absorber Based on 3-D Printed Honeycomb

Saptarshi Ghosh、Sungjoon Lim2018-12-01IEEE Antennas and Wireless Propagation Letters

This letter presents a broadband metamaterial absorber based on three-dimensional (3-D) printing technology. The proposed design comprises periodic arrays of honeycomb core as the constituent dielectric, onto which resistive paint has been deposited to realize broadband absorption. The novel feature of this structure…

Antenna Design and AnalysisMetamaterials and Metasurfaces ApplicationsAdvanced Antenna and Metasurface Technologies

Low-cost cultivation of Sporosarcina pasteurii strain in food-grade yeast extract medium for microbially induced carbonate precipitation (MICP) application

Armstrong Ighodalo Omoregie、Lock Hei Ngu、Dominic Ek Leong Ong 等 4 位作者2018-12-01Biocatalysis and Agricultural Biotechnology

Sporosarcina pasteurii is a well-known ureolytic microbial species that proficiently induces the deposition of calcium carbonate through microbially induced carbonate precipitation (MICP) process for various biotechnological and engineering purposes. In view to resolving the concern on high-cost bacterial cultivation…

Corrosion Behavior and InhibitionCalcium Carbonate Crystallization and InhibitionMicrobial Applications in Construction Materials

Nanowires for energy: A review

Nebile Işık Göktaş、Paul Wilson、Ara Ghukasyan 等 6 位作者2018-12-01Applied Physics Reviews

Semiconductor nanowires (NWs) represent a new class of materials and a shift from conventional two-dimensional bulk thin films to three-dimensional devices. Unlike thin film technology, lattice mismatch strain in NWs can be relaxed elastically at the NW free surface without dislocations. This capability can be used to…

Advanced Thermoelectric Materials and DevicesNanowire Synthesis and ApplicationsAdvanced Energy Technologies and Civil Engineering Innovations

The role of the molecular chaperone CCT in protein folding and mediation of cytoskeleton-associated processes: implications for cancer cell biology

Josefine Vallin、Julie Grantham2018-12-01Cell Stress and Chaperones

The chaperonin-containing tailless complex polypeptide 1 (CCT) is required in vivo for the folding of newly synthesized tubulin and actin proteins and is thus intrinsically connected to all cellular processes that rely on the microtubule and actin filament components of the cytoskeleton, both of which are highly regul…

Protein Structure and DynamicsHeat shock proteins researchEnzyme Structure and Function

Resource or waste? A perspective of plastics degradation in soil with a focus on end-of-life options

Riccardo Scalenghe2018-12-01Heliyon

'Capable-of-being-shaped' synthetic compounds are prevailing today over horn, bone, leather, wood, stone, metal, glass, or ceramic in products that were previously left to natural materials. Plastic is, in fact, economical, simple, adaptable, and waterproof. Also, it is durable and resilient to natural degradation (al…

biodegradable polymer synthesis and propertiesMicroplastics and Plastic PollutionRecycling and Waste Management Techniques

The diverse small proteins called odorant-binding proteins

Jennifer S. Sun、Shuke Xiao、John R. Carlson2018-12-01Open Biology

The term 'odorant-binding proteins (Obps)' is used to refer to a large family of insect proteins that are exceptional in their number, abundance and diversity. The name derives from the expression of many family members in the olfactory system of insects and their ability to bind odorants in vitro. However, an increas…

Neurobiology and Insect Physiology ResearchOlfactory and Sensory Function StudiesPhotochromic and Fluorescence Chemistry

Effect of Hydrocolloids on Rheological Properties and Printability of Vegetable Inks for 3D Food Printing

Hyun‐Woo Kim、Jang Ho Lee、Sae Mi Park 等 7 位作者2018-12-01Journal of Food Science

In food ink systems in which the particles are dispersed in a hydrocolloid matrix, the source of the particles and the particle content are the main factors affecting the printability and rheological properties of the system. In this study, different contents (10% and 30% w/w) of vegetable (broccoli, spinach, or carro…

Electrospun Nanofibers in Biomedical ApplicationsAdditive Manufacturing and 3D Printing Technologies3D Printing in Biomedical Research

ECRAM as Scalable Synaptic Cell for High-Speed, Low-Power Neuromorphic Computing

Jianshi Tang、Douglas M. Bishop、Seyoung Kim 等 12 位作者2018-12-01OpenAlex

We demonstrate a nonvolatile Electro-Chemical Random-Access Memory (ECRAM) based on lithium (Li) ion intercalation in tungsten oxide (WO3) for high-speed, low-power neuromorphic computing. Symmetric and linear update on the channel conductance is achieved using gate current pulses, where up to 1000 discrete states wit…

