المؤلفون: Trevor W. Sleight (9238140), Caitlin N. Sexton (11577459), Giannis Mpourmpakis (1452985), Leanne M. Gilbertson (807821), Carla A. Ng (1367574)

مصطلحات موضوعية: Biochemistry, Microbiology, Cell Biology, Genetics, Molecular Biology, Biotechnology, Evolutionary Biology, Ecology, Space Science, Chemical Sciences not elsewhere classified, potential intermediate structures, currently available tools, constantly evolving set, broadly inclusive methodology, acting mutagens resulting, long environmental half, environmental hazards resulting, identify molecular clusters, future studies evaluating, pah transformation products, mutagenic activation similar, environmental contaminants, similar mechanisms, metabolic activation, identify direct, existing studies, ultimate removal, substantial increase, single ring, remediation professionals

Relation: https://figshare.com/articles/journal_contribution/A_Classification_Model_to_Identify_Direct-Acting_Mutagenic_Polycyclic_Aromatic_Hydrocarbon_Transformation_Products/16828662

الاتاحة: https://doi.org/10.1021/acs.chemrestox.1c00187.s001

المؤلفون: Site Li (2886824), Anantha Venkataraman Nagarajan (9446937), Shuo Zhao (1545043), Giannis Mpourmpakis (1452985), Rongchao Jin (1269567)

مصطلحات موضوعية: Immunology, Cancer, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, study offers insights, higher catalytic activity, fuel cell system, higher electrocatalytic activity, sulfur active sites, exposed active sites, catalytically active sites, doped ag nanoclusters, oxygen reduction reaction, orr performance catalyzed, ooh formation energy, platinum atom doped, atomically precise ncs, oxygen reduction, atomically precise, formation energy, metal sites, doped ncs, orr performance, ooh intermediate, electrocatalytic reactions, atom doping, ag ncs

Relation: https://figshare.com/articles/journal_contribution/Understanding_the_Single_Atom_Doping_Effects_in_Oxygen_Reduction_with_Atomically_Precise_Metal_Nanoclusters/16958647

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c08356.s001

المؤلفون: Yingwei Li (701628), Site Li (2886824), Anantha V. Nagarajan (11147247), Zhongyu Liu (612014), Sarah Nevins (11147250), Yongbo Song (1547986), Giannis Mpourmpakis (1452985), Rongchao Jin (1269567)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Pharmacology, Biotechnology, Evolutionary Biology, Sociology, Infectious Diseases, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, catalyzing HER, 36 Ag 2, RHE, Nanochemistry Electrocatalytic hydr., Hydrogen Evolution Electrocatalyst ., hydrogen binding energy, DFT, SR

Relation: https://figshare.com/articles/journal_contribution/Hydrogen_Evolution_Electrocatalyst_Design_Turning_Inert_Gold_into_Active_Catalyst_by_Atomically_Precise_Nanochemistry/14998032

الاتاحة: https://doi.org/10.1021/jacs.1c04606.s001

المؤلفون: Trevor W. Sleight (9238140), Caitlin N. Sexton (11577459), Giannis Mpourmpakis (1452985), Leanne M. Gilbertson (807821), Carla A. Ng (1367574)

مصطلحات موضوعية: Biochemistry, Microbiology, Cell Biology, Genetics, Molecular Biology, Biotechnology, Evolutionary Biology, Ecology, Space Science, Chemical Sciences not elsewhere classified, potential intermediate structures, currently available tools, constantly evolving set, broadly inclusive methodology, acting mutagens resulting, long environmental half, environmental hazards resulting, identify molecular clusters, future studies evaluating, pah transformation products, mutagenic activation similar, environmental contaminants, similar mechanisms, metabolic activation, identify direct, existing studies, ultimate removal, substantial increase, single ring, remediation professionals

Relation: https://figshare.com/articles/dataset/A_Classification_Model_to_Identify_Direct-Acting_Mutagenic_Polycyclic_Aromatic_Hydrocarbon_Transformation_Products/16828665

الاتاحة: https://doi.org/10.1021/acs.chemrestox.1c00187.s002

المؤلفون: Trevor W. Sleight (9238140), Caitlin N. Sexton (11577459), Giannis Mpourmpakis (1452985), Leanne M. Gilbertson (807821), Carla A. Ng (1367574)

مصطلحات موضوعية: Biochemistry, Microbiology, Cell Biology, Genetics, Molecular Biology, Biotechnology, Evolutionary Biology, Ecology, Space Science, Chemical Sciences not elsewhere classified, potential intermediate structures, currently available tools, constantly evolving set, broadly inclusive methodology, acting mutagens resulting, long environmental half, environmental hazards resulting, identify molecular clusters, future studies evaluating, pah transformation products, mutagenic activation similar, environmental contaminants, similar mechanisms, metabolic activation, identify direct, existing studies, ultimate removal, substantial increase, single ring, remediation professionals

Relation: https://figshare.com/articles/dataset/A_Classification_Model_to_Identify_Direct-Acting_Mutagenic_Polycyclic_Aromatic_Hydrocarbon_Transformation_Products/16828668

الاتاحة: https://doi.org/10.1021/acs.chemrestox.1c00187.s003

المؤلفون: Trevor W. Sleight (9238140), Caitlin N. Sexton (11577459), Giannis Mpourmpakis (1452985), Leanne M. Gilbertson (807821), Carla A. Ng (1367574)

مصطلحات موضوعية: Biochemistry, Microbiology, Cell Biology, Genetics, Molecular Biology, Biotechnology, Evolutionary Biology, Ecology, Space Science, Chemical Sciences not elsewhere classified, potential intermediate structures, currently available tools, constantly evolving set, broadly inclusive methodology, acting mutagens resulting, long environmental half, environmental hazards resulting, identify molecular clusters, future studies evaluating, pah transformation products, mutagenic activation similar, environmental contaminants, similar mechanisms, metabolic activation, identify direct, existing studies, ultimate removal, substantial increase, single ring, remediation professionals

Relation: https://figshare.com/articles/dataset/A_Classification_Model_to_Identify_Direct-Acting_Mutagenic_Polycyclic_Aromatic_Hydrocarbon_Transformation_Products/16828671

الاتاحة: https://doi.org/10.1021/acs.chemrestox.1c00187.s004

المؤلفون: Maya Salem (11000792), Michael J. Cowan (7124939), Giannis Mpourmpakis (1452985)

مصطلحات موضوعية: Biochemistry, Medicine, Ecology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, show great promise, one main approach, machine learning methodology, density functional theory, predicting segregation energy, probe saa stability, saa segregation energies, physically motivated features, active catalytic site, saa catalyst design, screen metal segregation, surface segregation energy, seg , previously developed bond, nps ), ranging, predict segregation energies, dft segregation energies, saa periodic slabs, various surface facets, five features used, metal segregation, periodic slabs, features used

Relation: https://figshare.com/articles/journal_contribution/Predicting_Segregation_Energy_in_Single_Atom_Alloys_Using_Physics_and_Machine_Learning/19082721

الاتاحة: https://doi.org/10.1021/acsomega.1c06337.s001