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Article ; Online: Synthesis, and evaluation of photophysical properties of a potential DPP-derived photosensitizer for photodynamic therapy with D-A-D architecture.

Escalona Hernández, Vanessa / Padilla-Martínez, Itzia Irene / García, Rosa Angeles Vázquez / Rodríguez, María Aurora Veloz / Hernández-Ortiz, Oscar Javier

Journal of materials science. Materials in medicine

2024 Volume 35, Issue 1, Page(s) 11

Abstract: ... through the degradation of uric acid. The results obtained by DFT using B3LYP/6-31G (d, p) and TD-DFT using CAM-B3LYP/6 ... 31G (d, p) reveal values of energy levels of the first singlet and triplet excited state that indicate ...

Abstract	The study of a macromolecule derived from DPP and triphenylamine, (DPP-BisTPA) by computational chemistry, its synthesis by direct arylation, optical characterization (UV-Vis and fluorescence) and electrochemistry (cyclic voltammetry), as well as its evaluation as a generator of reactive oxygen species indirectly, through the degradation of uric acid. The results obtained by DFT using B3LYP/6-31G (d, p) and TD-DFT using CAM-B3LYP/6-31G (d, p) reveal values of energy levels of the first singlet and triplet excited state that indicate a possible intersystem crossover and the possible generation of reactive oxygen species by a type I mechanism. The compound presents an absorption region within the phototherapeutic window. The electrochemical bandgap is 1.64 eV which suggests a behavior as a semiconductor. DPP-BisTPa were processed as hemispherical nanoparticles with a size around 100 nm, and NPOs were evaluated as a photosensitizer with a ROS generation yield of 4% using a photodynamic therapy flashlight as the light source.
MeSH term(s)	Photosensitizing Agents ; Reactive Oxygen Species ; Photochemotherapy ; Amines ; Electrochemistry
Chemical Substances	Photosensitizing Agents ; Reactive Oxygen Species ; Amines
Language	English
Publishing date	2024-02-01
Publishing country	United States
Document type	Journal Article
ZDB-ID	1031752-1
ISSN	1573-4838 ; 0957-4530
ISSN (online)	1573-4838
ISSN	0957-4530
DOI	10.1007/s10856-024-06776-0
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Article ; Online: Curvicollide D Isolated from the Fungus

Ortiz-Gonzalez, Matilde / Pérez-Victoria, Ignacio / Ramirez-Macias, Inmaculada / de Pedro, Nuria / Linde-Rodriguez, Angel / González-Menéndez, Víctor / Sanchez-Martin, Victoria / Martín, Jesús / Soriano-Lerma, Ana / Genilloud, Olga / Perez-Carrasco, Virginia / Vicente, Francisca / Maceira, José / Rodrígues-Poveda, Carlos A / Navarro-Marí, José María / Reyes, Fernando / Soriano, Miguel / Garcia-Salcedo, Jose A

International journal of molecular sciences

2022 Volume 23, Issue 11

Abstract: Sleeping sickness or African trypanosomiasis is a serious health concern with an added socio-economic impact in sub-Saharan Africa due to direct infection in both humans and their domestic livestock. There is no vaccine available against African ... ...

Abstract	Sleeping sickness or African trypanosomiasis is a serious health concern with an added socio-economic impact in sub-Saharan Africa due to direct infection in both humans and their domestic livestock. There is no vaccine available against African trypanosomes and its treatment relies only on chemotherapy. Although the current drugs are effective, most of them are far from the modern concept of a drug in terms of toxicity, specificity and therapeutic regime. In a search for new molecules with trypanocidal activity, a high throughput screening of 2000 microbial extracts was performed. Fractionation of one of these extracts, belonging to a culture of the fungus
MeSH term(s)	Animals ; Fungi ; Humans ; Trypanocidal Agents/chemistry ; Trypanocidal Agents/pharmacology ; Trypanosoma brucei brucei ; Trypanosomiasis, African/drug therapy
Chemical Substances	Trypanocidal Agents
Language	English
Publishing date	2022-05-29
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms23116107
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Article ; Online: D-A-D 2

Torres-Moya, Iván / Arrechea-Marcos, Iratxe / Tardío, Carlos / Carrillo, José R / Díaz-Ortiz, Ángel / López Navarrete, J Teodomiro / Ruiz Delgado, M Carmen / Prieto, Pilar / Ortiz, Rocío Ponce

RSC advances

2018 Volume 8, Issue 39, Page(s) 21879–21888

Abstract: A series of Donor-π-Acceptor-π-Donor compounds based on a ... ...

