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Machine learning-guided accelerated discovery of structure-property correlations in lean magnesium alloys for biomedical applications

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Journal of Magnesium and Alloys 2024年第6期12卷 2267-2283页

作者： Sreenivas Raguraman Maitreyee Sharma Priyadarshini Tram Nguyen Ryan McGovern Andrew Kim Adam J.Griebel paulette clancy Timothy P.Weihs Department of Materials Science and Engineering Johns Hopkins University3400 N Charles StBaltimore21218MDU.S.A Hopkins Extreme Materials Institute Johns Hopkins University3400 N Charles StBaltimore21218MDU.S.A Department of Chemical and Biomolecular Engineering Johns Hopkins University3400 N Charles StBaltimore21218MDU.S.A Translational Tissue Engineering Center Johns Hopkins School of Medicine400 N BroadwayBaltimore21231MDU.S.A Department of Biomedical Engineering Johns Hopkins University3400 N Charles StBaltimore21218MDU.S.A Research and Development Fort Wayne Metals Research ProductsLLC9609 Ardmore AveFort Wayne46809INU.S.A Department of Mechanical Engineering Johns Hopkins University3400 N Charles StBaltimore21218MDU.S.A

Magnesium alloys are emerging as promising alternatives to traditional orthopedic implant materials thanks to their biodegradability,biocompatibility,and impressive mechanical ***,their rapid in-vivo degradation presents challenges,notably in upholding mechanical integrity over *** study investigates the impact of high-temperature thermal processing on the mechanical and degradation attributes of a lean Mg-Zn-Ca-Mn alloy,*** rapid,cost-efficient characterization methods like X-ray diffraction and optical microscopy,we swiftly examine microstructural changes post-thermal *** Pearson correlation coefficient analysis,we unveil the relationship between microstructural properties and critical targets(properties):hardness and corrosion ***,leveraging the least absolute shrinkage and selection operator(LASSO),we pinpoint the dominant microstructural factors among closely correlated *** findings underscore the significant role of grain size refinement in strengthening and the predominance of the ternary Ca_(2)Mg_(6)Zn_(3)phase in corrosion *** suggests that achieving an optimal blend of strength and corrosion resistance is attainable through fine grains and reduced concentration of ternary *** thorough investigation furnishes valuable insights into the intricate interplay of processing,structure,and properties in magnesium alloys,thereby advancing the development of superior biodegradable implant materials.

关键词： Magnesium alloys Machine learning Corrosion Mechanical properties Rapid characterization

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Efficient search of compositional space for hybrid organic-inorganic perovskites via Bayesian optimization

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npj Computational Materials 2018年第1期4卷 232-238页

作者： Henry C.Herbol Weici Hu Peter Frazier paulette clancy Matthias Poloczek Department of Materials Science and Engineering Cornell UniversityIthacaNYUSA School of Operations Research and Information Engineering Cornell UniversityIthacaNYUSA Robert F.Smith School of Chemical and Biomolecular Engineering Cornell UniversityIthacaNYUSA Department of Systems and Industrial Engineering University of ArizonaTucsonAZUSA

Accelerated searches,made possible by machine learning techniques,are of growing interest in materials discovery.A suitable case involves the solution processing of components that ultimately form thin films of solar cell materials known as hybrid organic–inorganic perovskites(HOIPs).The number of molecular species that combine in solution to form these films constitutes an overwhelmingly large“compositional”space(at times,exceeding 500,000 possible combinations).Selecting a HOIP with desirable characteristics involves choosing different cations,halides,and solvent blends from a diverse palette of *** unguided search by experimental investigations or molecular simulations is prohibitively *** this work,we propose a Bayesian optimization method that uses an application-specific kernel to overcome challenges where data is scarce,and in which the search space is given by binary variables indicating whether a constituent is present or *** demonstrate that the proposed approach identifies HOIPs with the targeted maximum intermolecular binding energy between HOIP salt and solvent at considerably lower cost than previous state-of-the-art Bayesian optimization methodology and at a fraction of the time(less than 10%)needed to complete an exhaustive *** find an optimal composition within 15±10 iterations in a HOIP compositional space containing 72 combinations,and within 31±9 iterations when considering mixed halides(240 combinations).Exhaustive quantum mechanical simulations of all possible combinations were used to validate the optimal prediction from a Bayesian optimization *** paper demonstrates the potential of the Bayesian optimization methodology reported here for new materials discovery.

