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Chemistry: Department Publications

Last Updated: Oct 17, 2018 11:04 AM

Recent University at Buffalo Chemistry Department Publications

Listed for approximately the last 12-20 months.     LAST UPDATE: 05/03/2018

Based on Web of Science Core Collection Coverage - Updated Weekly 

Maintained by Fred Stoss, Science & Engineering Information Center, UB Libraries

Full record links to Web of Science Records work only on UB Campus

Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects
Author Full Names: Smith, Brendan; Akimov, Alexey V.
Source: JOURNAL OF CHEMICAL PHYSICS, 148 (14):10.1063/1.5022573 APR 14 2018 Article Number: 144106
ISSN: 0021-9606 eISSN: 1089-7690
Unique ID: WOS:000430128600010 PubMed ID: 29655344

 


Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells
Author Full Names: An, Peng; Lewandowski, Tracey M.; Erbay, Tugce G.; Liu, Peng; Lin, Qing
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 140 (14):4860-4868; 10.1021/jacs.8b00126 APR 11 2018
ISSN: 0002-7863
Unique ID: WOS:000430155800019 PubMed ID: 29565582

 

 


TiO2-coated fluoride nanoparticles for dental multimodal optical imaging Article Number: UNSP e201700029
Author Full Names: Braz, Ana K. S.; Moura, Diogenes S.; Gomes, Anderson S. L.; Ohulchanskyy, Tymish Y.; Chen, Guanying; Liu, Maixian; Damasco, Jossana; de Araujo, Renato E.; Prasad, Paras N.
Source: JOURNAL OF BIOPHOTONICS, 11 (4):10.1002/jbio.201700029 APR 2018
ISSN: 1864-063X eISSN: 1864-0648
Unique ID: WOS:000430178100002 PubMed ID: 28703424

 

 


Orotidine 5 '-Monophosphate Decarboxylase: Probing the Limits of the & IT;Possible & IT; for Enzyme Catalysis
Author Full Names: Richard, John P.; Amyes, Tina L.; Reyes, Archie C.
Source: ACCOUNTS OF CHEMICAL RESEARCH, 51 (4):960-969; 10.1021/acs.accounts.8b00059 APR 2018
ISSN: 0001-4842 eISSN: 1520-4898
Unique ID: WOS:000430515100014 PubMed ID: 29595949

 

 


Assessing dairy manure management strategies for removal of antimicrobials and spread of antimicrobial resistant genes
Author Full Names: Hurst, Jerod; Sassoubre, Lauren; Aga, Diana
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429525600437

 

 


Occurrence and transformation of veterinary antibiotics and antibiotic resistance genes in dairy manure treated by advanced anaerobic digestion and conventional treatment methods
Author Full Names: Wallace, Joshua S.; Garner, Emily; Pruden, Amy; Aga, Diana S.
Source: ENVIRONMENTAL POLLUTION, 236 764-772; 10.1016/j.envpol.2018.02.024 MAY 2018
ISSN: 0269-7491 eISSN: 1873-6424
Unique ID: WOS:000429187500079 PubMed ID: 29455089

 

 


Mass spectrometry based detection of vitellogenin peptides as biomarker of fish exposure to estrogenic compounds in aquatic environments
Author Full Names: He, Ping; Matich, Eryn; Yonkos, Lance; Friedman, Alan; Atilla-Gokcumen, G.; Aga, Diana
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429525600686

 

 


Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores
Author Full Names: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander, V; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 140 (13):4588-4595; 10.1021/jacs.7b13339 APR 4 2018
ISSN: 0002-7863
Unique ID: WOS:000429508600022 PubMed ID: 29359933

 

 


Multi-reference calculations of NMR shifts in open-shell actinide complexes
Author Full Names: Gendron, Frederic; Autschbach, Jochen
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556702558

 

 


Calculation of linear and nonlinear optical properties of azobenzene derivatives with Kohn-Sham and coupled-cluster methods
Author Full Names: Pal, Arun K.; Duignan, Thomas J.; Autschbach, Jochen
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20 (10):7303-7316; 10.1039/c7cp08655e MAR 14 2018
ISSN: 1463-9076 eISSN: 1463-9084
Unique ID: WOS:000429286100058 PubMed ID: 29485150

