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Article ; Online: Steady Advance Toward Fully Percutaneous Treatment for Multivalvular Heart Disease.

Cortés, Carlos

2020 Volume 13, Issue 23, Page(s) 2792–2794

MeSH term(s)	Aortic Valve/surgery ; Aortic Valve Stenosis/surgery ; Humans ; Mitral Valve Insufficiency ; Registries ; Transcatheter Aortic Valve Replacement ; Treatment Outcome
Language	English
Publishing date	2020-12-10
Publishing country	United States
Document type	Editorial ; Comment
ZDB-ID	2452157-7
ISSN	1876-7605 ; 1936-8798
ISSN (online)	1876-7605
ISSN	1936-8798
DOI	10.1016/j.jcin.2020.08.002
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Article: Unraveling the Interplay of Physical-Chemical Factors Impacting the Carbonation Performance of Recycled Aggregate Concrete.

Pico-Cortés, Carlos / Villagrán-Zaccardi, Yury

Materials (Basel, Switzerland)

2023 Volume 16, Issue 16

Abstract: Recycled aggregate concrete (RAC) includes recycled concrete aggregates (coarse and/or fine) as substitutes for natural aggregates as an approach to achieving a circular economy. Some concerns remain about its performance, including the carbonation ... ...

Abstract	Recycled aggregate concrete (RAC) includes recycled concrete aggregates (coarse and/or fine) as substitutes for natural aggregates as an approach to achieving a circular economy. Some concerns remain about its performance, including the carbonation resistance. The higher porosity of recycled concrete aggregates is logically a disadvantage, but the analysis must address many other factors. This paper provides an in-depth examination of recent advances in the carbonation performance of RAC. The emphasis is on factors that influence CO
Language	English
Publishing date	2023-08-19
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2487261-1
ISSN	1996-1944
ISSN	1996-1944
DOI	10.3390/ma16165692
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Advective transport of solids from a marine fish-rearing tank using gravity-driven effluent pipelines with various flow regimes

Cortés, Carlos / Barraza, Joel / Merino, German E.

Aquacultural engineering. 2022 May, v. 97

2022

Abstract: Comprehending how a given water flow hydraulic regime will affect particle settling velocity and particle size after being advectively transported in a gravity-driven effluent pipeline is paramount for the design of any land-based rearing system. ... ...

Abstract	Comprehending how a given water flow hydraulic regime will affect particle settling velocity and particle size after being advectively transported in a gravity-driven effluent pipeline is paramount for the design of any land-based rearing system. Suspended solids generated by the punctuated snake-eel Ophichthus remiger were analyzed to characterize the settling velocities and particle size properties. At a particular Reynolds number, hydraulic conditions are characterized as turbulent, transitional, or laminar. Suspended solids were tested for three hydraulic conditions during their advective transport when leaving the rearing tank through gravity-driven hydraulic effluent pipelines. The three hydraulic conditions were defined by the Reynolds number as transitional for 2862 Re, turbulent-1 for 5106 Re, and turbulent-2 for 8304 Re. When increasing water turbulence, while advectively transporting suspended solids produced by punctuated snake-eel O. remiger from the rearing tank to a single effluent pipeline of uniform diameter towards a delivery point, the results showed that suspended solids reduced their settling velocity up to nine times and particle size up to two times. These variations in settling velocities and particle size during advective transport would affect the efficacy of suspended solids removal devices in a given rearing system. As a result, it is recommended that land-based aquaculture systems should consider designing their rearing tank gravity-driven effluent pipelines under transitional or turbulent-1 flow conditions, avoiding the turbulent-2 flow zone.
Keywords	Ophichthus ; Reynolds number ; particle size ; turbulent flow ; water flow
Language	English
Dates of publication	2022-05
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	782663-1
ISSN	0144-8609
ISSN	0144-8609
DOI	10.1016/j.aquaeng.2022.102239
Database	NAL-Catalogue (AGRICOLA)

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Article: Settling velocity and particle size bioengineering parameters gathered from solids generated by wild-caught premature punctuated snake-eels (Ophichthus remiger) reared in a marine prototype recirculating aquaculture system

Cortés, Carlos / Merino, Germán E

Aquacultural engineering. 2020 Aug., v. 90

2020

Abstract: This research reveals the applied engineering basis for determining the particle size and settling velocity distributions of solids generated while rearing wild-caught premature punctuated snake-eels (Ophichthus remiger) in a prototype recirculating ... ...

