Data on tuning phase crystal of boron-doped manganese oxide and activation in removal of formaldehyde.

The data in this work provides the effect of aging temperature on manganese oxide allotropes prepared by hydrothermal method in the presence of boron dopant. The synthesized samples were labeled as B/MnO -100, B/MnO -150, and B/MnO -180 corresponding to the hydrothermal temperature at 100, 150, and 180 °C, respectively. X-ray diffraction (XRD) and inductively coupled plasma mass spectrometry (ICP-MS) methods were conducted to clarify the crystalline structure, as well as the amount of potassium, manganese, and boron elements in the three synthesized samples.

Innovative virtual screening of PD-L1 inhibitors: the synergy of molecular similarity, neural networks and GNINA docking.

Immune checkpoint inhibitors targeting PD-L1 are crucial in cancer research for preventing cancer cells from evading the immune system. This study developed a screening model combining ANN, molecular similarity, and GNINA 1.0 docking to target PD-L1.

Molecular Analysis of Vietnamese Patients with Mucopolysaccharidosis Type I.

Mucopolysaccharidosis type I (MPS I) is a rare autosomal recessive disorder caused by deleterious mutations in the α-L-iduronidase () gene. Until now, MPS I in Vietnamese has been poorly addressed. Five MPS I patients were studied with direct DNA sequencing using Illumina technology confirming pathogenic variants in the gene.

Shear-induced mixing of granular materials featuring broad granule size distributions.

Granular flows during a shear-induced mixing process are studied using discrete element methods. The aim is to understand the underlying elementary mechanisms of transition from unmixed to mixed phases for a granular material featuring a broad distribution of particles, which we investigate systematically by varying the strain rate and system size. Here the strain rate varies over four orders of magnitude and the system size varies from ten thousand to more than a million granules.

Mechanistic Study of Charge Separation in a Nonfullerene Organic Donor-Acceptor Blend Using Multispectral Multidimensional Spectroscopy.

Organic photovoltaics (OPVs) based on nonfullerene acceptors are now approaching commercially viable efficiencies. One key to their success is efficient charge separation with low potential loss at the donor-acceptor heterojunction. Due to the lack of spectroscopic probes, open questions remain about the mechanisms of charge separation.

A Patient-Specific Computational Fluid Dynamic Model for Hemodynamic Analysis of Left Ventricle Diastolic Dysfunctions.

This work presents a computational fluid dynamic (CFD) model to simulate blood flows through the human heart's left ventricles (LV), providing patient-specific time-dependent hemodynamic characteristics from reconstructed MRI scans of LV. These types of blood flow visualization can be of great asset to the medical field helping medical practitioners better predict the existence of any abnormalities in the patient, hence offer an appropriate treatment. The methodology employed in this work processed geometries obtained from MRI scans of patient-specific LV throughout a cardiac cycle using computer-aided design tool.

A semi-automated method for patient-specific computational flow modelling of left ventricles.

Patient-specific computational fluid dynamics (CFD) modelling of the left ventricle (LV) is a promising technique for the visualisation of ventricular flow patterns throughout a cardiac cycle. While significant progress has been made in improving the physiological quality of such simulations, the methodologies involved for several key steps remain significantly operator-dependent to this day. This dependency limits both the efficiency of the process as well as the consistency of CFD results due to the labour-intensive nature of current methods as well as operator introduced uncertainties in the modelling process.