 

 


Stereoselective saturated heterocycle synthesis via copper-catalyzed alkene difunctionalizations involving polar/radical cascades
Author Full Names: Chemler, Sherry
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556701875

 

 


Coordination-Driven Self-Assembly of Ruthenium Polypyridyl Nodes Resulting in Emergent Photophysical and Electrochemical Properties
Author Full Names: Hauke, Cory E.; Oldacre, Amanda N.; Fulong, Cressa Ria P.; Friedman, Alan E.; Cook, Timothy R.
Source: INORGANIC CHEMISTRY, 57 (7):3587-3595; 10.1021/acs.inorgchem.7b02657 APR 2 2018
ISSN: 0020-1669 eISSN: 1520-510X
Unique ID: WOS:000429283200014 PubMed ID: 29278500

 


Effective formation of stable and versatile double-stranded beta-sheets templated by a hydrogen-bonded duplex
Author Full Names: Shi, You-Di; Tang, Quan; Jiang, Ya-Fei; Pei, Qiang; Tan, Hong-Wei; Lu, Zhong-Lin; Gong, Bing
Source: JOURNAL OF MATERIALS CHEMISTRY B, 6 (14):3719-3722; 10.1039/c8cc01564c APR 14 2018
ISSN: 2050-750X eISSN: 2050-7518
Unique ID: WOS:000429528400008 PubMed ID: 29583145

 

 


Stabilization of quadruplex DNAs by tetraurea macrocycles: Synthesis, DNA binding and beyond
Author Full Names: Detchou, Cadnel; Gong, Bing
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556701404

 

 


Photoresponsive polymers, nanocomposites and hirarchical hybrid nanostructures
Author Full Names: Prasad, Paras
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556703662

 

 


Regulated doxorubicin release from targeted pH-sensitive PEG-PHEMA-PBA based crosslinked micelles
Author Full Names: Mohamed, Mohamed; Singh, Ajay; Elsokkary, Ahmed; Akl, Magda; Prasad, Paras; Cheng, Chong
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556703533

 

 


Synthesis of stercobilin: A potential biomarker for autism
Author Full Names: Coffey, Jordan; Wood, Troy; Charlebois, Amber
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429525602313

 

 


Predicting crystal structures at high pressures
Author Full Names: Zurek, Eva
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556703025
Crystal structures and electronic properties of Xe-Cl compounds at high pressure
Author Full Names: Zarifi, Niloofar; Zurek, Eva; Tse, John
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556702749

 

 


Superconductivity in scandium hydrides under pressure
Author Full Names: Ye, Xiaoqiu; Zarifi, Niloofar; Zurek, Eva; Hoffmann, Roald; Ashcroft, Neil
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556702545

 

 


Superconducting phases of phosphorus hydride under pressure: Stabilization via mobile molecular hydrogen
Author Full Names: Bi, Tiange; Miller, Daniel; Shamp, Andrew; Zurek, Eva
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 AUG 20 2017
ISSN: 0065-7727
Unique ID: WOS:000429556702544

 

 


Self-cleaning membranes for water purification by co-deposition of photo-mobile 4,4 '-azodianiline and bio-adhesive polydopamine
Author Full Names: Ramanan, Sankara Narayanan; Shahkaramipour, Nima; Thien Tran; Zhu, Lingxiang; Venna, Surendar R.; Lim, Chang-Keun; Singh, Ajay; Prasad, Paras N.; Lin, Haiqing
Source: JOURNAL OF MEMBRANE SCIENCE, 554 164-174; 10.1016/j.memsci.2018.02.068 MAY 15 2018
ISSN: 0376-7388 eISSN: 1873-3123
Unique ID: WOS:000429188200018

 

 


Extremely cost-effective and efficient solar vapor generation using thermally isolated black paper
Author Full Names: Liu, Zhejun; Song, Haomin; Ji, Dengxin; Li, Chenyu; Cheney, Alec; Liu, Youhai; Zhang, Nan; Zeng, Xie; Chen, Borui; Gao, Jun; Liu, Xiang; Aga, Diana; Jiang, Suhua; Yu, Zongfu; Gan, Qiaoqiang
Book Group Author(s): IEEE
Source: 2017 CONFERENCE ON LASERS AND ELECTRO-OPTICS (CLEO), 2017
Book Series: Conference on Lasers and Electro-Optics
ISSN: 2160-9020 ISBN: 978-1-9435-8027-9
Unique ID: WOS:000427296200026