Abstract	A series of Donor-π-Acceptor-π-Donor compounds based on a 2
Language	English
Publishing date	2018-06-13
Publishing country	England
Document type	Journal Article
ISSN	2046-2069
ISSN (online)	2046-2069
DOI	10.1039/c8ra03246g
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Book ; Online: Mesh d-refinement

Wattel, Sacha / Molinari, Jean-François / Ortiz, Michael / Garcia-Suarez, Joaquin

a data-based computational framework to account for complex material response

2022

Abstract: ... the threshold known to trigger material non-linear response. We term this technique ``data refinement'', ``d ... that the d-refinement framework can outperform it in terms of speed at no loss of accuracy. We provide ...

Abstract	Model-free data-driven computational mechanics (DDCM) is a new paradigm for simulations in solid mechanics. The modeling step associated to the definition of a material constitutive law is circumvented through the introduction of an abstract phase space in which, following a pre-defined rule, physically-admissible states are matched to observed material response data (coming from either experiments or lower-scale simulations). In terms of computational resources, the search procedure that performs these matches is the most onerous step in the algorithm. One of the main advantages of DDCM is the fact that it avoids regression-based, bias-prone constitutive modeling. However, many materials do display a simple linear response in the small-strain regime while also presenting complex behavior after a certain deformation threshold. Motivated by this fact, we present a novel refinement technique that turns regular elements (equipped with a linear-elastic constitutive law) into data-driven ones if they are expected to surpass the threshold known to trigger material non-linear response. We term this technique ``data refinement'', ``d-refinement'' for short. Starting from an initially regular FEM mesh, the proposed algorithm detects where the refinement is needed and iterates until all elements presumed to display non-linearity become data-driven ones. Insertion criteria are discussed. The scheme is well-suited for simulations that feature non-linear response in relatively small portions of the domain while the rest remains linear-elastic. The method is validated against a traditional incremental solver (i.e., Newton-Raphson method) and we show that the d-refinement framework can outperform it in terms of speed at no loss of accuracy. We provide an application that showcases the advantage of the new method: bridging scales in architected metamaterials. Comment: 24 pages, 12 figures, 4 tables
Keywords	Condensed Matter - Materials Science
Subject code	310
Publishing date	2022-12-16
Publishing country	us
Document type	Book ; Online
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Article ; Online: VITAMIN D

López, Diego Fernando / Ríos -Borrás, Valentina / Rivera, David Alejandro / Hernández, Luis Rogelio / Ortíz, Mario Alejandro

Acta Odontológica Colombiana; Vol. 10 No. (Supl. COVID–19) (2020): COVID-19: implicaciones para la dinámica social, la práctica clínica y la enseñanza de la odontología ; Acta Odontológica Colombiana; Vol. 10 Núm. (Supl. COVID–19) (2020): COVID-19: implicaciones para la dinámica social, la práctica clínica y la enseñanza de la odontología ; 2027-7822

A prophylactic strategy in times of SARS-CoV-2. ; VITAMINA D : una estrategia profiláctica en tiempos del SARS-CoV-2. Vitamina D, SARS-CoV-2 y odontología

2020

Abstract: ... role of Vitamin D in connection with COVID-19, presenting the needs, benefits and risks of Vit D ... related to vitamin D and its intra and extra-skeletal functions, its possible relationship to SARS-CoV-2 ... and also included studies assessing vitamin D deficiency in health care workers. Results: Vitamin D ...