Abstract	This research reveals the applied engineering basis for determining the particle size and settling velocity distributions of solids generated while rearing wild-caught premature punctuated snake-eels (Ophichthus remiger) in a prototype recirculating aquacultural system. Settled solids were sampled from the bottom of the rearing tanks, and suspended solids were sampled before filtration within the drum filter and analyzed to characterize their settling velocity and particle size properties. These particle properties are considered bioengineering parameters since they will provide biological information to improve engineering solutions for RAS solids removal processes. The average settling velocity for the settleable solids in the rearing tanks was 2.89 ± 0.02 cm s⁻¹, and the average particle size ranged between 7.32 ± 3.41 and 19.44 ± 8.58 mm. Suspended solids within the drum filters before filtration had an average settling velocity of 0.35 ± 0.11 cm s⁻¹ and it was found that 69.93 % of the particles size was greater than 200 μm, 15.40 % were within the range of 120 μm and 90 μm sizes, and 6.53 % were between 70 μm and 40 μm sizes. The particle physical properties, settling curves, and particle sizes curves obtained from this experience represent valuable information to be used to improve engineering design of solids handling mechanisms, especially in marine land-based systems, and in this case, applied for rearing wild-caught punctuated snake-eels. The present investigation constitutes an advance in the knowledge of applied engineering to the design of a marine aquaculture fattening operation targeted to feed up wild-caught premature punctuated snake-eels to the point of sale or trade.
Keywords	Ophichthus ; aquacultural engineering ; bioengineering ; design ; filters ; filtration ; finishing ; information ; knowledge ; mariculture ; particle size ; prototypes ; rearing ; recirculating aquaculture systems ; solids ; solutions ; tanks ; total suspended solids ; trade ; velocity
Language	English
Dates of publication	2020-08
Publishing place	Elsevier B.V.
Document type	Article
Note	NAL-light
ZDB-ID	782663-1
ISSN	0144-8609
ISSN	0144-8609
DOI	10.1016/j.aquaeng.2020.102102
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery.

Nelen, Jochem / Carmena-Bargueño, Miguel / Martínez-Cortés, Carlos / Rodríguez-Martínez, Alejandro / Villalgordo-Soto, José Manuel / Pérez-Sánchez, Horacio

Journal of chemical information and modeling

2024 Volume 64, Issue 5, Page(s) 1605–1614

Abstract: Drug development is a complex, costly, and time-consuming endeavor. While high-throughput screening (HTS) plays a critical role in the discovery stage, it is one of many factors contributing to these challenges. In certain contexts, virtual screening can ...

Abstract	Drug development is a complex, costly, and time-consuming endeavor. While high-throughput screening (HTS) plays a critical role in the discovery stage, it is one of many factors contributing to these challenges. In certain contexts, virtual screening can complement the HTS, potentially offering a more streamlined approach in the initial stages of drug discovery. Molecular docking is an example of a popular virtual screening technique that is often used for this purpose; however, its effectiveness can vary greatly. This has led to the use of consensus docking approaches that combine results from different docking methods to improve the identification of active compounds and reduce the occurrence of false positives. However, many of these methods do not fully leverage the latest advancements in molecular docking. In response, we present ESSENCE-Dock (Effective Structural Screening ENrichment ConsEnsus Dock), a new consensus docking workflow aimed at decreasing false positives and increasing the discovery of active compounds. By utilizing a combination of novel docking algorithms, we improve the selection process for potential active compounds. ESSENCE-Dock has been made to be user-friendly, requiring only a few simple commands to perform a complete screening while also being designed for use in high-performance computing (HPC) environments.
MeSH term(s)	Molecular Docking Simulation ; Consensus ; Drug Discovery/methods ; Algorithms ; High-Throughput Screening Assays ; Ligands
Chemical Substances	Ligands
Language	English
Publishing date	2024-02-28
Publishing country	United States
Document type	Journal Article
ZDB-ID	190019-5
ISSN	1549-960X ; 0095-2338
ISSN (online)	1549-960X
ISSN	0095-2338
DOI	10.1021/acs.jcim.3c01982
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Article ; Online: Mechanisms for cardiac calcium pump activation by its substrate and a synthetic allosteric modulator using fluorescence lifetime imaging.