 

 


High Hydrides of Scandium under Pressure: Potential Superconductors
Author Full Names: Ye, Xiaoqiu; Zarifi, Niloofar; Zurek, Eva; Hoffmann, Roald; Ashcroft, N. W.
Source: JOURNAL OF PHYSICAL CHEMISTRY C, 122 (11):6298-6309; 10.1021/acs.jpcc.7b12124 MAR 22 2018
ISSN: 1932-7447
Unique ID: WOS:000428356700051

 

 


Role of Ligand-Driven Conformational Changes in Enzyme Catalysis: Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase
Author Full Names: Kulkarni, Yashraj S.; Liao, Qinghua; Bylehn, Fabian; Amyes, Tina L.; Richard, John P.; Kamerlin, Shina C. L.
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 140 (11):3854-3857; 10.1021/jacs.8b00251 MAR 21 2018
ISSN: 0002-7863
Unique ID: WOS:000428356000010 PubMed ID: 29516737

 

 


Hydrogen-Bonded Duplexes with Lengthened Linkers
Author Full Names: Zhang, Yukun; Cao, Ruikai; Shen, Jie; Detchou, Cadnel S. F.; Zhong, Yulong; Wang, Hen; Zou, Sheng; Huang, Qingfei; Lian, Chunxia; Wang, Wei; Zhu, Jin; Gong, Bing
Source: ORGANIC LETTERS, 20 (6):1555-1558; 10.1021/acs.orglett.8b00283 MAR 16 2018
ISSN: 1523-7060 eISSN: 1523-7052
Unique ID: WOS:000428003600019 PubMed ID: 29508615

 

 


Thermochromic Uranyl Isothiocyanates: Influencing Charge Transfer Bands with Supramolecular Structure
Author Full Names: Surbella, Robert G., III; Ducati, Lucas C.; Autschbach, Jochen; Deifel, Nicholas P.; Cahill, Christopher L.
Source: INORGANIC CHEMISTRY, 57 (5):2455-2471; 10.1021/acs.inorgchem.7b02702 MAR 5 2018
ISSN: 0020-1669 eISSN: 1520-510X
Unique ID: WOS:000427094000019 PubMed ID: 29436836

 

 


Interaction of Structured Light with a Chiral Plasmonic Metasurface: Giant Enhancement of Chiro-Optic Response
Author Full Names: Reddy, Innem V. A. K. K.; Baev, Alexander; Furlani, Edward P.; Prasad, Paras N.; Haus, Joseph W.
Source: ACS PHOTONICS, 5 (3):734-740; 10.1021/acsphotonics.7b01321 MAR 2018
ISSN: 2330-4022
Unique ID: WOS:000428356400010

 

 


Method development for the analysis of ionophore antimicrobials in dairy manure to assess removal within a membrane-based treatment system
Author Full Names: Hurst, Jerod J.; Wallace, Josh S.; Aga, Diana S.
Source: CHEMOSPHERE, 197 271-279; 10.1016/j.chemosphere.2018.01.028 APR 2018
ISSN: 0045-6535 eISSN: 1879-1298
Unique ID: WOS:000426231900031 PubMed ID: 29353677

 

 


Tandem copper and gold nanoclusters for two-color ratiometric explosives detection
Author Full Names: Essner, Jeremy B.; Chen, Xi; Wood, Troy D.; Baker, Gary A.
Source: ANALYST, 143 (5):1036-1041; 10.1039/c7an01867c MAR 7 2018
ISSN: 0003-2654 eISSN: 1364-5528
Unique ID: WOS:000426704200002 PubMed ID: 29423479

 

 