Abstract	Objective: to provide the clinicians and dental health staff with relevant information about the role of Vitamin D in connection with COVID-19, presenting the needs, benefits and risks of Vit D supplementation in the doses suggested in literature, to indicate preventive actions and provide patients advice to reduce the consequences of COVID-19. Method: The bibliographic search was carried out in the PubMed, Cochrane, Science Direct and Ebsco databases, between 2010 and 2020. We selected 65 references related to vitamin D and its intra and extra-skeletal functions, its possible relationship to SARS-CoV-2, and also included studies assessing vitamin D deficiency in health care workers. Results: Vitamin D deficiency is frequent in dental staff and this deficiency reduces the efficiency of immunologic defenses. There is evidence regarding a relationship between vitamin D levels and risk of severe forms of COVID-19. Conclusion: It is recommended the prophylactic use of a Vitamin D supplement for both dentists and dental patients. Objetivo: ofrecer a todo el personal de salud oral un resumen narrativo de la literatura sobre la relación entre el uso de la vitamina D y la COVID-19, a través de la presentación de los beneficios de este suplemento. Se espera aportar a ampliar el conocimiento sobre esta sustancia orgánica, en tanto herramienta profiláctica para la salud de todos. Método: La búsqueda bibliográfica se realizó en las bases de datos PubMed, Cochrane, Science Direct y Ebsco, entre los años 2010 y 2020. Se seleccionaron 65 referencias bibliográficas relacionadas con la vitamina D, sus funciones intra y extra esqueléticas y su posible relación con el SARS-CoV-2; además, se incluyenon estudios que evalúan la deficiencia de vitamina D en el personal de salud. Resultados: la revisión narrativa efectuada demuestra que la deficiencia de vitamina D es frecuente en el personal de salud y que esta deficiencia reduce la actividad defensiva inmunológica. Además, se demuestra que existe suficiente evidencia de la relación entre niveles deficientes de vitamina D en plasma y el riesgo de desarrollar formas severas de COVID-19, especialmente en población susceptible. Conclusiones: se recomienda, tanto al personal de la salud como a los pacientes, el consumo de un suplemento de vitamina D como medida profiláctica.
Keywords	Vitamina D ; Infección por Coronavirus ; COVID-19 ; Personal de Odontología ; Prevención Primaria ; Odontología ; Epidemiología ; Salud publica ; Vitamint D ; Coronavirus Infecctions ; Dentistry Staff ; Primary Prevention ; covid19
Publishing date	2020-10-30
Publisher	Universidad Nacional de Colombia - Sede Bogotá - Facultad de Odontología
Publishing country	co
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: VITAMINA D

Diego Fernando López / Valentina Ríos -Borrás / David Alejandro Rivera / Luis Rogelio Hernández / Mario Alejandro Ortíz

Acta Odontológica Colombiana, Vol 10, Iss (Supl.COVID–19) (2020)

una estrategia profiláctica en tiempos del SARS-CoV-2. Vitamina D, SARS-CoV-2 y odontología

2020

Abstract: ... sobre la relación entre el uso de la vitamina D y la COVID-19, a través de la presentación de los beneficios ... bibliográficas relacionadas con la vitamina D, sus funciones intra y extra esqueléticas y su posible relación ... con el SARS-CoV-2; además, se incluyenon estudios que evalúan la deficiencia de vitamina D en el personal ...

Abstract	Objetivo: ofrecer a todo el personal de salud oral un resumen narrativo de la literatura sobre la relación entre el uso de la vitamina D y la COVID-19, a través de la presentación de los beneficios de este suplemento. Se espera aportar a ampliar el conocimiento sobre esta sustancia orgánica, en tanto herramienta profiláctica para la salud de todos. Método: La búsqueda bibliográfica se realizó en las bases de datos PubMed, Cochrane, Science Direct y Ebsco, entre los años 2010 y 2020. Se seleccionaron 65 referencias bibliográficas relacionadas con la vitamina D, sus funciones intra y extra esqueléticas y su posible relación con el SARS-CoV-2; además, se incluyenon estudios que evalúan la deficiencia de vitamina D en el personal de salud. Resultados: la revisión narrativa efectuada demuestra que la deficiencia de vitamina D es frecuente en el personal de salud y que esta deficiencia reduce la actividad defensiva inmunológica. Además, se demuestra que existe suficiente evidencia de la relación entre niveles deficientes de vitamina D en plasma y el riesgo de desarrollar formas severas de COVID-19, especialmente en población susceptible. Conclusiones: se recomienda, tanto al personal de la salud como a los pacientes, el consumo de un suplemento de vitamina D como medida profiláctica.
Keywords	Vitamina D ; Infección por Coronavirus ; COVID-19 ; Personal de Odontología ; Prevención Primaria ; Medicine ; R ; Dentistry ; RK1-715
Language	Spanish
Publishing date	2020-10-01T00:00:00Z
Publisher	Universidad Nacional de Colombia
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Diminished Vitamin D Receptor Protein Levels in Crohn's Disease Fibroblasts: Effects of Vitamin D.