关键词： optimization inorganic perovskite

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Pentacene-based nanorods on Au（111） single crystals： Charge transfer, diffusion, and step-edge barriers

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Nano Research 2013年第6期6卷 449-459页

作者： Sabine-Antonia Savu Sabine Abb Simon Schundelmeier Jonathan D. Saathoff James M. Stevenson Christina Tonshoff Holger F. Bettinger paulette clancy M. Benedetta Casu Thomas Chasse Institute of Physical and Theoretical Chemistry University of Tuebingen Aufder Morgenstelle 18 72076 Tuebingen Germany School of Chemical and Biomolecular Engineering Cornel/University Ithaca New York 14853 USA Institute of Organic Chemistry University of Tuebingen Auf der Morgenstelle 18 72076 Tuebingen Germany

我们调查二 4 代用品 pentacenes 的 nanorod 集会，也就是(2,3-X 2-9,10-Y 2 ) 有 X = Y = OCH3 (拖把) 并且与 X = F 的代替的 pentacenes， Y = OCH3 (MOPF ) ，在 Au (111 ) 上成年单个晶体。由基于紫外光电子光谱学， X 光检查光... 详细信息

我们调查二 4 代用品 pentacenes 的 nanorod 集会，也就是(2,3-X 2-9,10-Y 2 ) 有 X = Y = OCH3 (拖把) 并且与 X = F 的代替的 pentacenes， Y = OCH3 (MOPF ) ，在 Au (111 ) 上成年单个晶体。由基于紫外光电子光谱学， X 光检查光电子光谱学，和 X 光检查吸收使用一条多技术途径，我们为在黄金的接口屏蔽的起诉转移发现证据。而且， MOP 和 MOPF nanorods 显示出不平的表面形态学，它与原子力量显微镜学被调查。我们使用分子的模拟技术调查精力充沛的障碍到散开并且穿越步边在 nanorod 粗糙上估计他们的影响。我们发现对一个平台上的表面散开的障碍是各向异性的并且他们的方向在这些材料赞成 nanorods 的形成。

关键词：表面扩散电荷转移单晶生长纳米棒并五苯 X射线光电子能谱分子模拟技术紫外光电子能谱

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Supervised Learning Method: Critical Analysis and Updating of Cubing Rate Formulas for Determining Bark Masses of Prunus africana (Hook. f.) Kalkman (Rosaceae) in Cameroon

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Open Journal of Forestry 2024年第3期14卷 346-368页

作者： Armand Ndedy Bile Alain Mpouam Benoit Fouadjio Lorette Guedeu Kambale Muhesi Steve Tassiamba paulette Kouam Eric Wete Marius Ela Michèle Yimga Joseph Ambara Louis Aimé Fono Jean Lagarde Betti Department of Plant Biology Faculty of Science The University of Douala Douala Cameroon Department of Wood and Forest Sciences ISABEE University of Bertoua Bertoua Cameroon Department of Water and Forests Higher Institute of Agronomic Veterinary and Forestry Studies of Butembo Butembo Democratic Republic of Congo Department of Forestry Faculty of Agronomy and Agricultural Sciences University of Dschang Dschang Cameroon Department of Biology and Plant Faculty of Sciences University of Maroua Maroua Cameroon Deutsche Gresellschaft fur Internationale Zusammenarbeit GmbH (GIZ) Bertoua Cameroon Department of Mathematics and Computer Science Faculty of Science The University of Douala Douala Cameroon

The stem barks of Prunus africana are used in the treatment of the benign prostate. Cameroon is one of the important exporters of the barks. Despite the important measures adopted in Cameroon for sustaining its harvesting, some many chalenges still remain. The objective of this work is to refine the forest management parameters in relation to P. africana in the regions of Adamaoua and the South-West by developing a volume rate which makes it possible to estimate the production for a new stem. The work took place in two phases: in the South-West in 2010 and in Adamaoua in 2011. Data collection used the semi-direct method, while the cubing equation was deduced by the multiple linear regression method. Two models for volume estimation and three models for mass prediction were developed. The predictive parameters retained are diameter, height of the bole and thickness of the bark. Results show that the average mass of the dry bark for a given P. africana tree species is 27.55 ± 14.44 kg and this varies according to the site. The strong adjusted coefficient of determination (adjusted R2) observed illustrates the reliability of the proposed models. These models provide a reliable tool that can be adopted as a standard in Cameroon for P. africana.