Reactivity of He with ionic compounds under high pressure
Author Full Names: Liu, Zhen; Botana, Jorge; Hermann, Andreas; Valdez, Steven; Zurek, Eva; Yan, Dadong; Lin, Hai-qing; Miao, Mao-sheng
Source: NATURE COMMUNICATIONS, 9 10.1038/s41467-018-03284-y MAR 5 2018
Article Number: 951
ISSN: 2041-1723
Unique ID: WOS:000426544200002
PubMed ID: 29507302

 

 


Increasing Diversity in the Chemical Sciences: Experiences and Lessons
Author Full Names: Colon, Luis A.
Edited by: Nelson DJ; Cheng HN
Source: DIVERSITY IN THE SCIENTIFIC COMMUNITY, VOL 2: PERSPECTIVES AND EXEMPLARY PROGRAMS, 1256 115-124; 2017
Book Series: ACS Symposium Series
ISSN: 0097-6156 eISSN: 1947-5918
ISBN: 978-0-8412-3236-5
Book DOI: 10.1021/bk-2017-1256
Unique ID: WOS:000423416800010

 

 


Inner-Sphere and Outer-Sphere Water Interactions in Co(II) paraCEST Agents
Author Full Names: Abozeid, Samira M.; Snyder, Eric M.; Tittiris, Timothy Y.; Steuerwald, Charles M.; Nazarenko, Alexander Y.; Morrow, Janet R.
Source: INORGANIC CHEMISTRY, 57 (4):2085-2095; 10.1021/acs.inorgchem.7b02977 FEB 19 2018
ISSN: 0020-1669 eISSN: 1520-510X
Unique ID: WOS:000426014800042 PubMed ID: 29412653

 

 


Calculation of Dipole-Forbidden 5f Absorption Spectra of Uranium(V) Hexa-Halide Complexes
Author Full Names: Heit, Yonaton N.; Gendron, Frederic; Autschbach, Jochen
Source: JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 9 (4):887-894; 10.1021/acs.jpclett.7b03441 FEB 15 2018
ISSN: 1948-7185
Unique ID: WOS:000425569300034 PubMed ID: 29377704

 

 


Evaluation of the Interaction Parameter for Poly(solketal methacrylate)-block-polystyrene Copolymers
Author Full Names: Yu, Duk Man; Mapas, Jose Kenneth D.; Kim, Hyeyoung; Choi, Jaewon; Ribbe, Alexander E.; Rzayev, Javid; Russell, Thomas P.
Source: MACROMOLECULES, 51 (3):1031-1040; 10.1021/acs.macromol.7b02221 FEB 13 2018
ISSN: 0024-9297 eISSN: 1520-5835
Unique ID: WOS:000425473600040

 

 


Extended Huckel Calculations on Solids Using the Avogadro Molecular Editor and Visualizer
Author Full Names: Avery, Patrick; Ludowieg, Herbert; Autschbach, Jochen; Zurek, Eva
Source: JOURNAL OF CHEMICAL EDUCATION, 95 (2):331-337; 10.1021/acs.jchemed.7b00698 FEB 2018
ISSN: 0021-9584 eISSN: 1938-1328
Unique ID: WOS:000426012300025

 

 


Polyoxovanadate-alkoxide clusters as multielectron charge carriers for symmetric nonaqueous redox flow batteries
Author Full Names: VanGelder, L. E.; Kosswattaarachchi, A. M.; Forrestel, P. L.; Cook, T. R.; Matson, E. M.
Source: CHEMICAL SCIENCE, 9 (6):1692-1699; 10.1039/c7sc05295b FEB 14 2018
ISSN: 2041-6520 eISSN: 2041-6539
Unique ID: WOS:000424649300035

 

 


Crystal Structures and Electronic Properties of Xe-CI Compounds at High Pressure
Author Full Names: Zarifi, Niloofar; Liu, Hanyu; Tse, John S.; Zurek, Eva
Source: JOURNAL OF PHYSICAL CHEMISTRY C, 122 (5):2941-2950; 10.1021/acs.jpcc.7b10810 FEB 8 2018
ISSN: 1932-7447
Unique ID: WOS:000424955400053

 

 


