Morphology Determines an Efficient Coherent Electron Transport for Push-Pull Organic Semiconductors Based on Triphenylamine and Dicyanovinyl Groups.

The morphology of the active layer in organic solar cells is fundamental for achieving high power conversion efficiency. However, the morphological characteristics for optimal performance are still being investigated. An atomistic computational approach is required to determine the relationship between active layer morphology and performance. Since the organic solar cell has multiple phases and interfaces, the computational modeling of charge generation and transport is challenging. We then used a set of push-pull semiconductors to illustrate how the electronic transmission spectrum, derived from the Landauer-Büttiker formalism, can be used to investigate the efficiency of coherent charge transport across anisotropic organic solids. The electronic transmission spectrum was calculated from the electronic band structure obtained using the density-functional-based tight-binding method. We found that coherent charge transport was more efficient along the direction parallel with the interface between the electron-acceptor and electron-donor moieties for a herringbone morphology.

Platform for Healthcare Promotion and Cardiovascular Disease Prevention.

This article presents the hardware-software design and implementation of an open, integrated, and scalable healthcare platform oriented to multiple point-care scenarios for healthcare promotion and cardiovascular disease prevention. The platform has the capability to provide continuous monitoring, extended device integration, strategies based on artificial intelligence for the information analysis and cybersecurity support, delivering a secure end-to-end hardware-software solution. This platform is used to perform the remote patient health monitoring and supervision by doctors, triage procedures in hospitals, or self-care monitoring using personal devices such as tablets and cellphones. The proposed hardware architecture facilitates the integration of biomedical data acquired from different health-point cares, collecting relevant information for the detection of cardiovascular risk through deep-learning algorithms. All these characteristics make our development a strong tool to perform epidemiological profiling and future implementation of strategies for comprehensive cardiovascular risk intervention. The components of the platform are described, and their main functionalities are highlighted.

Exomes of Ductal Luminal Breast Cancer Patients from Southwest Colombia: Gene Mutational Profile and Related Expression Alterations.

Cancer is one of the leading causes of mortality worldwide. Breast cancer is the most frequent cancer in women, and in recent years it has become a serious public health problem in Colombia. The development of large-scale omic techniques allows simultaneous analysis of all active genes in tumor cells versus normal cells, providing new ways to discover the drivers of malignant transformations. Whole exome sequencing (WES) was obtained to provide a deep view of the mutational genomic profile in a set of cancer samples from Southwest Colombian women. WES was performed on 52 tumor samples from patients diagnosed with invasive breast cancer, which in most cases (33/52) were ductal luminal breast carcinomas (IDC-LM-BRCA). Global variant call was calculated, and six different algorithms were applied to filter out false positives and identify pathogenic variants. To compare and expand the somatic tumor variants found in the Colombian cohort, exome mutations and genome-wide expression alterations were detected in a larger set of tumor samples of the same breast cancer subtype from TCGA (that included DNA-seq and RNA-seq data). Genes with significant changes in both the mutational and expression profiles were identified, providing a set of genes and mutations associated with the etiology of ductal luminal breast cancer. This set included 19 single mutations identified as tumor driver mutations in 17 genes. Some of the genes (ATM, ERBB3, ESR1, TP53) are well-known cancer genes, while others (CBLB, PRPF8) presented driver mutations that had not been reported before. In the case of the CBLB gene, several mutations were identified in TCGA IDC-LM-BRCA samples associated with overexpression of this gene and repression of tumor suppressive activity of TGF-ß pathway.

