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Application of a Pulsed Electric Field to Modify the Free Energy of the Active Site of an Azoreductase

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Journal of Applied Mathematics and Physics 2024年第1期12卷 249-255页

作者： Jesus Magyber de Jesus Miranda Pedro Guillermo Reyes-Romero jorge mulia-rodríguez Daniel Osorio-González Molecular Biophysics Laboratory Faculty of Sciences Autonomous University of State of Mexico Toluca Mexico Advanced Physics Laboratory Faculty of Sciences Autonomous University of State of Mexico Toluca Mexico

The Gibbs free energy is strongly related to the stability and catalytic function of an enzyme through the energetic changes that occur in the chemical reactions the enzyme catalyzes. In this in silico study, a pulsed electric field was applied to an azoreductase, and its effect on the Gibbs free energy of molecular docking with two dyes was measured. We propose that certain stimuli from a pulsed electric field favor the structural stability of the enzyme by promoting an arrangement in the active site, potentially leading to an enhancement of enzymatic activity overall.

关键词： Pulsed Electric Field Molecular Dynamics Docking Azoreductase

Human Prion Protein Conformational Changes Susceptibility: A Molecular Dynamics Simulation Study

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Open Journal of Biophysics 2014年第4期4卷 169-175页

作者： Laura Alejandra Mandujano-Rosas Daniel Osorio-González Pedro Guillermo Reyes-Romero jorge mulia-rodríguez Laboratory of Molecular Biophysics Faculty of Sciences Autonomous University of State of Mexico Toluca Mexico Laboratory of Advaced Physics Faculty of Sciences Autonomous University of State of Mexico Toluca Mexico

Prion proteins are related to the development of incurable and invariably fatal neurodegenerative diseases in humans and animals. The pathogenicity involves the conversion of the host-encoded-alpha rich isoform of prion protein, PrPC, into a misfolded beta-strand rich conformer, PrPSc. Although it has already been described that many punctual mutations alter the stability of PrPC, making it more prone to adopt an abnormal misfolded structure, the majority of cases reported among general population are sporadic in wild-type organisms. Thus, in this work we studied the dynamics and stability profiles of wild-type human prion protein by Molecular Dynamics (MD) simulation at different solvent temperatures. This analysis brought out certain residues and segments of the prion protein as critical to conformational changes;these results are consistent with experimental reports showing that protein mutants in those positions are related to the development of disease.

关键词： Prion Protein Misfolding Susceptibility Molecular Dynamics Simulation

Root Sprouts of Domesticated Phaseolus coccineus L. Overwinter Plants and the Environment at Its Collection Sites

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Open Journal of Ecology 2024年第5期14卷 508-521页

作者： Ma. Luisa Patricia Vargas-Vázquez jorge Alberto Acosta-Gallegos Fabián Islas-Gutiérrez Enrique Buendía-rodríguez Campo Experimental Valle de Mé xico Instituto Nacional de Investigaciones Forestales Agr&#237colas y Pecuarias Texcoco Mexico Campo Experimental Bají o Instituto Nacional de Investigaciones Forestales Agr&#237colas y Pecuarias Guanajuato M&#233xico

Buds emerge from the roots of domesticated runner bean plants (Phaseolus coccineus L.) as sprouts and give the crop its persistence. This particularity of the species seems to be associated with the environment where the species was cultivated during long time. Data on regrowth traits were recorded on 70 accessions of domesticated P. coccineus after overwintering at a site in the central highlands of Mexico. The characteristics recorded included fresh weight of vegetative regrowth, root length, root crown diameter, and diameter of the main root. Most accessions that sprout the following spring, after the grain harvest of the previous year, come from temperate and semi-cold sites with cambisol and andosol soils in mixed Quercus pine forest and high mountain fir trees. Those that do not sprout are from sites of semiarid temperate climate, haplic phaeozem soil in shrub grasslands with deciduous broadleaved trees, and semiwarm subhumid climate, eutrophic regosol soil in deciduous broadleaved forest. Two types of roots were differentiated: branched and thickened taproots, also associated with a different climate, and the type of soil of the collection sites.