Synthesis and micellization of block copolymer based on host-guest recognition and double disulphide linkage for intracellular drug delivery
Author Full Names: Zhang, Zhen; He, Changyu; Tan, Lianjiang; Liu, Bingya; Zhu, Zhenggang; Gong, Bing; Shen, Yu-Mei
Source: POLYMER BULLETIN, 75 (3):1149-1169; 10.1007/s00289-017-2086-z MAR 2018
ISSN: 0170-0839 eISSN: 1436-2449
Unique ID: WOS:000425107700016

 

 


Concentration-dependent charge-discharge characteristics of non-aqueous redox flow battery electrolyte combinations
Author Full Names: Kosswattaarachchi, Anjula M.; Cook, Timothy R.
Source: ELECTROCHIMICA ACTA, 261 296-306; 10.1016/j.electacta.2017.12.131 JAN 20 2018
ISSN: 0013-4686 eISSN: 1873-3859
Unique ID: WOS:000424635600035

 

 


The effect of manganese exposure in Atp13a2-deficient mice
Author Full Names: Fleming, Sheila M.; Santiago, Nicholas A.; Mullin, Elizabeth J.; Pamphile, Shanta; Karkare, Swagata; Lemkuhl, Andrew; Ekhator, Osunde R.; Linn, Stephen C.; Holden, John G.; Aga, Diana S.; Roth, Jerome A.; Liou, Benjamin; Sun, Ying; Shull, Gary E.; Schultheis, Patrick J.
Source: NEUROTOXICOLOGY, 64 256-266; SI 10.1016/j.neuro.2017.06.005 JAN 2018
ISSN: 0161-813X eISSN: 1872-9711
Unique ID: WOS:000424534200029 PubMed ID: 28595912

 

 


Enhanced fatigue resistance of suppressed hysteresis in perovskite solar cells by an organic crosslinker
Author Full Names: Lim, Chang-Keun; Li, Qi; Zhang, Tianmu; Thomay, Tim; Cartwright, Alexander N.; Swihart, Mark T.; Prasad, Paras N.
Source: SOLAR ENERGY MATERIALS AND SOLAR CELLS, 176 30-35; 10.1016/j.solmat.2017.11.032 MAR 2018
ISSN: 0927-0248 eISSN: 1879-3398
Unique ID: WOS:000423643800004

 

 


Neuroprotective effects of a biodegradable poly(lactic-co-glycolic acid)-ginsenoside Rg3 nanoformulation: a potential nanotherapy for Alzheimer's disease?
Author Full Names: Aalinkeel, Ravikumar; Kutscher, Hilliard L.; Singh, Ajay; Cwiklinski, Katherine; Khechen, Noor; Schwartz, Stanley A.; Prasad, Paras N.; Mahajan, Supriya D.
Source: JOURNAL OF DRUG TARGETING, 26 (2):182-193; 10.1080/1061186X.2017.1354002 2018
ISSN: 1061-186X eISSN: 1029-2330
Unique ID: WOS:000423412800009 PubMed ID: 28697660

 

 


Toxicity profile of organic extracts from Magdalena River sediments
Author Full Names: Tejeda-Benitez, Lesly; Noguera-Oviedo, Katia; Aga, Diana S.; Olivero-Verbel, Jesus
Source: ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH, 25 (2):1519-1532; 10.1007/s11356-017-0364-9 JAN 2018
ISSN: 0944-1344 eISSN: 1614-7499
Unique ID: WOS:000419944100050

 

 


Exciton coupling in diketopyrrolopyrrole-helicene derivatives leads to red and near-infrared circularly polarized luminescence
Author Full Names: Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Jean, Marion; Vanthuyne, Nicolas; Zinna, Francesco; Jamoussi, Bassem; Di Bari, Lorenzo; Autschbach, Jochen; Crassous, Jeanne
Source: CHEMICAL SCIENCE, 9 (3):735-742; 10.1039/c7sc04312k JAN 21 2018
ISSN: 2041-6520 eISSN: 2041-6539
Unique ID: WOS:000422947000026

 

 


Fe(II) and Co(II) N-methylated CYCLEN complexes as paraSHIFT agents with large temperature dependent shifts
Author Full Names: Tsitovich, Pavel B.; Tittiris, Timothy Y.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.
Source: DALTON TRANSACTIONS, 47 (3):916-924; 10.1039/c7dt03812g JAN 21 2018
ISSN: 1477-9226 eISSN: 1477-9234
Unique ID: WOS:000422643800035 PubMed ID: 29260180

