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Journal of Earth Science 2024年

作者： flores daniel germán OCA?A Raúl Emmanuel MELIán Edgardo ORTEG Andrés ESPER AnGILLIERI María Yanina PITTALUGA María Alejandra CIGEOBIO (COnICET-UnSJ) Av.José I.de la Roza y Meglioli Gabinete de Geología Ambiental， InGEO， Universidad nacional de San Juan， Av.José I.de la Roza y Meglioli

The Monte Desert is characterized by a great diversity of landforms created with fluvial， alluvial which the vegetation patterns are related to. The present work has the following objectives: 1: determine whether topographical attributes， surface characteristics， soil properties and vegetation patterns vary between alluvial landforms， and 2: define whether morphometric， soil and surface properties influence vegetation patterns along alluvial landscape. Morphometric data were obtained by processing a 5 m digital elevation model. The coverage of rock fragments， fine sediments and mulch was quantified. Observations and descriptions of the soil profiles were restricted to the uppermost 50 cm. Vegetation properties were calculated using a Point Quadrat Method. The relationship between variables was evaluated through multivariate statistical analysis. The main results show the presence of 45 plant species distributed in 19 families， where shrubs are dominant. The wind effect， topographic wetness and dissection of the landscape are limiting factors of diversity. The coverage of superficial rock fragments influence vegetation coverage through the distribution and availability of rainwater. Furthermore， the different soil textures reveal that the silt content favors an increase in vegetation coverage. The presence of V horizon could condition the installation and development of vegetation in the early stages of growth.

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non-Darcy Flow in Molding Sands

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Open Journal of Applied Sciences 2024年第4期14卷 976-982页

作者： Miguel A. Barron-Meza Joan Reyes-Miranda daniel flores-Sanchez Departamento de Materiales Universidad Autonoma Metropolitana Azcapotzalco Ciudad de Mexico Mexico

Darcy’s law is widely used to describe the flow in porous media in which there is a linear relationship between fluid velocity and pressure gradient. However, it has been found that for high numbers of Reynolds this law ceases to be valid. In this work, the Ergun equation is employed to consider the non-linearity of air velocity with the pressure gradient in casting sands. The contribution of non-linearity to the total flow in terms of a variable defined as a non-Darcy flow fraction is numerically quantified. In addition, the influence of the shape factor of the sand grains on the non-linear flow fraction is analyzed. It is found that for values of the Reynolds number less or equal than 1, the contribution of non-linearity for spherical particles is around 1.15%.

关键词： Darcy’s Law Molding Sands non-Darcy Flow Reynolds number Shape Factor

Low-Cost and Biodegradable Thermoelectric Devices Based on van der Waals Semiconductors on Paper Substrates

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Energy & Environmental Materials 2024年第1期7卷 201-206页

作者： Gulsum Ersu Carmen Munuera Federico J.Mompean daniel Vaquero Jorge Quereda João Elias F.S.Rodrigues Jose A.Alonso Eduardo flores Jose R.Ares Isabel J.Ferrer Abdullah M.Al-Enizi Ayman nafady Sruthi Kuriakose Joshua O.Island Andres Castellanos-Gomez Materials Science Factory Instituto de Ciencia de Materiales de Madrid(ICMM-CSIC)Madrid E-28049Spain nanotechnology Group USAL-NanolabUnivesidad de SalamancaSalamanca Junta de Castilla y León 37007Spain GISC Departamento de Física de MaterialesUniversidad Complutense de MadridMadrid E-28040Spain Departamento de Física Aplicada Centro de Investigación y Estudios AvanzadosMérida 97310Mexico MIRE Group Departamento de Física de MaterialesUniversidad Autónoma de MadridMadrid E-28049Spain Instituto nicolás Cabrera Universidad Autónoma de MadridMadrid E-28049Spain Department of Chemistry College of ScienceKing Saud UniversityRiyadh 11451Saudi Arabia Department of Physics and Astronomy University of Nevada Las VegasLas Vegas NV 89154USA