关键词： P. coccineus Distribution Vegetation-Environment Interactions Drought-Alternative Species Root-Regrowth

Detection of Progesterone Receptor as a Method of Diagnosing Mammary Cancer in Female Dogs

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Open Journal of Veterinary Medicine 2024年第8期14卷 217-227页

作者： José de Jesús Vázquez Pérez Angel Ramses Figueroa Hernandez jorge Peregrina Sandoval Guillermo Nolasco rodríguez Manuel Rosales Cortés Department of Veterinary Medicine University Center of Biological and Agricultural Sciences University of Guadalajara Zapopan Mexico Department of Cellular and Molecular Biology University Center for Biological and Agricultural Sciences University of Guadalajara Zapopan Mexico

Introduction: Canine mammary gland tumor is the most common type of neoplasia in non-ovariectomized bitches. Approximately 50% of tumors are malignant. Neoplasms originating from the mammary gland represent the most common neoplastic disease in canines in Veterinary Medicine. Aim: Relate the expression of the receptor to progesterone (PR) with the tumor stage of canine mammary carcinoma. Material and Methods: Analytical-cross-sectional study, samples of paraffinized tumor tissue obtained from 30 canine patients with breast cancer were used. The expression of PR was performed by immunohistochemical labeling, using murine anti-PR (anti-PR Biocare brand). A descriptive analysis was carried out with the results using the SPSS program. Results: The predominant histological subtype of breast cancer was tubular carcinoma with 12 patients, followed by papillary cystic carcinoma with 6 patients, solid carcinoma 5, carcinosarcoma 4 and comedocarcinoma 3. There was a significant trend between breast cancer subtypes, histological grade G1. Among the histopathological findings, the degree of invasion is related to the presence of tumor cells in adjacent lymph nodes, which is why it is a prognostic indicator. The expression of PR in the tumor tissue samples it was 42.8% positive versus 57.14% negative, of which 75% correspond to G1, 8.3% to G2 and 16.6% to G3. With respect to the relationship of the expression of PR vs type of tumor, it was found that 50% correspond to tubular carcinoma, 33.3% to papillary cystic carcinoma, 8.3% to solid carcinoma and 8.3% to comedocarcinoma. Conclusion: The hormone receptor was negative in more than half of the patients and histological grade is significantly associated with tumor subtypes, this study emphasizes the need to introduce receptor testing into our routine clinical practice to offer the best treatment for breast cancer.

关键词： Cancer Mammary Gland Progesterone Immunohistochemistry Progesterone Membrane Receptor Component 1 (PGRMC 1)

Experimental and numerical analysis of multi-chamber oscillating water column devices

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Journal of Hydrodynamics 2024年第3期36卷 492-503页

作者： jorge Gadelho Kourosh Rezanejad C.Guedes Soares Centre for Marine Technology and Ocean Engineering(CENTEC) Instituto Superior TécnicoUniversidade de LisboaAvenida Rovisco PaisLisboaPortugal

A review of multi-chamber oscillating water column(OWC)device designs is *** significant variations of these devices are discussed,onshore OWC(OOWC)and a floating OWC(FOWC).The efficiency results of several theoretical studies based on low-and high-fidelity numerical models are presented and compared with the model scale ***,low-fidelity numerical models are very fast to run,but their accuracy is limited compared with high-fidelity numerical *** model experiments usually give results much more accurate than numerical models,but they need adequate facilities and are very *** the case of the OOWC,all models show a similar trend of total efficiency,but while the analytical model shows a maximum value of around 90%efficiency,the CFD model shows 60%,and the experiments only go up to 40%.The main reason is connected with the mathematical simplifications and assumptions that do not represent all the hydrodynamic and aerodynamic processes between the water,air,and *** the case of the FOWC,interestingly,the experimental results show a maximum efficiency of almost 100%,while the analytical model only predicts a maximum of 80%.The efficiency seems highly dependent on the heave motion resonance of the entire device,where the analytical model fails to predict this natural frequency.