Criticality of Symmetry in Rational Design of Chalcogenide Perovskites
Author Full Names: Nijamudheen, A.; Akimov, Alexey V.
Source: JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 9 (1):248-257; 10.1021/acs.jpclett.7b02589 JAN 4 2018
ISSN: 1948-7185
Unique ID: WOS:000419750900039 PubMed ID: 29275636

 

 


Extremely Cost-Effective and Efficient Solar Vapor Generation under Nonconcentrated Illumination Using Thermally Isolated Black Paper
Author Full Names: Liu, Zhejun; Song, Haomin; Ji, Dengxin; Li, Chenyu; Cheney, Alec; Liu, Youhai; Zhang, Nan; Zeng, Xie; Chen, Borui; Gao, Jun; Li, Yuesheng; Liu, Xiang; Aga, Diana; Jiang, Suhua; Yu, Zongfu; Gan, Qiaoqiang
Source: GLOBAL CHALLENGES, 1 (2):10.1002/gch2.201600003 FEB 27 2017
Article Number: 1600003
ISSN: 2056-6646
Unique ID: WOS:000419786400002

 

 


Multivariate analysis of attachment of biofouling organisms in response to material surface characteristics
Author Full Names: Gatley-Montross, Caitlyn M.; Finlay, John A.; Aldred, Nick; Cassady, Harrison; Destino, Joel F.; Orihuela, Beatriz; Hickner, Michael A.; Clare, Anthony S.; Rittschof, Daniel; Holm, Eric R.; Detty, Michael R.
Source: BIOINTERPHASES, 12 (5):10.1116/1.5008988 DEC 2017
Article Number: 051003
ISSN: 1934-8630 eISSN: 1559-4106
Unique ID: WOS:000418942300001

 

 


XTALOPT version r 1 1: An open-source evolutionary algorithm for crystal structure prediction
Author Full Names: Avery, Patrick; Falls, Zackary; Zurek, Eva
Source: COMPUTER PHYSICS COMMUNICATIONS, 222 418-419; 10.1016/j.cpc.2017.09.011 JAN 2018
ISSN: 0010-4655 eISSN: 1879-2944
Unique ID: WOS:000418969900032

 

 


Ramanomics: New Omics Disciplines Using Micro Raman Spectrometry with Biomolecular Component Analysis for Molecular Profiling of Biological Structures
Authors: Kuzmin, AN; Pliss, A; Prasad, PN
Author Full Names: Kuzmin, Andrey N.; Pliss, Artem; Prasad, Paras N.
Source: BIOSENSORS-BASEL, 7 (4):10.3390/bios7040052 DEC 2017
Article Number: 52
ISSN: 2079-6374
Unique ID: WOS:000419186900012

 

C-13 metabolic flux profiling of Pichia pastoris grown in aerobic batch cultures on glucose revealed high relative anabolic use of TCA cycle and limited incorporation of provided precursors of branched-chain amino acids
Author Full Names: Zhang, Meng; Yu, Xiao-Wei; Xu, Yan; Jouhten, Paula; Swapna, Gurla V. T.; Glaser, Ralf W.; Hunt, John F.; Montelione, Gaetano T.; Maaheimo, Hannu; Szyperski, Thomas
Source: FEBS JOURNAL, 284 (18):3100-3113; 10.1111/febs.14180 SEP 2017
ISSN: 1742-464X  eISSN: 1742-4658
Unique ID: WOS:000417155900012  PubMed ID: 28731268

Synthesis and One-Dimensional Assembly of Cylindrical Polymer Nanoparticles Prepared from Tricomponent Bottlebrush Copolymers
Author Full Names: Onbulak, Sebla; Rzayev, Javid
Source: JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, 55 (23):3868-3874; 10.1002/pola.28771 DEC 1 2017
ISSN: 0887-624X  eISSN: 1099-0518
Unique ID: WOS:000417413900007