关键词： Prunus africana Prostate Quota Mass Model Sustainable Management

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14-3-3 proteins—an update

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Cell Research 2005年第4期15卷 228-236页

作者： paulette MHAWECH Elm and Carlton Streets . Buffalo Department of Pathology and Laboratory Medicine at Roswell Park Cancer Institute NewYork14263 USA

14-3-3 is a highly conserved acidic protein family, composed of seven isoforms in mammals. 14-3-3 protein caninteract with over 200 target proteins by phosphoserine-dependent and phosphoserine-independent manners. Little isknown about the consequences of these interactions, and thus are the subjects of ongoing studies. 14-3-3 controls cellcycle, cell growth, differentiation, survival, apoptosis, migration and spreading. Recent studies have revealed newmechanisms and new functions of 14-3-3, giving us more insights on this fascinating and complex family of *** all the seven isoforms, 14-3-3σ seems to be directly involved in human cancer. 14-3-3σ itself is subject to regulationby p53 upon DNA damage and by epigenetic deregulation. Gene silencing of 14-3-3σ by CpG methylation has beenfound in many human cancer types. This suggests that therapy-targeting 14-3-3σ may be beneficial for future cancertreatment.

关键词： 14-3-3 function 14-3-3σ CpG methylation target therapy.

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Algae from Fresh and Brackish Waters, Côte d’Ivoire

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Open Journal of Ecology 2023年第10期13卷 731-746页

作者： Marie paulette Adon Department of Biodiversity and Sustainable Management of Ecosystems University of Jean Lorougnon Guédé Daloa Côte d’Ivoire

The aim of this work is to study the diversity of phytoplanktonic from some fresh and brackish waters. The methodology employed consisted of sampling the organisms using the Van Dorn bottle at the surface (0.5 m) of fresh and sea waters from Container Terminal from San-Pedro Port Area (CTSP) during June and July 2021 and Ebrié Lagoon in June 2023. A total of 324 taxa were collected with 274 taxa for CTSP and 82 taxa for Ebrié Lagoon. The identified phyla were, in order of importance, the Bacillariophyta (151 taxa), Dinophyta (80 taxa), Euglenophyta (34 taxa), Chlorophyta (31 taxa), Chrysophyta (12 taxa), Cyanobacteria (11 taxa), Cryptophyta and Rhodophyta with 2 taxa respectively and Ochrophyta (1 taxon). In the CTSP, the species Prorocentrum lima and Prorocentrum micans have contributed to the highest number of the taxa during the first mission, but with low contribution during the second mission. At this mission, the contribution of the Dinophyta Protoperidinium quinquecorne and the Bacillariophyta Melosira spp., Coscinodiscus nodulifer, Thalassionema frauenfeldii and Thalassionema nitzschioides was revealed. The Ebrié Lagoon was characterized by the high contribution of the species Cyclotella meneghianana during the sampling mission. As a recommendation, we propose the monitoring in time and space of toxin-producing species and the evaluation of their toxins that could constitute a risk for the fishery, recreational and commercial activities, and the ecosystems studied providing important ecosystem and economic services.

关键词： Phytoplankton Diversity Abidjan San-Pédro

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Standardized Baseflow Drought Index Comparison to SPEI in High Baseflow Streams

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Journal of Water Resource and Protection 2023年第11期15卷 557-580页

作者： Katherine A. clancy College of Natural Resources University of Wisconsin at Stevens Point Stevens Point USA

Increased use of streamflow, most importantly minimum flow/baseflow data should be incorporated into drought indices, especially in regions where streams have a high baseflow component. Standard departure for streamflow (SDSF) and standard departure for baseflow (SDBF) were compared to the standardized precipitation and evapotranspiration index (SPEI) drought index values for 17 baseflow-dominated watersheds in the northern, central, and southern regions of Wisconsin. For each watershed, comparisons of SDSF, SDBF, and SPEI time series (for 1, 3, and 12-month time scales) were evaluated using correlation, run lengths of negative and positive values, sign congruence, and Mann-Kendall trend test. In general, SDBF performed better than SDSF for longer time scales. Trends of wetness appear to be distinguished earlier in SDBF compared to SDSF and SPEI-1, SPEI-3, and SPEI-12. The results of this study are consistent with regional statewide climate studies on precipitation and changes in precipitation intensity. This study highlights how standardized baseflow data are robust and compare to SPEI 12-month time scales.

