A5020312971- History and advancements in chemistry
- Computational Drug Discovery Methods
- Metabolomics and Mass Spectrometry Studies
- Molecular spectroscopy and chirality
- Analytical Chemistry and Chromatography
- Various Chemistry Research Topics
- Chemical Thermodynamics and Molecular Structure
- Crystallography and molecular interactions
- Renal and related cancers
- Diet and metabolism studies
- Advanced NMR Techniques and Applications
- Renal cell carcinoma treatment
- NMR spectroscopy and applications
- Tuberous Sclerosis Complex Research
- Shoulder and Clavicle Injuries
- Origins and Evolution of Life
- Educational Research and Science Teaching
- Infectious Diseases and Mycology
- Spectroscopy and Chemometric Analyses
- Cholinesterase and Neurodegenerative Diseases
- Innovation and Socioeconomic Development
- Cutaneous Melanoma Detection and Management
- Advanced MRI Techniques and Applications
- Fungal Infections and Studies
- Sexual Differentiation and Disorders
Murdoch University
2024-2025
Avenir Health
2024
Quadram Institute
2024
Weatherford College
2024
Imperial College London
2024
Imperial Valley College
2024
Universidad Nacional de Colombia
2005-2023
Hospital Universitario Nacional de Colombia
2015-2023
Max Planck Institute for Mathematics in the Sciences
2022
Universidad de Bogotá Jorge Tadeo Lozano
2017-2022
Abstract COVID-19 vaccines are crucial in reducing SARS-CoV-2 transmission and severe health outcomes. Despite widespread administration, their long-term systemic effects on human metabolism remain inadequately understood. This longitudinal study aims to evaluate IgG responses, 34 cytokines, 112 lipoproteins, 21 low-molecular-weight metabolites 33 individuals receiving two four vaccine doses. Changes metabolic profiles for the first 16 days post each dose of vaccine, up 480 post-initial...
The sensorial properties of Colombian coffee are renowned worldwide, which is reflected in its market value. This raises the threat fraud by adulteration using grains from other countries, thus creating a demand for robust and cost-effective methods determination geographical origin samples. Spectroscopic techniques such as Nuclear Magnetic Resonance (NMR), near infrared (NIR), mid-infrared (mIR) have arisen strong candidates task. Although body work exists that reports on their individual...
NMR is a mature technique that well established and adopted in wide range of research facilities from laboratories to hospitals. This accounts for large amounts valuable experimental data may be readily exported into standard open format. Yet the publication these faces an important issue: Raw are not made available; instead, information slimed down string characters (the list peaks). Although historical limitations technology explain this practice, it acceptable era Internet. The idea...
The human ileum contains a high density of enteroendocrine L-cells, which release the appetite-suppressing hormones glucagon-like peptide-1 (GLP-1) and peptide tyrosine (PYY) in response to food intake. Recent evidence highlighted potential role structures PYY release, but link between structures, ileal metabolites, appetite hormone remains unclear owing limited access intact ileum. In randomized crossover trial (ISRCTN11327221; isrctn.com ), we investigated GLP-1 by giving healthy...
The periodic system, which intertwines order and similarity among chemical elements, arose from knowledge about substances constituting the space. Little is known, however, how expansion of space contributed to emergence system—formulated in 1860s. Here, we show by analyzing between 1800 1869 that after an unstable period culminating around 1826, led system converge a backbone structure clearly recognizable 1840s. Hence, was already encoded for two half decades before its formulation....
We present "Ask Ernö", a self-learning system for the automatic analysis of NMR spectra, consisting integrated chemical shift assignment and prediction tools. The output component initializes improves database assigned protons that is used by predictor. In turn, predictions provided latter facilitate improvement process. Iteration on these steps allows Ask Ernö to improve its ability assign predict spectra without any prior knowledge or assistance from human experts. This concept was tested...
La infección de vías urinarias complicada es la que ocurre en alguna las estructuras del tracto urinario, pacientes con comorbilidad, o anomalías estructurales funcionales urinario. tiene un alto impacto morbilidad, mortalidad y problemática actual resistencia a los antimicrobianos, por lo resulta importancia generar directrices permitan orientar el adecuado diagnóstico tratamiento este grupo pacientes, objetivo obtener mejores desenlaces clínicos propender uso racional antibióticos....