Implementación hardware del algoritmo de Needleman-Wunsch modificado usando una arquitectura paralela / Hardware implementation of modified Needleman-Wunsch algorithm using a parallel architecture / Implementação de hardware do algoritmo modificado Needleman-Wunsch usando uma arquitetura paralela

Resumen Este artículo presenta el diseño de un procesador para el alineamiento global de pares de cadenas de ADN. El principal bloque funcional del procesador es un arreglo paralelo de dos dimensiones que permite realizar cálculos simultáneos, reduciendo el tiempo de procesamiento con respecto a la implementación software. En este trabajo, el hardware diseñado lleva a cabo la alineación de dos secuencias de más de 400 nucleótidos correspondientes a la proteína de transición 1 (Tnp1) de la rata parda y el ratón común. El algoritmo implementado es k-band, una modificación del algoritmo de alineamiento global Needleman-Wunsch, donde se realizan únicamente cálculos sobre las diagonales principales de la matriz, formando una banda que puede ser de un tamaño variable. Se realizan simulaciones del diseño propuesto usando bandas de K=2, 4, 6, 8 y 10.

Abstract This paper proposes a DNA sequence pair global alignment processor design. The processor main functional block is a two-dimensional parallel array that allows simultaneous computations, reducing the processing time compared to the software implementation. In this work, the designed hardware performs over 400 nucleotides sequence alignment corresponding to the Mus musculus transition protein 1 (Tnp1), mRNA and the Rattus norvegicus transition protein 1 (Tnp1), mRNA. The implemented algorithm is k-band, a Needleman-Wunsch global alignment algorithm modification, where calculations are made only on the matrix diagonals, establishing a band that can be of a variable size. Simulations of the proposed design are performed using K = 2, 4, 6, 8 and 10 bands.

Resumo Este artigo propõe um projeto de processador de alinhamento global de pares de cadeia de DNA. O bloco funcional principal do processador é uma matriz bidimensional paralela que permite cálculos simultâneos, reduzindo o tempo de processamento para a implementação do software. Neste trabalho, o hardware projetado executa o alinhamento de duas sequências de mais de 400 nucleótidos correspondente à proteína de transição 1 (Tnp1) do rato marrom e ao mouse comum. O algoritmo implementado é k-band, uma modificação do algoritmo de alinhamento global Needleman-Wunsch, onde os cálculos são feitos apenas nas diagonais da matriz, estabelecendo uma banda que pode ser de tamanho variável. As simulações do projeto proposto são realizadas usando K = 2, 4, 6, 8 e 10 bandas.

Hardware Accelerator for the Multifractal Analysis of DNA Sequences.

The multifractal analysis has allowed to quantify the genetic variability and non-linear stability along the human genome sequence. It has some implications in explaining several genetic diseases given by some chromosome abnormalities, among other genetic particularities. The multifractal analysis of a genome is carried out by dividing the complete DNA sequence in smaller fragments and calculating the generalized dimension spectrum of each fragment using the chaos game representation and the box-counting method. This is a time consuming process because it involves the processing of large data sets using floating-point representation. In order to reduce the computation time, we designed an application-specific processor, here called multifractal processor, which is based on our proposed hardware-oriented algorithm for calculating efficiently the generalized dimension spectrum of DNA sequences. The multifractal processor was implemented on a low-cost SoC-FPGA and was verified by processing a complete human genome. The execution time and numeric results of the Multifractal processor were compared with the results obtained from the software implementation executed in a 20-core workstation, achieving a speed up of 2.6x and an average error of 0.0003 percent.

TRPV1 channel as a target for cancer therapy using CNT-based drug delivery systems.

Carbon nanotubes are being considered for the design of drug delivery systems (DDSs) due to their capacity to internalize molecules and control their release. However, for cellular uptake of drugs, this approach requires an active translocation pathway or a channel to transport the drug into the cell. To address this issue, it is suggested to use TRPV1 ion channels as a potential target for drug release by nano-DDSs since these channels are overexpressed in cancer cells and allow the permeation of large cationic molecules. Considering these facts, this work presents three studies using molecular dynamics simulations of a human TRPV1 (hTRPV1) channel built here. The purpose of these simulations is to study the interaction between a single-wall carbon nanotube (SWCNT) and hTRPV1, and the diffusion of doxorubicin (DOX) across hTRPV1 and across a POPC lipid membrane. The first study shows an attractive potential between the SWCNT surface and hTRPV1, tilting the adsorbed SWCNT. The second study shows low diffusion probability of DOX across the open hTRPV1 due to a high free energy barrier. Although, the potential energy between DOX and hTRPV1 reveals an attractive interaction while DOX is inside hTRPV1. These results suggest that if the channel is dilated, then DOX diffusion could occur. The third study shows a lower free energy barrier for DOX across the lipid membrane than for DOX across hTRPV1. Taking into account the results obtained, it is feasible to design novel nano-DDSs based on SWCNTs to accomplish controlled drug release into cells using as translocation pathway, the hTRPV1 ion channel.

