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Molecular engineering binuclear copper catalysts for selective CO_(2) reduction to C_(2) products

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Journal of Energy Chemistry 2024年第6期93卷 166-173,I0005页

作者： Qi Zhao Kai Lei Bao Yu Xia Rachel crespo-Otero Devis Di Tommaso Department of Chemistry School of Physical and Chemical SciencesQueen Mary University of LondonLondonE14NSUK Key Laboratory of Material Chemistry for Energy Conversion and Storage(Ministry of Education) Hubei Key Laboratory of Material Chemistry and Service FailureState Key Laboratory of Materials Processing and Die&Mould TechnologySchool of Chemistry and Chemical EngineeringHuazhong University of Science and Technology(HUST)Wuhan 430074HubeiChina Department of Chemistry University College LondonLondonWC1H 0AJUK Digital Environment Research Institute Queen Mary University of LondonEmpire HouseLondon E11HHUK

Molecular copper catalysts serve as exemplary models for correlating the structure-reaction-mechanism relationship in the electrochemical CO_(2) reduction(eCO_(2)R),owing to their adaptable environments surrounding the copper metal *** investigation,employing density functional theory calculations,focuses on a novel family of binuclear Cu molecular *** modulation of their coordination configuration through the introduction of organic groups aims to assess their efficacy in converting CO_(2) to C_(2)*** findings highlight the crucial role of chemical valence state in shaping the characteristics of binuclear Cu catalysts,consequently influencing the eCO_(2)R behaviour,Notably,the Cu(Ⅱ)Cu(Ⅱ)macrocycle catalyst exhibits enhanced suppression of the hydrogen evolution reaction(HER),facilitating proton trans fer and the eCO_(2)R *** rthermore,we explo re the impact of diverse electro n-withdrawing and electron-donating groups coordinated to the macrocycle(R=-F,-H,and-OCH_3)on the electron distribution in the molecular *** placement of-OCH_3 groups in the macrocycles leads to a favourable oxidation state of the Cu centres and subsequent C-C coupling to form C_(2) *** research provides fundamental insights into the design and optimization of binuclear Cu molecular catalysts for the electrochemical conversion of CO_(2) to value-added C_(2) products.

关键词： Molecular catalyst design Selective CO_(2)reduction C_(2)products Density functional theory calculations

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Security Threats to Business Information Systems Using NFC Read/Write Mode

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Computers, Materials & Continua 2021年第6期67卷 2955-2969页

作者： Sergio Rios-Aguilar Marta Beltrán gonzález-crespo Rubén Department of Organization Engineering Business Administration and StatisticsETSI InformáticosUniversidad Politécnica de Madrid(UPM)Boadilla del Monte(Madrid)28660Spain Department of Computing ETSIIUniversidad Rey Juan CarlosMóstoles(Madrid)28933Spain ESIT Universidad Internacional de La Rioja(UNIR)Logroño(La Rioja)26006Spain

Radio Frequency IDentification(RFID)and related technologies such as Near Field Communication(NFC)are becoming essential in industrial contexts thanks to their ability to perform contactless data exchange,either device-to-device or *** of the three main operation modes of NFC,called read/write mode,makes use of the latter type of *** is extensively used in business information systems that make use of NFC tags to provide the end-user with augmented information in one of several available NFC data exchange formats,such as plain text,simple URLs or enriched *** a wide variety of physical form factors,NFC-compatible tags(wireless transponders)are currently available in many locations with applications going from smart posters,contactless tokens,tap-and-go payments or transport ticketing to automated device configuration,patient identification at hospitals or inventory management within supply *** of these applications handle sensitive processes or *** paper proposes a complete security threat model for the read/write operation mode of NFC used in Next Generation Industrial IoT(Nx-IIoT)*** model,based on a wellknown methodology,STRIDE,allows developers and users to identify NFC applications vulnerabilities or weaknesses,analyze potential threats,propose risk management strategies,and design mitigation mechanisms to mention only some significant examples.