We present a method for the automatic assignment of small molecules' NMR spectra. The includes an and novel self-consistent peak-picking routine that validates peaks in each spectrum against same or other spectra are due to resonances. auto-assignment used is based on branch-and-bound optimization relies predominantly integration correlation data; chemical shift information may be included when available fasten search shorten list viable assignments, but most cases tested, it not required...
A methodology based on spectral similarity is presented that allows to compare NMR predictors without the recourse assigned experimental spectra, thereby making task of benchmarking less tedious, faster, and prone human error. This approach was used four popular using a dataset 1000 molecules their corresponding spectra. The results found were consistent with those obtained by directly comparing deviations between predicted shifts.
Abstract Teaching spectra analysis and structure elucidation requires students to get trained on real problems. This involves solving exercises of increasing complexity when necessary using computational tools. Although desktop software packages exist for this purpose, nmr.cheminfo.org platform offers an online alternative. It provides a set tools help them. Only small number are currently available, but contributors invited submit new ones suggest types
We introduce a new approach for resolving the NMR spectra of mixtures that relies on mutual diffusion dissolved species when concentration gradient is established within tube. This achieved by cooling down biphasic mixture triethylamine and deuterated water below its mixing temperature, where single phase expected. Until equilibrium reached, concentration, from 'pure' to water, establishes The amount time required reach this controlled coefficient both species. Moreover, exists each...
Abstract Background Mucosal melanomas account for 17% of melanomas, and less than 1% affect the urogenital tract. Primary urethral melanoma is extremely rare; 200 cases have been reported so far since it was first described. The clinical presentation usually delayed, prognosis generally poor. Case presentation. An 86-year-old female referred to urology due presence a three-month-old violaceous mass in meatus protruding through vagina. On physical examination, pedunculated, hyperpigmented,...
<title>Abstract</title> Dietary interventions to combat non-communicable diseases focus on optimising food intake but overlook the influence of structure. Food processing often causes loss foodstructure, how this influences human gastrointestinal digestion and signals it generates, such as gut hormones that affect homeostatic mechanisms is unclear. In randomised cross-over study, 10 healthy participantsconsumed iso-nutrient chickpea meals with contrasting cellular structures underwent...
The periodic table organizes chemical elements into families based on their similarity, now understood through Quantum Mechanics. However, these were inferred from limited compounds in the nineteenth century. Since then, number of has exponentially grown, leading to discovery new types unknown pioneers. This situation prompts question whether can still be discerned amassed data, or if recognition is confined specific thermochemical domains. To address this inquiry, we conducted a...
Nuclear magnetic resonance (NMR) assignment of small molecules is presented as a typical example combinatorial optimization problem in chemical physics. Three strategies that help improve the efficiency solution search by branch and bound method are presented: 1. reduction size space resort to condensed structure formula, wherein symmetric nuclei grouped together; 2. partitioning based on symmetry, becomes basis for an efficient branching procedure; 3. criterion selection input restrictions...
Studies of colonization processes in past human societies o en use a standard population model which is represented as single quantity.Real populations these processes, however, are structured with internal classes or stages, and sometimes created based on social di erentiation.In this present work, information about the Old Providence Island was used to create an agent-based process heterogeneous environment for erentiation.Agents were socially divided into two modeled dissimilar spatial...
Este artigo resulta do projeto internacional ‘Entre la consolidación y descomposición de las economías campesinas. Una lectura comparada experiencias Brasil Colombia ’. Nessa primeira etapa, buscamos fazer um estudo acerca das unidades produtivas assentamento rural Chico Mendes – PE a partir da perspectiva teórica Economia Camponesa. Para obtenção dos resultados utilizamos metodologia MESMIS (Marco para Evaluación Sistemas Manejo Recursos Naturales Incorporando Indicadores Sustentabilidad)...
The Periodic Table (PT) is perhaps the most famous and widespread icon of chemistry. It orders chemical elements by their nuclear charge groups them into families according to similarity. Such arrangement was built using data about formulae few compounds available in 19th century. Since then, number has grown exponentially during 20th 21st centuries, new types have been obtained that were unknown pioneers, rising question validity generality PT. Can these patterns be extracted from current...