关键词： Wave energy converters oscillating water column(OWC) multi-chambers experimental modelling numerical modelling

Patients’dissatisfaction with multifocal intraocular lenses managed by exchange with other multifocal lenses of diferent optical profles

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Eye and Vision 2024年第1期10卷 31-40页

作者： Olena Al‑Shymali Colm McAlinden jorge L.Alio del Barrio Mario Canto‑Cerdan jorge L.Alio Research&Development Department VISSUM Innovation and Department of Cornea Cataract and Refractive SurgeryVISSUM CorporationAlicanteSpain Department of Ophthalmology Singleton HospitalSwansea Bay University Health BoardSwanseaUK Division of Ophthalmology School of MedicineVISSUM AlicanteUniversidad Miguel HernándezCalle Cabañal 103016 AlicanteSpain Cornea Cataract and Refractive Surgery DepartmentVISSUM CorporationAlicanteSpain

Background:The aim of the study was to evaluate the outcomes of dissatisfed patients reporting poor visual quality following implantation of multifocal intraocular lenses(MF-IOLs),managed by IOL exchange with another multifocal optical ***:This is a retrospective series of ***-IOL exchange was done in 15 dissatisfed patients(30 eyes)with the perception of poor visual quality for far distance afected by neuroadaptation *** underwent a bilateral exchange of a MF-IOL with another MF-IOL of a diferent optical *** outcomes and complications were *** including Quality of Vision(QoV),Visual Function Index-14(VF-14)and its Rasch-revised version(VF-8R)and a satisfaction questionnaire were also used for outcome ***:The mean elapsed time from implantation to explantation-reimplantation was 11.8 *** QoV scores improved signifcantly across all the three *** function improved with a change in VF-14 score from 60.41±24.81 to 90.16±10.91(P<0.001).The VF-8R score improved as *** uncorrected distance visual acuity improved from 0.24 to 0.12 logMAR after exchange(P<0.001)and corrected distance visual acuity improved from 0.15 to 0.04 logMAR(P<0.001).Safety and efcacy indexes reached 1.46 and 1.16,*** patients’satisfaction following MF-IOL exchange,80%of the patients reported they would have the MF-IOL reimplantation procedure ***:Patient dissatisfaction with neuroadaptation failure following MF-IOL implantation can be managed in 80%of our cases by MF-IOL exchange with a diferent MF-IOL optical profle.

关键词： Multifocal intraocular lenses IOL exchange Visual acuity Neuroadaptation failure

Electrochemical Multicomponent Cascade Radical Process Enabling Synthesis of lodomethyl Spiropyrrolidinyl-Oxindoles

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Chinese Journal of Chemistry 2024年第15期42卷 1691-1698页

作者： Jingrui He Haibo Mei jorge Escorihuela Jianlin Han Jiangsu Co-lnnovation Center of Efficient Processing and Utilization of Forest Resources College of Chemical EngineeringNanjingForestryUniversityNanjingJiangsu210037China Departamento de Quimica Organica Universitat de ValenciaAvda.Vicente Andres Estelles s/nBurjassot 46100ValenciaSpain

A novel electrochemical multicomponent cascade reaction of indole-tethered alkenes with CF_(3)SO_(2)Na and n-BuaNI has been developed,which enables the rapid assembly of spiropyrrolidinyl-oxindoles in good *** experimental results and DFT calculations suggest that this reaction proceeds through the oxidation of CF_(3)SO_(2)Na,radical coupling with alkene,spirocyclization,oxidation of sulfinate,iodide substitution,and water *** strategy features mild reaction conditions,easy-to-handle reactants,and good chemical *** finding not only enriches the research contents of indole-tethered alkenes but also provides a green strategy for the construction of spiropyrrolidinyl-oxindoles compared with the existing methodologies.

关键词： Spiropyrrolidinyl-oxindoles Electrosynthesis Indole-tethered alkenes CF_(3)SO_(2)Na DFT calculation Multicomponent reaction Radical reactions Cross-Coupling Greenchemistry

Incorporating physiological knowledge into correlative species distribution models minimizes bias introduced by the choice of calibration area

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Marine Life Science & Technology 2024年第2期6卷 349-362页