关键词： Near field communications read/write NFC security threat modelling STRIDE Nx-IIoT

Guest editorial of the special issue ‘human-centric, decentralised, and hyper automated cyber-physical systems’

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Journal of Control and Decision 2023年第1期10卷 1-2页

作者： Manju Khari Rubén gonzález crespo Hemlata Sharma Jawaharlal Nehru University New DelhiIndia Universidad Internacional de La Rioja LogronoSpain Sheffield Hallam University SheffieldUK

The emergence of affordable communication and computer technologies has brought virtual and physical space closer together in recent ***-physical systems,which are the outcome of this confluence,have changed the condition of healthcare,medicine,the environment,sustainability,transportation,and ***-Physical Systems(CPS)are a synthesis of virtual and physical *** it enables intelligent machines to exert influence on the actuators based on their interaction with the characteristics of the actual world,this technology has caused a spectacular commotion in the technological *** digital worlds’behaviours will be governed by the control loops that CPSs *** intricate models,CPS specifies the sub-system and its actions.

关键词： automated computer closer

Health care data analysis and visualization using interactive data exploration for sportsperson

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Science China(Information Sciences) 2022年第6期65卷 85-97页

作者： Hao LIU Yang ZHANG Ke LIAN Yifei ZHANG Oscar Sanjuán MARTíNEZ Rubén gonzález crespo Department of Sport and Exercise Sciences Kunsan National University Department of Naval Architecture and Ocean Engineering Ludong University Computer Science Department School of Engineering and Technology Universidad Internacional de La Rioja

Sports have scored significant attention among the public in this multifaceted world. Diverse training strategies are followed by many athletics and even flexible to adapt comfortable and optimal techniques. This fact has led physicians and educators to encourage remote health surveillance as one of the core strategies in athletic training. The need for innovative data exploration methodologies capable of facing Big Data’s influence to make remote monitoring services viable has been raised by the growing ties of networks that deliver high quantities of real-time data. This paper presents an interactive healthcare data exploration and visualization(IHDEV) model to enhance multi-scaling data analysis and visualization in the athletic health vision platform. This paper aims to simplify optimization methods to measure sportsperson muscle tension. This model illustrates a three-layer architecture with a raw data acquisition layer, data analysis layer, and visualization layer. The first layer considers the acquisition of health-related data from the athletes for remote monitoring using IoT and stores it into the cloud. The data analysis layer adapts artificial intelligence(AI) in data mining. The final layer introduces an intelligent interactive data visualization model assisted by a reactive workflow mechanism, enabling analysis and visualization solutions to be composed in a personalized data flow appropriate to the athletic training. This experimental study extended with two healthcare datasets to show the feasibility of IHDEV in promoting healthcare based athletic monitoring and improves the accuracy ratio of 96.7%, prediction ratio of 96.2%, an efficiency ratio of 96.8%, Pearson correlation coefficient of 98.2%, and reduces the error rate of 18.7% compared to other conventional models.

关键词： artificial intelligence health monitoring data visualization data analysis athletics

Fast Single Image Haze Removal Method for Inhomogeneous Environment Using Variable Scattering Coefficient

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Computer Modeling in Engineering & Sciences 2020年第6期123卷 1175-1192页

作者： Rashmi Gupta Manju Khari Vipul Gupta Elena Verdú Xing Wu Enrique Herrera-Viedma Rubén gonzález crespo Ambedkar Institute of Advanced Communication Technologies and Research New Delhi110031India Escuela Superior de Ingeniería y Tecnología Universidad Internacional de La RiojaLogroño26006Spain School of Computer Engineering and Science Shanghai UniversityShanghai200444China Escuela Técnica Superior de Ingenierías Informática y de Telecomunicación Universidad de GranadaGranada18071Spain

The images capture in a bad environment usually loses its fidelity and *** the light rays travel towards its destination they get scattered several times due to the tiny particles of fog and pollutants in the environment,therefore the energy gets lost due to multiple scattering till it arrives its destination,and this degrades the *** the images taken in bad weather appear in bad ***,single image haze removal is quite a bit tough *** research has been done in the haze removal algorithm but in all the techniques,the coefficient of scattering is taken as a constant according to the homogeneous atmosphere but in real time this does not ***,this paper introduces a simple and efficient method so that the scattering coefficient becomes variable according to the inhomogeneous ***,this research aims to remove the haze with the help of a fast and effective algorithm i.e.,Prior Color Fading,according to the inhomogeneous environmental ***,to filter the depth map,the authors used a weighted guided image filtering which removes the drawbacks of guided image *** the scattering coefficient is made variable according to the inhomogeneous atmosphere and then the Simple Color balance Algorithm is applied so that the readability property of images can be *** proposed method tested on various general outdoor images and synthetic hazy images and analyzed on various parameters Mean Square Error(MSE),Root Mean Square Error(RMSE),Peak Signal to Noise Ratio(PSNR),Mean Structural Similarity(MSSIM)and the Universal Objective Quality Index(UQI).Experimental results for the proposed method show that the proposed approach provides better results as compared to the state-of-the-art haze removal algorithms.