SISTEMA DE PULSIOXIMETRÍA Y CAPNOGRAFÍA PARA DISPOSITIVOS MÓVILES ANDROID / A PULSE-OXIMETRIC AND CAPNOGRAPHIC SYSTEM FOR ANDROID MOBILE DEVICES / SISTEMA DE OXIMETRIA DE PULSO E CAPNOGRAFIA PARA DISPOSITIVOS MÓVEIS ANDROID

El monitoreo constante del nivel de saturación de oxígeno y la producción de CO2 es de vital importancia para la supervisión del estado respiratorio del paciente. Este artículo presenta el diseño de un sistema de oximetría de pulso y capnografía que tiene como unidad de procesamiento un chip programable de señales mixtas denominado PSoC (Programable-System-On-Chip), el cual incorpora bloques análogos y digitales configurables, permitiendo que la adecuación de las señales suministradas por los sensores y el procesamiento digital de señales se lleve a cabo en el mismo chip. Se realizó una aplicación en Android para la visualización y registro de las señales biomédicas en una base de datos local, compatible con dispositivos móviles con conectividad wifi. El sistema fue verificado usando un simulador de SpO2 (Saturación parcial de oxígeno), que permitió la calibración de frecuencias cardiacas desde 55 BPM (Beats per Minute) a 145 BPM, así como la curva R con valores de 75% a 100% de SpO2. Se encontró que el error de medición de la frecuencia cardiaca es 1,81%, y 1.33% para la SpO2.

Constant monitoring of oxygen saturation level and CO2 production is vital for monitoring the patient's respiratory status. This paper presents the design of a pulse-oximetric and capnographic system, which core consists of a mixed signal programmable chip, PSoC (Programmable-System-On-Chip), which incorporates a whole analog and digital configurable block system, in order to adequate and process the signals from the sensors all in a single chip. An Android application was also developed, which can display biomedical signals in mobile devices with wireless connectivity, as well as to store information from these signals in a local user database. The microsystem was verified using a SpO2 (oxygen partial saturation) simulator, and heart rates of 55 BPM to 145 BPM were calibrated, as well as the R curve with values of 75% to 100% SpO2. The heart rate measurement error found is 1,81% and 1,33% for the SpO2.

O monitoramento constante do nível de saturação de oxigênio e produção de CO2 é fundamental para monitorar o estado respiratório do paciente. Este artigo apresenta o projeto de um sistema de oximetria de pulso e capnografia cuja unidade de processamento um chips de sinal misto programável chamado PSoC (Programmable-System-On-Chip), o qual incorpora blocos analógicos e digitais configuráveis, permitindo a adaptação dos sinais fornecidos pelos sensores e o processamento digital de sinais será executada no mesmo chip. Foi realizada una aplicação Android para visualização e gravação de sinais biomédicos em um banco de dados local, compatível com dispositivos móveis com conectividade sem fio. O sistema foi testado usando um simulador de SpO2 (saturação de oxigênio parcial), permitindo a calibração da freqüência cardíaca de 55 BPM (batidas por minuto) a 145 BPM, assim como a curva R com valores de 75% a 100% SpO2 . Verificou-se que o erro de medição do ritmo cardíaco é 1,81% e 1,33% para o SpO2.