Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids.

The X-ray structures of three new 1:1 pharmaceutical cocrystals of 11-azaartemisinin (11-Aza; systematic name: 1,5,9-trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one, C15H23NO4) with bromo-substituted salicylic acids [namely, 5-bromo- (5-BrSalA, C7H5BrO3), 4-bromo- (4-BrSalA, C7H5BrO3) and 3,5-dibromosalicylic acid (3,5-Br2SalA, C7H4Br2O3)] are reported. All the structures are related to the parent 11-Aza:SalA cocrystal (monoclinic P21) reported previously. The 5-BrSalA analogue is isostructural with the parent, with lattice expansion along the c axis. The 4-BrSalA and 3,5-Br2SalA cocrystals retain the highly preserved 21 stacks of the molecular pairs, but these pack with a varying degree of slippage with respect to neighbouring stacks, altering the close contacts between them, and represent two potential alternative homostructural arrangements for the parent compound. Structure redeterminations of the bromosalicylic acids 5-BrSalA, 4-BrSalA and 3,5-Br2SalA at 100 K show that the packing efficiency of the cocrystals need not be higher than the parent coformers, based on specific-volume calculations, attributable to the strong O-H...O=C hydrogen bonds of 2.54 Šin the cocrystals.

On-Device Reliability Assessment and Prediction of Missing Photoplethysmographic Data Using Deep Neural Networks.

Photoplethysmographic (PPG) measurements from ambulatory subjects may suffer from unreliability due to body movements and missing data segments due to loosening of sensor. This paper describes an on-device reliability assessment from PPG measurements using a stack denoising autoencoder (SDAE) and multilayer perceptron neural network (MLPNN). The missing segments were predicted by a personalized convolutional neural network (CNN) and long-short term memory (LSTM) model using a short history of the same channel data. Forty sets of volunteers' data, consisting of equal share of healthy and cardiovascular subjects were used for validation and testing. The PPG reliability assessment model (PRAM) achieved over 95% accuracy for correctly identifying acceptable PPG beats out of total 5000 using expert annotated data. Disagreement with experts' annotation was nearly 3.5%. The missing segment prediction model (MSPM) achieved a root mean square error (RMSE) of 0.22, and mean absolute error (MAE) of 0.11 for 40 missing beats prediction using only four beat history from the same channel PPG. The two models were integrated in a standalone device based on quad-core ARM Cortex-A53, 1.2 GHz, with 1 GB RAM, with 130 MB memory requirement and latency ∼0.35 s per beat prediction with a 30 s frame. The present method also provides improved performance with published works on PPG quality assessment and missing data prediction using two public datasets, CinC and MIMIC-II under PhysioNet.