关键词： Image dehazing scattering coefficient simple color balance inhomogeneous environment

Morphometrics confirms the conspecific between Blaptica dubia(Serville) and B. interior Hebard(Blattodea:Blaberidae)

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Zoological Systematics 2019年第2期44卷 111-122页

作者： María Marta gonzález Alejandra del Carmen Valverde Mónica Sandra Iglesias Francisco Antonio crespo Laboratorio de Artrópodos Departamento de Biodiversidad y Biología Experimental Facultad de Ciencias Exactas y Naturales Universidad de Buenos Aires Pabellón Ⅱ Ciudad Universitaria Centro de diagnóstico e investigación en endemo-epidemias. Administración nacional de laboratorios e institutos de salud "Dr. Carlos G. Malbrán"

Blaptica dubia(Serville, 1838) and B. interior Hebard, 1921 were considered to be cryptic species. The characteristics originally proposed for their identification are not *** the relationship between the two species should be re-considered. As a comparative approach and to analyze intraspecific variability, morphological and morphometric methods were performed. Traditional and new characters such as wing shape and pronotum contour were utilized. We found significant differences between both species(p <0.05) in the shape of the wing, but there was an overlap of values. We did not find differences in the body measurements or in the shape and size of the pronotum between the species. The variability gradient does not allow an accurate identification of species neither with the male genitalia or the pronotal *** on the obtained results, B. interior Hebard 1921 is considered to be a junior synonym of B. dubia(Serville, 1838).

关键词： Cockroaches pronotum genitalia geometric morphometric analysis synonymy

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Analysis of the hydrological safety of dams combining two numerical tools:Iber and DualSPHysics

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Journal of Hydrodynamics 2018年第1期30卷 87-94页

作者： J.gonzález-Cao O.García-Feal J.M.Domínguez A.J.C.crespo M.Gómez-Gesteira Environmental Physics Laboratory (EPHYSLAB) Universidade de Vigo Campus AsLagoas

The upgrade of the hydrological safety of dams is a critical issue to avoid failures that can dramatically affect people and assets. This paper shows a numerical methodology to analyse the safety of the Belesar dam（NW, Spain） based on two different numerical codes. First, a mesh-based code named Iber, suited to deal with large 2-D domains, is used to simulate the impoundment. The initial conditions and the inlet provided to Iber correspond to the maximum water elevation and the maximum expected inflow to the impoundment defined in the technical specifications of the dam, which are associated to the more hazardous operation conditions of the dam. Iber provides information about the time needed for water to attain the crest of the dam when floodgates are closed. In addition, it also provides the velocity of discharge when gates are opened. Then, a mesh-free code named DualSPHysics, which is especially suited to deal with complex and violent 3-D flows, is used to reproduce the behaviour of one of the spillways of the dam starting from the results obtained with Iber, which are used as inlet conditions for DualSPHysics. The combined results of both model show that the left spillway can discharge the surplus of water associated to the maximum inflow to the reservoir if the gates of the spillways are opened before the overtopping of the dam was observed. In addition, water depth measured on the spillway is considerably lower than the lateral walls, preventing overtopping. Finally, velocities at different points of the spillway showed to be in good agreement with theoretical values.