Šeflová, Jaroslava / Cruz-Cortés, Carlos / Guerrero-Serna, Guadalupe / Robia, Seth L / Espinoza-Fonseca, L Michel

PNAS nexus

2023 Volume 3, Issue 1, Page(s) pgad453

Abstract: The discovery of allosteric modulators is an emerging paradigm in drug discovery, and signal transduction is a subtle and dynamic process that is challenging to characterize. We developed a time-correlated single photon-counting imaging approach to ... ...

Abstract	The discovery of allosteric modulators is an emerging paradigm in drug discovery, and signal transduction is a subtle and dynamic process that is challenging to characterize. We developed a time-correlated single photon-counting imaging approach to investigate the structural mechanisms for small-molecule activation of the cardiac sarcoplasmic reticulum Ca
Language	English
Publishing date	2023-12-22
Publishing country	England
Document type	Journal Article
ISSN	2752-6542
ISSN (online)	2752-6542
DOI	10.1093/pnasnexus/pgad453
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Article ; Online: An Interpretable Machine Learning Approach to Predict Sensory Processing Sensitivity Trait in Nursing Students.

Ponce-Valencia, Alicia / Jiménez-Rodríguez, Diana / Hernández Morante, Juan José / Martínez Cortés, Carlos / Pérez-Sánchez, Horacio / Echevarría Pérez, Paloma

European journal of investigation in health, psychology and education

2024 Volume 14, Issue 4, Page(s) 913–928

Abstract: Sensory processing sensitivity (SPS) is a personality trait that makes certain individuals excessively sensitive to stimuli. People carrying this trait are defined as Highly Sensitive People (HSP). The SPS trait is notably prevalent among nursing ... ...

Abstract	Sensory processing sensitivity (SPS) is a personality trait that makes certain individuals excessively sensitive to stimuli. People carrying this trait are defined as Highly Sensitive People (HSP). The SPS trait is notably prevalent among nursing students and nurse staff. Although there are HSP diagnostic tools, there is little information about early detection. Therefore, the aim of this work was to develop a prediction model to identify HSP and provide an individualized nursing assessment. A total of 672 nursing students completed all the evaluations. In addition to the HSP diagnosis, emotional intelligence, communication skills, and conflict styles were evaluated. An interpretable machine learning model was trained to predict the SPS trait. We observed a 33% prevalence of HSP, which was higher in women and people with previous health training. HSP were characterized by greater emotional repair (
Language	English
Publishing date	2024-04-02
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	3041279-1
ISSN	2254-9625 ; 2174-8144
ISSN (online)	2254-9625
ISSN	2174-8144
DOI	10.3390/ejihpe14040059
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Article ; Online: Primary Nocardia brain abscesses and role of intraventricular antibiotic therapy.

Rico Pereira, Marta / Asencio Cortés, Carlos

Clinical neurology and neurosurgery

2021 Volume 208, Page(s) 106846

Abstract: Intracranial infections caused by Nocardia Farcinica are challenging to treat and potentially lethal because of the organism's tendency to resist antibiotics and high relapse rates. Such infections usually occur in immunocompromised patients who have ... ...

