Conformational Transitions of Melittin between Aqueous and Lipid Phases: Comparison of Simulations with Experiments

Published date : 16 Aug 2018

Peptides are promising drug candidates with advantageous therapeutic properties. However, their inherent flexibility makes the development of structure−activity relationships difficult. Molecular dynamics simulations have been widely used to study peptide conformations, but they are limited by force field parameters.

type
Journal Paper
journal
The Journal of Physical Chemistry B, 2018, doi: 10.1021/acs.jpcb.8b06781
Impact Factor
3.146

Ultra-High Signal Detection of Human Embryonic Stem Cells Driven by Two-Dimensional Materials

Published date : 08 Aug 2018

We observed a unique bioelectric signal of human embryonic stem cells using direct current−voltage measurements facilitated by few-layered 2DMoS2 sheets. A 1.828 mA cell signal was achieved (2 orders of magnitude higher than previous electrical-based detection methods) as well as multiple cell reading cycles demonstrating I ∼ 1.9 mA. Native stem cell proliferation, viability, and pluripotency were preserved. Molecular dynamics simulations elucidated the origin of the 2D-MoS2 sheet-assisted increase in current flow.

type
Journal Paper
journal
ACS Applied Bio Materials, 2018, 1, Pg 210-215, doi: 10.1021/acsabm.8b00085.

Single mutations in the ε subunit from thermophilic Bacillus PS3 generate a high binding affinity site for ATP

Published date : 02 Aug 2018

The ε subunit from ATP synthases acts as an ATP sensor in the bacterial cell to prevent ATP hydrolysis and thus the waste of ATP under conditions of low ATP concentration. However, the ATP binding affinities from various bacterial organisms differ markedly, over several orders of magnitude. For example, the ATP synthases from thermophilic Bacillus PS3 and Escherichia coli exhibit affinities of 4 µM and 22 mM, respectively.

type
Journal Paper
journal
PeerJ 2018, Sep 5, doi: 10.7717/peerj.5505
Impact Factor
2.118

Anisotropic traction stresses and focal adhesion polarization mediates topography-induced cell elongation

Published date : 30 Jul 2018

Cell elongation and differentiation has been shown to be modulated by topographical cues provided by grating substratum. However, little is known about the mechanisms and forces involved in the grating-induced cell elongation, due to the difficulty in fabricating soft elastic gels that allow 3-dimensional (3D) cell traction stress measurements. In this paper, we present a method to fabricate soft elastic polyacrylamide grating substrates, using an imprinted polyethylene terephthalate mould, for 3D cell traction stress measurements.

type
Journal Paper
journal
Biomaterials, Vol. 181, October 2018, Pg 103-112, doi: 10.1016/j.biomaterials.2018.07.057
Impact Factor
8.806

The Associations between Dietary Practices and Dietary Quality, Biological Health Indicators, Perceived Stress, Religiosity, Culture, and Gender in Multi-Cultural Singapore

Published date : 29 Jul 2018

Dietary quality, biological health, culture, religiosity, and perceived stress are co-related. However, there is a dearth of research conducted on Asian populations in secularized and harmonious multi-cultural societies. This study addresses these gaps by conducting an investigation in the multi-cultural and multi-religious Singapore to examine the parameters of culture and gender and the associations with 1) dietary quality, 2) biological health indicators, 3) religiosity, and perceived stress.

type
Journal Paper
journal
Journal of Ethnic Foods, 2018, doi: 10.1016/j.jef.2018.07.003

Oncogenic activation of STAT3 pathway drives PD-L1 expression in natural killer/T cell lymphoma

Published date : 27 Jul 2018

Mature T-cell lymphomas, including peripheral T-cell lymphoma (PTCL) and extranodal NK/T-cell lymphoma (NKTL), represent a heterogeneous group of non-Hodgkin lymphomas with dismal outcomes and limited treatment options. To determine the extent of involvement of JAK/STAT pathway in this malignancy, we performed targeted capture sequencing of 188 genes in this pathway in 171 PTCL and NKTL cases. A total of 272 non-synonymous somatic mutations in 101 genes were identified in 73% of the samples, including 258 single nucleotide variants and 14 insertions or deletions.

type
Journal Paper
journal
Blood 2018 Jul 27, doi: 10.1182/blood-2018-01-829424
Impact Factor
15.132

A benchmarking study on virtual ligand screening against homology models of human GPCRs

Published date : 27 Jul 2018

G-protein-coupled receptor (GPCR) is an important target class of proteins for drug discovery, with over 27% of FDA-approved drugs targeting GPCRs. However, being a membrane protein, it is difficult to obtain the 3D crystal structures of GPCRs for virtual screening of ligands by molecular docking. Thus, we evaluated the virtual screening performance of homology models of human GPCRs with respect to the corresponding crystal structures.

type
Journal Paper
journal
Proteins: Structure, Function, and Bioinformatics, 2018 Jul 27, doi: 10.1002/prot.25533
Impact Factor
2.274

Supervised Segmentation of Un-annotated Retinal Fundus Images by Synthesis

Published date : 24 Jul 2018

We focus on the practical challenge of segmenting new retinal fundus images that are dissimilar to existing well-annotated datasets. It is addressed in this paper by a supervised learning pipeline, with its core being the construction of a synthetic fundus image dataset using the proposed R-sGAN technique. The resulting synthetic images are realistic-looking in terms of the query images, while maintaining the annotated vessel structures from the existing dataset. This helps to bridge the mismatch between the query images and the existing well-annotated dataset.

type
Journal Paper
journal
IEEE Transactions on Medical Imaging, 2018 Jul 24. doi: 10.1109/TMI.2018.2854886
Impact Factor
6.131

Homozygous mutation in MFSD2A, encoding a lysolipid transporter for docosahexanoic acid, is associated with microcephaly and hypomyelination

Published date : 24 Jul 2018

The major facilitator superfamily domain-containing protein 2A (MFSD2A) is a constituent of the blood-brain barrier and functions to transport lysophosphatidylcholines (LPCs) into the central nervous system. LPCs such as that derived from docosahexanoic acid (DHA) are indispensable to neurogenesis and maintenance of neurons, yet cannot be synthesized within the brain and are dependent on MFSD2A for brain uptake. Recent studies have implicated MFSD2A mutations in lethal and non-lethal microcephaly syndromes, with the severity correlating to the residual activity of the transporter.

type
Journal Paper
journal
Neurogenetics 2018 Jul 24. doi: 10.1007/s10048-018-0556-6
Impact Factor
3.09

Emerging technologies for food and drug safety

Published date : 23 Jul 2018

Emerging technologies are playing a major role in the generation of new approaches to assess the safety of both foods and drugs. However, the integration of emerging technologies in the regulatory decision-making process requires rigorous assessment and consensus amongst international partners and research communities.

type
Journal Paper
journal
Regulatory Toxicology and Pharmacology, Vol. 98, Oct 2018, Pg 115-128, doi: 10.1016/j.yrtph.2018.07.013
Impact Factor
2.815