关键词： Hydrological safety dam numerical simulation Iber DualSPHysics

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Clinical significance of"anti-HBc alone"in human immunodeficiency virus-positive patients

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World Journal of Gastroenterology 2009年第10期15卷 1237-1241页

作者： M~aTeresa Pérez-Rodríguez Bernardo Sopea Manuel crespo Alberto Rivera Teresa gonzález del Blanco Antonio Ocampo César Martínez-Vázquez Infectious Diseases Unit Internal Medicine DepartmentXeral-Cíes University Hospital36204 VigoSpain Faculty of Medicine University of Santiago de Compostela15705 Santiago de CompostelaA CoruaSpain Infectious Diseases Department Vall d' Hebron Hospital08035 BarcelonaSpain Microbiology Department Xeral-Cíes University Hospital36204 VigoSpain

AIM： TO determine the prevalence and clinical relevance of isolated antibodies to hepatitis B core antigen as the only marker of infection （“anti-HBc alone”） among human immunodeficiency virus （HIV） type-1 infected patients. Occult hepatitis B infection frequency was also evaluated. METHODS： Three hundred and forty eight histories from 2388 HIV-positive patients were randomly reviewed. Patients with serological markers of hepatitis B virus （HBV） infection were classified into three groups： past hepatitis, ＂anti-HBc alone＂ and chronic hepatitis. Determination of DNA from HBV, and RNA and genotype from hepatitis C virus （HCV） were performed on ＂anti-HBc alone＂ patients. RESULTS： One hundred and eighty seven （53.7%） HIV-positive patients had markers of HBV infection： 118 past infection （63.1%）, 14 chronic hepatitis （7.5%） and 55 ＂anti-HBc alone＂（29.4%）. Younger age [2.3-fold higher per every 10 years younger; 95% confidence intervals （Cl） 1.33-4.00] and antibodies to HCV infection [odds ratio （OR） 2.87; 95% CI 1.10-7.48] were factors independently associated with the ＂anti-HBc alone＂ pattern. No differences in liver disease frequency were detected between both groups. Serum levels of anti-HBs were not associated with HCV infection （nor viral replication or HCV genotype）, or with HIV replication or CD4 level. No ＂anti-HBc alone＂ patient tested positive for HBV DNA. CONCLUSION：＂Anti-HBc alone＂ prevalence in HIM- positive patients was similar to previously reported data and was associated with a younger age and with antibodies to HCV infection. In clinical practice, HBV DNA determination should be performed only in those patients with clinical or analytical signs of liver injury,

关键词： Human immunodeficiency virus "Anti-HBcalone" Occult hepatitis Hepatitis B virus DNA Liverdisease

Risk Stratification in Obstetrics: An Integrated Approach to Maternal Health

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Open Journal of Obstetrics and Gynecology 2024年第6期14卷 903-910页

作者： Taina crespo Mendonca Bianca Beatriz Soares dos Reis Júlia Cruz Coelho Antônio de Oliveira Battistini Pestana Vitória Carolina Barreto Negri Alvaro Augusto Trigo Department of Medicine University of Franca Franca Brazil

Introduction: Prenatal care is crucial for maternal and fetal health, highlighting the importance of obstetric risk stratification. This enables personalized care, avoiding unnecessary interventions and reducing costs. Conditions such as first trimester bleeding, spontaneous abortion, gestational trophoblastic disease, and ectopic pregnancy require specific approaches. Early identification of these complications is vital, especially in urgent and emergency obstetric cases, which demand immediate hospital attention. Objective: Comprehensive review of first trimester pathologies and gestational hypertension, focusing on obstetric risks and personalized prenatal management. Methods: Literature review on bleeding and gestational hypertension. Results: The study provides a detailed analysis of pathologies associated with first trimester uterine bleeding and hypertensive disorders, focusing on obstetric risk stratification. The main causes of maternal and fetal mortality are hypertensive disorders, hemorrhages, infections, childbirth complications, and abortion. Spontaneous abortion is common, with different classifications, ranging from threatened to missed abortion. Infected abortion is a severe complication. Brazil has restrictive abortion laws, but many unsafe abortions occur, resulting in high public health costs. Pharmacological treatment with misoprostol is a safe option. Other pathologies include gestational trophoblastic disease, ectopic pregnancy, and placenta previa. Preeclampsia and eclampsia are severe conditions requiring immediate treatment to avoid complications. Conclusion: Early identification and management of obstetric risk factors, such as uterine bleeding, are essential for positive maternal and fetal outcomes. A multidisciplinary approach is fundamental.

关键词： Obstetrics Emergencies Hypertension Pregnancy-Induced Uterine Hemorrhage Pregnancy Trimester First