Abstract	Intracranial infections caused by Nocardia Farcinica are challenging to treat and potentially lethal because of the organism's tendency to resist antibiotics and high relapse rates. Such infections usually occur in immunocompromised patients who have predisposing factors. Nocardia brain abscesses carry a higher morbidity and mortality rate than other bacterial brain abscesses, with reported mortality rates of 55% (even up to 90% in cases of late diagnosis) in immunocompromised patients. An aggressive therapeutic approach is required and an early identification of the microorganism is paramount. Given the high microbial resistance, it is usually an infection with a low cure rate. We present the case of a patient with primary brain abscesses due to Nocardia Farcinica, successfully treated with intrathecal Amikacin administration through ventricular drain, in addition to surgical evacuation and intravenous antibiotic therapy. In this case, clinical and radiological improvement were observed once the intrathecal treatment was started. To our best knowledge, no cases of intraventricular use of Amikacin have been previously reported to treat this type of infection and we believe that it may be useful in properly selected patients.
MeSH term(s)	Aged ; Amikacin/administration & dosage ; Amikacin/therapeutic use ; Anti-Bacterial Agents/administration & dosage ; Anti-Bacterial Agents/therapeutic use ; Brain/diagnostic imaging ; Brain/microbiology ; Brain Abscess/diagnostic imaging ; Brain Abscess/drug therapy ; Brain Abscess/microbiology ; Humans ; Infusions, Intraventricular ; Magnetic Resonance Imaging ; Male ; Nocardia ; Nocardia Infections/complications ; Nocardia Infections/diagnostic imaging ; Nocardia Infections/drug therapy ; Treatment Outcome
Chemical Substances	Anti-Bacterial Agents ; Amikacin (84319SGC3C)
Language	English
Publishing date	2021-07-27
Publishing country	Netherlands
Document type	Case Reports ; Journal Article
ZDB-ID	193107-6
ISSN	1872-6968 ; 0303-8467
ISSN (online)	1872-6968
ISSN	0303-8467
DOI	10.1016/j.clineuro.2021.106846
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Article ; Online: Enhancing MD simulations: ASGARD's automated analysis for GROMACS.

Rodríguez-Martínez, Alejandro / Nelen, Jochem / Carmena-Bargueño, Miguel / Martínez-Cortés, Carlos / Luque, Irene / Pérez-Sánchez, Horacio

Journal of biomolecular structure & dynamics

2024 , Page(s) 1–13

Abstract: Molecular Dynamics (MD) simulations are essential in analyzing the physical movement of molecules, with GROMACS being a widely recognized open-source package for this purpose. However, conducting analyses individually in GROMACS can take excessive time ... ...

Abstract	Molecular Dynamics (MD) simulations are essential in analyzing the physical movement of molecules, with GROMACS being a widely recognized open-source package for this purpose. However, conducting analyses individually in GROMACS can take excessive time and effort. Addressing this challenge, we introduce ASGARD, an innovative workflow designed to streamline and automate the analysis of MD simulation of protein or protein-ligand complex. Unlike the traditional, manual approach, ASGARD enables researchers to generate comprehensive analyses with a single command line, significantly accelerating the research process and avoiding the laborious task of manual report generation. This tool automatically performs a range of analyses post-simulation, including system stability and flexibility assessments through RMSD Fluctuation and Distribution calculations. It further provides dynamic analysis using SASA, DSSP method graphs, and various interaction analyses. A key feature of ASGARD is its user-friendly design; it requires no additional installations or dependencies, making it highly accessible for researchers. In conclusion, ASGARD simplifies the MD simulation analysis process and substantially enhances efficiency and productivity in molecular research by providing an integrated, one-command analysis solution.Communicated by Ramaswamy H. Sarma.
Language	English
Publishing date	2024-05-16
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2024.2349527
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Book ; Online: Fighting the disagreement in Explainable Machine Learning with consensus

Banegas-Luna, Antonio Jesus / Martınez-Cortes, Carlos / Perez-Sanchez, Horacio

2023

Abstract: Machine learning (ML) models are often valued by the accuracy of their predictions. However, in some areas of science, the inner workings of models are as relevant as their accuracy. To understand how ML models work internally, the use of ... ...

Abstract	Machine learning (ML) models are often valued by the accuracy of their predictions. However, in some areas of science, the inner workings of models are as relevant as their accuracy. To understand how ML models work internally, the use of interpretability algorithms is the preferred option. Unfortunately, despite the diversity of algorithms available, they often disagree in explaining a model, leading to contradictory explanations. To cope with this issue, consensus functions can be applied once the models have been explained. Nevertheless, the problem is not completely solved because the final result will depend on the selected consensus function and other factors. In this paper, six consensus functions have been evaluated for the explanation of five ML models. The models were previously trained on four synthetic datasets whose internal rules were known in advance. The models were then explained with model-agnostic local and global interpretability algorithms. Finally, consensus was calculated with six different functions, including one developed by the authors. The results demonstrated that the proposed function is fairer than the others and provides more consistent and accurate explanations. Comment: 21 pages, 7 figures
Keywords	Computer Science - Machine Learning ; Computer Science - Artificial Intelligence
Subject code	006
Publishing date	2023-07-03
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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