We present a method to fabricate handcrafted thermoelectric devices on standard office paper *** devices are based on thin films of WS_(2),Te,and BP(P-type semiconductors)and TiS_(3)and TiS_(2)(n-type semiconductors),deposited by simply rubbing powder of these materials against *** thermoelectric properties of these semiconducting films revealed maximum Seebeck coefficients of(+1.32±0.27)mV K^(-1)and(-0.82±0.15)mV K^(-1)for WS_(2)and TiS_(3),***,Peltier elements were fabricated by interconnecting the P-and n-type films with graphite electrodes.A thermopower value up to 6.11 mV K^(-1)was obtained when the Peltier element were constructed with three *** findings of this work show proof-of-concept devices to illustrate the potential application of semiconducting van der Waals materials in future thermoelectric power generation as well as temperature sensing for low-cost disposable electronic devices.

关键词： paper-based electronics Seebeck effect semiconductors thermoelectrics van der Waals materials

Association between Helicobacter pylori infection,mismatch repair,HER2 and tumor-infiltrating lymphocytes in gastric cancer

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World Journal of Gastrointestinal Oncology 2024年第6期16卷 2487-2503页

作者： Carlos A Castaneda Miluska Castillo Luis A Bernabe Joselyn Sanchez Matteo Fassan Katherine Tello Ignacio Ivan Wistuba Ivan Chavez Passiuri Eloy Ruiz Juvenal Sanchez Fernando Barreda daniel Valdivia Yaqueline Bazan Milagros Abad-Licham Claudio Mengoa Hugo Fuentes Paola Montenegro Ebert Poquioma Raul Alatrista Claudio J flores Luis Taxa Faculty of Health Sciences Universidad Cientifica del SurLima 15038Peru GECO PERU Grupo de Estudios Clinicos Oncologicos del PeruLima 15038Peru Department of Research Instituto Nacional de Enfermedades NeoplasicasLima 15038Peru Faculty of Human Medicine Universidad Ricardo PalmaLima 15039Peru Department of Medicine Surgical Pathology&Cytopathology UnitUniversity of PaduaPadua 35121Italy Department of Translational Molecular Pathology The University of Texas MD Anderson Cancer CenterHoustonTX 77030United States Department of Abdominal Surgery Instituto Nacional de Enfermedades NeoplasicasLima 15038Peru Department of Pathology Instituto Nacional de Enfermedades NeoplasicasLima 15038Peru Department of Medical Specialties Instituto Nacional de Enfermedades NeoplasicasLima 15038Peru Department of Pathology Instituto Regional de Enfermedades Neoplasicas del NorteTrujillo 13001Peru Faculty of Human Medicine Universidad Privada Antenor OrregoTrujillo 13008Peru Department of Surgery Instituto Regional de Enfermedades Neoplasicas del SurArequipa 04002Peru Department of Medical Oncology Instituto Nacional de Enfermedades NeoplasicasLima 15038Peru Department of Epidemiology Instituto Nacional de Enfermedades NeoplasicasLima 15038Peru Unidad de Investigación Básica y Traslacional Oncosalud-AUNALima 15038Peru Faculty of Medicine Universidad San Martin de PorresLima 15008Peru