关键词： SPEI Baseflow Drought Indices Streamflow

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Composting of Disposal Organic Wastes: Resource Recovery for Agricultural Sustainability

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过程工程学报 2006年第4期6卷 585-591页

作者： Mohammad H.Golabi Peggy Denney clancy Iyekar College of Natural and Applied Sciences University of Guam Mangilao Guam-USA

One of the major problems of agricultural soils in the tropical regions of the Pacific is the low organic matter *** of the hot and humid environment,the soil organic matter(SOM)is minimal due to rapid *** organic material is being applied on agricultural fields as an amendment to provide nutrients and enhance the organic matter content for improving the physical and chemical properties of the cultivated *** addition land application of composted material as a fertilizer source effectively disposes of wastes that otherwise are buried in *** our soil program at the University of Guam,we are evaluating the use of organic material as an alternative to synthetic *** goal is to develop management strategies and use available resources for improving crop production while conserving resources and preserving environmental *** case study project is designed to improve soil fertility status by using composted organic wastes and assessing how the nitrogen and other essential nutrients contribute to long-term soil fertility and crop productivity without application of synthetic *** our pilot project,compost is produced from wood chips,grinded typhoon debris mixed with animal manure,fish feed,shredded paper and other organic *** compost is then applied on the field at the rates of 0,5,10 and 20 t/ha as a soil amendment on the eroded cobbly soils of southern *** is planted and monitored for growth performance and *** effect of land application of composted material on the SOM content and overall soil quality indices are being evaluated in this pilot study.

关键词： composting resource recovery management soil improvement waste disposal agricultural sustainability

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Gender-based differences in cardiac diseases

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The Journal of Biomedical Research 2011年第2期25卷 81-89页

作者： Colleen E.clancy Department of Pharmacology University of California Davis

It has been observed that the incidence of heart failure and Brugada syndrome are higher in men, while women are more likely to have QT interval prolongation and develop torsades de pointes （TdP）. Over the past decade, new studies have improved our understanding of the mechanisms of abnormal repolarization and the relationship between gender differences in cardiac repolarization and presentation of clinical syndromes. Nevertheless, the causes of gender-based differences in cardiac disease are still not completely clear. This review paper briefly summarized what is currently known about gender differences in heart failure, Brugada syndrome and long QT syndrome from molecular mechanisms to clinical presentations.

关键词： gender differences heart failure Brugada syndrome long QT

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Characterization of Clay Materials and Performance Evaluation of Fired Clay Composites Made for Low-Cost Housing

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Journal of Minerals and Materials Characterization and Engineering 2022年第4期10卷 338-359页

作者： paulette Cathy Mengue Michel Mbessa Rodrigue Cyriaque Kaze Adeyemi Adesina Chrispin Pettang Department of Civil Engineering National Advanced School of Engineering University of Yaoundé I Yaoundé Cameroon Laboratory of Applied Inorganic Chemistry Faculty of Science University of Yaoundé I Yaoundé Cameroon Department of Civil and Environmental Engineering University of Windsor Windsor Canada

This study deals with the physico-chemical, mineralogical and geotechnical characterization of alluvial clays from Batchenga in Cameroon with a view to their use as building materials for housing. The alluvial clay (***) was collected in the locality of Batchenga at the village Natchigal (4˚20'40''N and 11˚37'40''E at 378 m altitude) and was fired between 900˚C and 1100˚C. Characterization was performed by XRD, XRF, DTA/DTG, and firing tests. XRD, XRF, DTA/DTG infrared analysis methods were performed on these clays. The linear shrinkage, mechanical strengths, water absorption, porosity and density were measured on the fired products. The results obtained show that the major oxides are for the *** SiO2 (72.13%), Al2O3 (14.1%), Fe2O3 (4.45%) and for the ***: SiO2 (48.91%), Al2O3 (23.79%), Fe2O3 (9.54%). The fired products based on alluvial clay, present the flexural strength of 4.45 MPa at 900˚C and 6.80 MPa at 1100˚C. As for those based on lateritic clay, the flexural strength is 0.53 and 0.76 MPa respectively at 900 and 1100˚C. The porosity is 33.69% at 900˚C and 22.93% at 1100˚C for the alluvial clay and 39.55% at 900˚C and 36.01% for the lateritic clay at 1100˚C. Water absorption is 18% to 11.16% for alluvial clay and 22.43% to 21.16% for lateritic clay at 900˚C and 1100˚C respectively. These results suggest that alluvial clay and its firing products have better physico-chemical, geotechnical and mechanical characteristics regardless of the firing temperature of the manufactured products. The addition of degreaser is recommended to improve the mechanical performance of lateritic clay.

关键词： Clays Fired Products Firing Temperature Physical and Mechanical Properties Microstructure

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