Gisbert-Ferrándiz, Laura / Cosín-Roger, Jesús / Hernández, Carlos / Macias-Ceja, Dulce C / Ortiz-Masiá, Dolores / Salvador, Pedro / Esplugues, Juan V / Hinojosa, Joaquín / Navarro, Francisco / Calatayud, Sara / Barrachina, María D

Nutrients

2020 Volume 12, Issue 4

Abstract: Vitamin D (VD) deficiency has been associated to Crohn's disease (CD) pathogenesis, and ... of these observations remains unknown. Vitamin D receptor (VDR) mediates most of the biological functions ...

Abstract	Vitamin D (VD) deficiency has been associated to Crohn's disease (CD) pathogenesis, and the exogenous administration of VD improves the course of the disease, but the mechanistic basis of these observations remains unknown. Vitamin D receptor (VDR) mediates most of the biological functions of this hormone, and we aim to analyze here the expression of VDR in intestinal tissue, epithelial cells, and fibroblasts from CD patients. The effects of VD on a fibroblast wound healing assay and murine intestinal fibrosis are also analyzed. Our data show diminished VDR protein levels in surgical resections and epithelial cells from CD patients. In intestinal fibroblasts isolated from damaged tissue of CD patients, we detected enhanced migration and decreased VDR expression compared with both fibroblasts from non-damaged tissue of the same CD patient or control fibroblasts. Treatment with VD increased VDR protein levels, avoided the accelerated migration in CD fibroblasts, and prevented murine intestinal fibrosis induced by the heterotopic transplant model. In conclusion, our study demonstrates diminished VDR protein levels associated with enhanced migration in intestinal fibroblasts from damaged tissue of CD patients. In these cells, VD accumulates VDR and normalizes migration, which supports that CD patients would benefit from the VD anti-fibrotic therapeutic value that we demonstrate in a murine experimental model.
MeSH term(s)	Animals ; Cell Movement/drug effects ; Crohn Disease/drug therapy ; Crohn Disease/etiology ; Crohn Disease/metabolism ; Crohn Disease/pathology ; Disease Models, Animal ; Epithelial Cells/metabolism ; Epithelial Cells/pathology ; Female ; Fibroblasts/metabolism ; Fibroblasts/physiology ; Fibrosis ; Gene Expression Regulation/drug effects ; Humans ; Intestines/cytology ; Intestines/pathology ; Male ; Mice, Inbred C57BL ; Receptors, Calcitriol/genetics ; Receptors, Calcitriol/metabolism ; Vitamin D/pharmacology ; Vitamin D/therapeutic use ; Vitamin D Deficiency/complications ; Wound Healing/drug effects
Chemical Substances	Receptors, Calcitriol ; Vitamin D (1406-16-2)
Language	English
Publishing date	2020-04-01
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2518386-2
ISSN	2072-6643 ; 2072-6643
ISSN (online)	2072-6643
ISSN	2072-6643
DOI	10.3390/nu12040973
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Article ; Online: Gravitational friction from d’Alembert’s principle

C. Ortiz / Raju S. Khatiwada

Scientific Reports, Vol 13, Iss 1, Pp 1-

2023 Volume 6

Abstract: ... principles based on the principle of virtual work and the d’Alembert principle. Under the formalism mentioned ...

Abstract	Abstract The least action principle played a central role in the development of modern physics. A major drawback of the principle is that its applicability is limited to holonomic constraints. In the present work, we investigate the energy lost by particles as a result of the gravitational interaction in a homogeneous low-density medium subject to non-holonomic constraints. We perform the calculation for an arbitrary particle and outline the specific result for photons. The energy lost is calculated from first principles based on the principle of virtual work and the d’Alembert principle. Under the formalism mentioned above, the dissipative nature of the effect is established. Furthermore, we show that the results agree with an alternative derivation based on continuum mechanics and the Euler–Cauchy stress principle.
Keywords	Medicine ; R ; Science ; Q
Language	English
Publishing date	2023-06-01T00:00:00Z
Publisher	Nature Portfolio
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Dermatological toxicities induced by T-cell-redirecting G protein-coupled receptor family C class 5 member D bispecific antibody talquetamab.