Advanced Memory and Neural ComputingTransition Metal Oxide NanomaterialsPhotoreceptor and optogenetics research

Role of Endothelium in Doxorubicin-Induced Cardiomyopathy

Albert Z. Luu、Biswajit Chowdhury、Mohammed Al‐Omran 等 6 位作者2018-12-01JACC Basic to Translational Science

The clinical use of doxorubicin in cancer is limited by cardiotoxic effects that can lead to heart failure. Whereas earlier work focused on the direct impact of doxorubicin on cardiomyocytes, recent studies have turned to the endothelium, because doxorubicin-damaged endothelial cells can trigger the development and pr…

Cardiac Imaging and DiagnosticsDiamond and Carbon-based Materials ResearchChemotherapy-induced cardiotoxicity and mitigation

Repurposed Leather with Sensing Capabilities for Multifunctional Electronic Skin

Binghua Zou、Yuanyuan Chen、Y. Liu 等 14 位作者2018-12-01Advanced Science

Electronic skin (e-skin), an important part toward the realization of artificial intelligence, has been developing through comprehending, mimicking, and eventually outperforming skin in some aspects. Most of the e-skin substrates are flexible polymers, such as polydimethylsiloxane (PDMS). Although PDMS was found to be…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsNanomaterials and Printing Technologies

Eco-friendly synthesis, characterization, in vitro and in vivo anti-inflammatory activity of silver nanoparticle-mediated Selaginella myosurus aqueous extract

Philippe Belle Ebanda Kedi、Francois Eya'ane Meva、L. Kotsedi 等 9 位作者2018-12-01International Journal of Nanomedicine

Introduction: There is emerging interest in medicinal plants in the biomedical field, due to their multitude of chemicals which show anti-inflammatory, antimicrobial, antiviral, or antitumoral potential. Research on medicinal plants has shown that nanotechnology could offer new solutions in the quality control, delive…

Nanoparticles: synthesis and applicationsBiological Activity of Diterpenoids and BiflavonoidsParaquat toxicity studies and treatments

A probabilistic molecular fingerprint for big data settings

Daniel Probst、Jean‐Louis Reymond2018-12-01Journal of Cheminformatics

BACKGROUND: Among the various molecular fingerprints available to describe small organic molecules, extended connectivity fingerprint, up to four bonds (ECFP4) performs best in benchmarking drug analog recovery studies as it encodes substructures with a high level of detail. Unfortunately, ECFP4 requires high dimensio…

Computational Drug Discovery MethodsGraph theory and applicationsMachine Learning in Materials Science

IMPDH2 promotes colorectal cancer progression through activation of the PI3K/AKT/mTOR and PI3K/AKT/FOXO1 signaling pathways

Shiyu Duan、Wen-Qing Huang、Xiaoting Liu 等 9 位作者2018-12-01Journal of Experimental & Clinical Cancer Research

BACKGROUND: Inosine 5'-monophosphate dehydrogenase type II (IMPDH2) was originally identified as an oncogene in several human cancers. However, the clinical significance and biological role of IMPDH2 remain poorly understood in colorectal cancer (CRC). METHODS: Quantitative real-time polymerase chain reaction (qPCR),…

Enzyme Structure and FunctionPeptidase Inhibition and AnalysisBiochemical and Molecular Research

Convolutional neural network based on SMILES representation of compounds for detecting chemical motif

Maya Hirohara、Yutaka Saitō、Yuki Koda 等 5 位作者2018-12-01BMC Bioinformatics

BACKGROUND: Previous studies have suggested deep learning to be a highly effective approach for screening lead compounds for new drugs. Several deep learning models have been developed by addressing the use of various kinds of fingerprints and graph convolution architectures. However, these methods are either advantag…

Computational Drug Discovery MethodsMachine Learning in Materials ScienceMachine Learning in Bioinformatics

Thin-film solar cells exceeding 22% solar cell efficiency: An overview on CdTe-, Cu(In,Ga)Se2-, and perovskite-based materials

Michael Powalla、Stefan Paetel、Erik Ahlswede 等 6 位作者2018-12-01Applied Physics Reviews

Already, several technologies of polycrystalline thin-film photovoltaic materials have achieved certified record small-cell power conversion efficiencies exceeding 22%. They are CdTe, Cu(In,Ga)(S,Se)2 (CIGS), and metal halide perovskite (PSC), each named after the light-absorbing semiconductor material. Thin-film sola…

Perovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films