BACKGROUnD The influence of Helicobacter-pylori(***)infection and the characteristics of gastric cancer(GC)on tumor-infiltrating lymphocyte(TIL)levels has not been extensively *** of infiltrating-immune-cell subtypes as well as survival is necessary to obtain comprehensive *** To determine the rates of deficient mismatch-repair(dMMR),HER2-status and *** infection and their association with TIL levels in *** Samples from 503 resected GC tumors were included and TIL levels were evaluated following the international-TILs-working-group recommendations with assessment of the intratumoral(IT),stromal(ST)and invasive-border(IB)*** density of CD3,CD8 and CD163 immune cells,and dMMR and HER2-status were determined by immunohistochemistry(IHC).*** infection was evaluated by routine histology and quantitative PCR(qPCR)in a subset of *** dMMR was found in 34.4%,HER2+in 5%and ***-positive in 55.7%of *** IT-TIL was associated with grade-3(P=0.038),while ST-TIL with grade-1(Pntestinal-histology(Pnd no-recurrence(P=0.003).dMMR was associated with high TIL levels in the ST(P=0.019)and IB(P=0.01)compartments,and STCD3(P=0.049)and ST-CD8(P=0.05)***2-was associated with high IT-CD8(P=0.009).*** was associated with high IT-TIL levels(P=0.009)when assessed by routine-histology,and with high TIL levels in the 3 compartments(P=0.002-0.047)and CD8 density in the IT and ST compartments(P=0.001)when assessed by qPCR.A longer overall survival was associated with low IT-CD163(P=0.003)and CD8/CD3(P=0.001 in IT and P=0.002 in ST)and high IT-CD3(P=0.021),ST-CD3(P=0.003)and CD3/CD163(P=0.002).COnCLUSIOn TIL levels were related to dMMR and *** CD8/CD3 and high CD163/CD3 were associated with lower recurrence and longer survival.

关键词： Lymphocytes Macrophages Gastric cancer Helicobacter pylori HER2 Mismatch repair

Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors

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Computational Molecular Bioscience 2020年第4期10卷 111-128页

作者： norma flores-Holguín daniel Glossman-Mitnik Laboratorio Virtual nAnOCOSMOS Departamento de Medio Ambiente y Energía Centro de Investigación en Materiales Avanzados Miguel de Cervantes 120 Complejo Industrial Chihuahua Chihuahua Mexico

nowadays, the main effort of the scientific community is focused on the search of specific drugs for the inhibition of the Severe Acute Respiratory Syndrome—Coronavirus 2 (SARS-CoV-2), which is responsible for the Coro-navirus Disease 19 or COVID-19. With the same objective in mind, a Molecular Docking study was performed in this work in order to discover information about some antiviral drugs of common use as protease inhibitors. As a complement of this research, a chemical reactivity study of these potential drugs was done with the aim of finding a relationship between the inhibition ability and the chemical reactivity. The results presented in this research constitute one of the first predictions aimed to identify the best potential compounds for this purpose while at the same time verifying the validity of the employed theoretical and computational methodology. By means of the analysis of the number of hydrogen bonds as well as the binding energies coming from the Molecular Docking study, it can be said that Telaprevir, nelfinavir and Indinavir have the highest probability of success as potential inhibitors of SARS-CoV-2.

关键词： SARS-CoV-2 Molecular Docking DFT Binding Energy Conceptual DFT

Exploring the adjustment to parasite pressure hypothesis: differences in uropygial gland volume and haemosporidian infection in palearctic and neotropical birds

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Current Zoology 2021年第2期67卷 147-156页

作者： Sergio MAGALLAnES Anders Pape MøLLER Charlene LUJÁn-VEGA Esteban FOnG daniel VECCO Wendy flores-SAAVEDRA Luz GARCÍA-LOnGORIAA Florentino DE LOPE JoséA.IAnnACOnE Alfonso MARZAL Department of Anatomy Cellular Biology and ZoologyUniversity of ExtremaduraAvda.de Elvas S/NBadajoz ES-06006Spain Ecologie Systématique Evolution UniversitéParis-SudOrsay 91400France Key Laboratory for Biodiversity Science and Ecological Engineering of Ministry of Education College of Life SciencesBeiing Normal UniversityBeiing 100875China Pharmacology and Toxicology Graduate Group University of CaliforniaDavisDavisCA 95616USA EverGreen Institute-San Rafael Distrito de IndianaLoreto 16200Perú Centro Urku de Estudios Amazónicos Tarapoto 22202Perú Universidad nacional Agraria La Molina Lima 15024Perú Molecular Ecology and Evolution Lab Department of BiologyLund UniversityLund 22100Sweden Laboratorio de Ingenieria Ambiental Universidad Cientifica del Sur-Villa el SalvadorLima 15067Perú Laboratorio de Invertebrados Universidad Ricardo PalmaSantiago de Surco 15039Perú