Lery, Marion / Perrot, Aurore / Ortiz-Brugués, Ariadna / Vigarios, Emmanuelle / Anghel, Diana / Bories, Pierre / Sibaud, Vincent

Journal of the American Academy of Dermatology

2023 Volume 90, Issue 2, Page(s) 376–377

MeSH term(s)	Humans ; T-Lymphocytes ; Protein C ; Antibodies, Bispecific/adverse effects ; Multiple Myeloma ; Receptors, G-Protein-Coupled
Chemical Substances	Protein C ; Antibodies, Bispecific ; Receptors, G-Protein-Coupled
Language	English
Publishing date	2023-09-22
Publishing country	United States
Document type	Journal Article
ZDB-ID	603641-7
ISSN	1097-6787 ; 0190-9622
ISSN (online)	1097-6787
ISSN	0190-9622
DOI	10.1016/j.jaad.2023.08.094
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Article ; Online: Unusual 1-3 peptidoglycan cross-links in Acetobacteraceae are made by L,D-transpeptidases with a catalytic domain distantly related to YkuD domains.

Alamán-Zárate, Marcel G / Rady, Brooks J / Evans, Caroline A / Pian, Brooke / Greetham, Darren / Marecos-Ortiz, Sabrina / Dickman, Mark J / Lidbury, Ian D E A / Lovering, Andrew L / Barstow, Buz M / Mesnage, Stéphane

The Journal of biological chemistry

2023 Volume 300, Issue 1, Page(s) 105494

Abstract: ... substituted by short peptide stems. Peptide stems are polymerized by D,D-transpeptidases, which make bonds ... of enzymes called L,D-transpeptidases which contain a YkuD catalytic domain. In this work, we investigate ... recombinant protein production in a heterologous host, we identify an L,D-transpeptidase enzyme with a domain ...

Abstract	Peptidoglycan is an essential component of the bacterial cell envelope that contains glycan chains substituted by short peptide stems. Peptide stems are polymerized by D,D-transpeptidases, which make bonds between the amino acid in position four of a donor stem and the third residue of an acceptor stem (4-3 cross-links). Some bacterial peptidoglycans also contain 3-3 cross-links that are formed by another class of enzymes called L,D-transpeptidases which contain a YkuD catalytic domain. In this work, we investigate the formation of unusual bacterial 1-3 peptidoglycan cross-links. We describe a version of the PGFinder software that can identify 1-3 cross-links and report the high-resolution peptidoglycan structure of Gluconobacter oxydans (a model organism within the Acetobacteraceae family). We reveal that G. oxydans peptidoglycan contains peptide stems made of a single alanine as well as several dipeptide stems with unusual amino acids at their C-terminus. Using a bioinformatics approach, we identified a G. oxydans mutant from a transposon library with a drastic reduction in 1-3 cross-links. Through complementation experiments in G. oxydans and recombinant protein production in a heterologous host, we identify an L,D-transpeptidase enzyme with a domain distantly related to the YkuD domain responsible for these non-canonical reactions. This work revisits the enzymatic capabilities of L,D-transpeptidases, a versatile family of enzymes that play a key role in bacterial peptidoglycan remodelling.
MeSH term(s)	Amino Acids/genetics ; Bacterial Proteins/chemistry ; Bacterial Proteins/genetics ; Bacterial Proteins/metabolism ; Catalytic Domain/genetics ; Peptidoglycan/chemistry ; Peptidoglycan/genetics ; Peptidoglycan/metabolism ; Peptidyl Transferases/chemistry ; Peptidyl Transferases/genetics ; Peptidyl Transferases/metabolism ; Software ; Gluconobacter oxydans/enzymology ; Gluconobacter oxydans/genetics ; Computational Biology ; Genetic Complementation Test ; Models, Molecular ; Protein Structure, Tertiary
Chemical Substances	Amino Acids ; Bacterial Proteins ; Peptidoglycan ; Peptidyl Transferases (EC 2.3.2.12)
Language	English
Publishing date	2023-11-23
Publishing country	United States
Document type	Journal Article
ZDB-ID	2997-x
ISSN	1083-351X ; 0021-9258
ISSN (online)	1083-351X
ISSN	0021-9258
DOI	10.1016/j.jbc.2023.105494
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