作者： Zhixin Zhang Jinxin Zhou jorge García Molinos Stefano Mammola Ákos Bede‑Fazekas Xiao Feng Daisuke Kitazawa jorge Assis Tianlong Qiu Qiang Lin CAS Key Laboratory of Tropical Marine Bio-resources and Ecology South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Guangdong Provincial Key Laboratory of Applied Marine Biology South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Marine Biodiversity and Ecological Evolution Research Center South China Sea Institute of OceanologyGuangzhou 510301China Global Ocean and Climate Research Center South China Sea Institute of OceanologyGuangzhou 510301China Institute of Industrial Science The University of Tokyo5-1-5 KashiwanohaKashiwaChiba 277-8574Japan Arctic Research Center Hokkaido UniversitySapporoHokkaido 001-0021Japan Finnish Museum of Natural History University of HelsinkiHelsinkiFinland Molecular Ecology Group(MEG) Water Research Institute(IRSA)National Research Council of Italy(CNR)28922 Verbania PallanzaItaly National Biodiversity Future Center(NBFC) PalermoItaly Institute of Ecology and Botany HUN-REN Centre for Ecological ResearchVácrátótHungary Department of Environmental and Landscape Geography ELTE Eötvös Loránd UniversityBudapestHungary Department of Biology University of North CarolinaChapel HillNC 27599USA Centre of Marine Sciences University of AlgarveCampus de GambelasFaroPortugal CAS Key Laboratory of Experimental Marine Biology Institute of OceanologyChinese Academy of SciencesQingdao 266071China University of Chinese Academy of Sciences Beijing 100049China

Correlative species distribution models(SDMs)are important tools to estimate species’geographic distribution across space and time,but their reliability heavily relies on the availability and quality of occurrence *** can be biased when occurrences do not fully represent the environmental requirement of a *** tested to what extent species’physiological knowledge might influence SDM *** on the Japanese sea cucumber Apostichopus japonicus within the coastal ocean of East Asia,we compiled a comprehensive dataset of occurrence *** then explored the importance of incorporating physiological knowledge into SDMs by calibrating two types of correlative SDMs:a naïve model that solely depends on environmental correlates,and a physiologically informed model that further incorporates physiological information as *** further tested the models’sensitivity to calibration area choices by fitting them with different buffered areas around known *** with naïve models,the physiologically informed models successfully captured the negative influence of high temperature on *** and were less sensitive to the choice of calibration *** naïve models resulted in more optimistic prediction of the changes of potential distributions under climate change(i.e.,larger range expansion and less contraction)than the physiologically informed *** findings highlight benefits from incorporating physiological information into correlative SDMs,namely mitigating the uncertainties associated with the choice of calibration *** these promising features,we encourage future SDM studies to consider species physi-ological information where available.

关键词： Bayesian approach Climate change Habitat suitability Physiological knowledge Species distribution model

Litterfall production modeling based on climatic variables and nutrient return from stands of Eucalyptus grandis Hill ex Maiden and Pinus taeda L.

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Journal of Forestry Research 2024年第5期35卷 26-36页

作者： Andrés Baietto Andrés Hirigoyen jorge Hernández Amabelia del Pino Forest Department Faculty of AgronomyUniversity of the Republic12900 MontevideoUruguay National Research Program of Forest Production National Agriculture Research InstituteINIA97000 TacuarembóUruguay Soil and Water Department Faculty of AgronomyUniversity of the Republic12900 MontevideoUruguay

Native grasslands in the Pampas of South America are increasingly being replaced by Eucalyptus and Pinus *** short rotation regimes used for the stands require high nutrient levels,with litterfall being a major source of nutrient *** model the litterfall production using climatic variables and assess the nutrient return in 14-year-old Eucalyptus grandis and Pinus taeda stands,we measured litter production over 2 years,using conical litter traps,and monitored climatic *** temperature,accumulated precipitation,and mean maximum vapor pres-sure deficit at the seasonal level influenced litterfall produc-tion by ***;seasonal accumulated precipitation and mean maximum temperature affected litterfall by *** regression tree modeling based on these climatic vari-ables had great accuracy and predictive power for ***(N=33;MAE(mean absolute error)=0.65;RMSE(root mean square error)=0.91;R^(2)=0.71)and ***(N=108;MAE=1.50;RMSE=1.59;R^(2)=0.72).The nutrient return followed a similar pattern to litterfall deposition,as well as the order of importance of macronutrients(***:Ca>N>K>Mg>P;***:N>Ca>K>Mg>P)and micronutrients(*** and ***:Mn>Fe>Zn>Cu)in both *** study constitutes a first approximation of factors that affect litterfall and nutrient return in these systems.

关键词： Afforestation Litterfall Nutrient recycling Climate modeling Myrtaceae Pinaceae