Parasites are globally widespread pathogenic organisms,which impose im portant selective forces upon their ***,in accordance with the A djustm ent to parasite pressure hypothesis,it is expected that defenses among hosts vary relative to the selective pressure imposed by *** to the latitudinal gradient in diversity,species richness and abundance of parasites peak near the *** uropygial gland is an im portant defensive exocrine gland against pathogens in *** of the uropygial gland has been proposed to vary among species of birds because of divergent selection by pathogens on their ***,we should expect that bird species from the tropics should have relatively larger uropygial glands for their body size than species from higher ***,this hypothesis has not yet been ***,we analyze the size of the uropygial gland of 1719 individual birds belonging to 36 bird species from 3 neotropical(Peru)and 3 temperate areas(Spain).Relative uropygial gland volum e was 12.52%larger in bird species from the tropics than from temperate *** finding is consistent w ith the relative size of this defensive organ being driven by selective pressures imposed by *** also explored the potential role of this gland as a means of avoiding haemosporidian infection,showing that species with large uropygial glands for their body size tend to have lower mean prevalence of haemosporidian infection,regardless o f their geographical *** result provides additional support for the assum ption that secretions from the uropygial gland reduce the likelihood of becoming infected with haemosporidians.

关键词： adjustment to parasite pressure hypothesis malaria neotropical region preen oil temperate region

Computational Chemistry and Molecular Modeling Techniques for the Study of Micropeptin EI-964: Insights into Its Chemical Reactivity and Potential Pharmaceutical Properties

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Computational Molecular Bioscience 2023年第3期13卷 35-47页

作者： norma flores-Holguín Juan Frau daniel Glossman-Mitnik Laboratorio Virtual nAnOCOSMOS Departamento de Medio Ambiente y Energía Centro de Investigación en Materiales Avanzados Chihuahua Mexico Departament de Química Facultat de Ciències Universitat de les Illes Balears Palma de Mallorca Spain

Micropeptin EI-964 is a cyclic peptide compound isolated from a marine cyanobacterium with potent inhibitory activity against serine proteases, particularly chymotrypsin and trypsin. It has shown promising activity against various cancer cell lines, making it a candidate for drug development. The unique structure and activity of Micropeptin EI-964 make it a promising lead compound for the development of novel serine protease inhibitors and anti-cancer drugs. Computational Chemistry and Molecular Modeling techniques can provide valuable insights into the chemical reactivity and pharmaceutical properties of Micropeptin EI-964, guiding the design and development of new compounds with enhanced bioactivity and improved drug-like properties.

关键词： Micropeptin EI-964 Chemical Reactivity Conceptual DFT Computational Pharmacokinetics Pharmaceutical Drugs

Comparative study on simultaneous removal of calcium and sulfate ions from flotation recycling water by aluminum hydroxide

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Transactions of nonferrous Metals Society of China 2022年第7期32卷 2379-2390页

作者： Ángel daniel GUERRERO-flores Martha Araceli ELIZOnDO-ÁLVAREZ JoséManuel flores-ÁLVAREZ Alejandro URIBE-SALAS Department of Metallurgical Engineering CINVESTAV-IPNUnidad Saltillo25900Ramos ArizpeCoahuilaMéxico Department of Materials Unidad Académica de Ingeniería IUniversidad Autónoma de Zacatecas“Francisco García Salinas”ZacatecasZacatecasMéxico Facultad de Ciencias Químicas Universidad de ColimaCoquimatlánColimaMéxico

Due to the environmental policies and economic reasons,the water used in some flotation operations of complex sulfide ores is recirculated,causing the ion concentration of some species to increase over time,affecting the flotation of the minerals of *** this work,an experimental and thermodynamic analysis of the synthetic solutions was presented with a high content of calcium and sulfate *** study focused on evaluating the use of two aluminum compounds for the precipitation of Ca^(2+)and SO_(4)^(2−)in the form of *** amorphous aluminum hydroxide was found to be more efficient than the crystalline one,giving rise to 83%calcium and 91%sulfate *** XRD analysis of the solids showed the main reaction product of ettringite,accompanied by small amounts of calcite,due to the absorption of atmospheric carbon *** final solution after the chemical treatment showed residual calcium and sulfate concentrations below 200 mg/***,the kinetics of calcium removal appeared to correspond to a second order reaction with respect to calcium concentration,with an apparent activation energy of 53.48 kJ/mol,which may suggest that the ettringite precipitation process is governed by the chemical reaction.

关键词： ettringite ion removal aluminum hydroxide calcium sulfate

Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone

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Computational Molecular Bioscience 2019年第2期9卷 41-47页

作者： norma flores-Holguín Juan Frau daniel Glossman-Mitnik Laboratorio Virtual nAnOCOSMOS Departamento de Medio Ambiente y Energía Centro de Investigación en Materiales Avanzados Chihuahua Mexico Departament de Química Universitat de les Illes Balears Palma de Mallorca Spain

Five density functionals, CAM-B3LYP, LC-ωPBE, Mn12SX, n12SX and ωB97XD, in connection with the Def2TZVP basis set were assessed together with the SMD solvation model for the calculation of the molecular and chemical reactivity properties of the Cholecystokinin peptide hormone (CCK-8) in the presence of water. All the chemical reactivity descriptors for the systems were calculated via Conceptual Density Functional Theory (CDFT). The potential bioavailability and druggability as well as the bioactivity scoresfor CCK-8 were predicted through different methodologies already reported in the literature which have been previously validated during the study of different peptidic systems. The conclusion was that the CCK-8 peptide will be moderately bioactive regarding all the interactions.

关键词： Cholecystokinin Peptide Hormone (CCK-8) Conceptual DFT Chemical Reactivity Drug-likeness Features Bioactivity Scores

Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide neurotransmitter

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Computational Molecular Bioscience 2019年第1期9卷 13-26页

作者： Juan Frau norma flores-Holguín daniel Glossman-Mitnik Departament de Química Universitat de les Illes Balears Palma de Mallorca Spain Laboratorio Virtual nAnOCOSMOS Departamento de Medio Ambiente y Energía Centro de Investigación en Materiales Avanzados Chihuahua Mexico

The SMD solvation model (Solvation Model based on the Density) and eight density functionals, CAM-B3LYP, LC-ωPBE, M11, Mn12SX, n12SX, ωB97, ωB97X, and ωB97XD, were assessed in link with the Def2TZVP basis set for the calculation of the structure of the Leu-Enkephalin Opioid Peptide neurotransmitter as well as their molecular properties. Through the Conceptual Density Functional Theory (CDFT), the entire chemical descriptors for the system were calculated. The active regions of the molecules necessary for electrophilic, nucleophilic and radical attacks were chosen through linking them with the corresponding Fukui functions. Furthermore, the prediction of the pKa value for the peptide is done with great accuracy as well as the ability of the studied molecule in acting as an efficient inhibitor of the formation of Advanced Glycation Endproducts (AGEs), which comprises of a useful knowledge for the development of drugs for preventing Alzheimer, Diabetes and Parkinson diseases. Lastly, the bioactivity scores for the studied peptides are predicted via various methodologies.

关键词： Leu-Enkephalin Opioid neurotransmitters Computational Chemistry Conceptual DFT Bioactivity Scores