Exploiting the 3-Aminopropyltriethoxysilane (APTES) autocatalytic nature to create bioconjugated microarrays on hydrogen-passivated porous silicon
Author Full Names: Coombs, Sidney G.; Khodjaniyazova, Sitora; Bright, Frank V.
Source: TALANTA, 177 26-33; 10.1016/j.talanta.2017.09.038 JAN 15 2018
ISSN: 0039-9140  eISSN: 1873-3573
Unique ID: WOS:000416394300005  PubMed ID: 29108579

Toward a Comprehensive Strategy to Mitigate Dissemination of Environmental Sources of Antibiotic Resistance
Author Full Names: Vikesland, Peter J.; Pruden, Amy; Alvarez, Pedro J. J.; Aga, Diana; Burgmann, Helmut; Li, Xiang-dong; Manaia, Celia M.; Nambi, Indumathi; Wigginton, Krista; Zhang, Tong; Zhu, Yong-Guan
Source: ENVIRONMENTAL SCIENCE & TECHNOLOGY, 51 (22):13061-13069; 10.1021/acs.est.7b03623 NOV 21 2017
ISSN: 0013-936X  eISSN: 1520-5851
Unique ID: WOS:000416496700001  PubMed ID: 28976743

Enzyme Architecture: Erection of Active Orotidine 5'-Monophosphate Decarboxylase by Substrate-Induced Conformational Changes
Author Full Names: Reyes, Archie C.; Amyes, Tina L.; Richard, John P.
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139 (45):16048-16051; 10.1021/jacs.7b08897 NOV 15 2017
ISSN: 0002-7863
Unique ID: WOS:000415785900007  PubMed ID: 29058891

Interplay between structure and chiral properties of polyfluorene derivatives
Author Full Names: Nowacki, Bruno; Zanlorenzi, Cristiano; Baev, Alexander; Prasad, Paras N.; Akcelrud, Leni
Source: POLYMER, 132 98-105; 10.1016/j.polymer.2017.07.082 DEC 6 2017
ISSN: 0032-3861  eISSN: 1873-2291
Unique ID: WOS:000416042500011

 


Nonlinear Photoacoustic Imaging by in Situ Multiphoton Upconversion and Energy Transfer
Author Full Names: Wang, Depeng; Wei, Wei; Singh, Ajay; He, Guang S.; Kannan, Ramamurthi; Tan, Loon-Seng; Chen, Guanying; Prasad, Paras N.; Xia, Jun
Source: ACS PHOTONICS, 4 (11):2699-2705; 10.1021/acsphotonics.7b00399 NOV 2017
ISSN: 2330-4022
Unique ID: WOS:000415786300011


Stable ICG-loaded upconversion nanoparticles: silica core/shell theranostic nanoplatform for dual-modal upconversion and photoacoustic imaging together with photothermal therapy
Author Full Names: Lv, Ruichan; Wang, Depeng; Xiao, Liyang; Chen, Guanying; Xia, Jun; Prasad, Paras N.
Source: SCIENTIFIC REPORTS, 7 10.1038/s41598-017-16016-x NOV 16 2017
Article Number: 15753
ISSN: 2045-2322
Unique ID: WOS:000415282900068  PubMed ID: 29147000
Enforced Tubular Assembly of Electronically Different Hexakis(m-Phenylene Ethynylene) Macrocycles: Persistent Columnar Stacking Driven by Multiple Hydrogen-Bonding Interactions
Author Full Names: Zhong, Yulong; Yang, Yi; Shen, Yi; Xu, Wenwu; Wang, Qiuhua; Connor, Alan L.; Zhou, Xibin; He, Lan; Zeng, Xiao Cheng; Shao, Zhifeng; Lu, Zhong-lin; Gong, Bing
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139 (44):15950-15957; 10.1021/jacs.7b09647 NOV 8 2017
ISSN: 0002-7863
Unique ID: WOS:000415028200057  PubMed ID: 29041774
Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework
Author Full Names: Martell, Jeffrey D.; Porter-Zasada, Leo B.; Forse, Alexander C.; Siegelman, Rebecca L.; Gonzalez, Miguel I.; Oktawiec, Julia; Runcevski, Tomce; Xu, Jiawei; Srebro-Hooper, Monika; Milner, Phillip J.; Colwell, Kristen A.; Autschbach, Jochen; Reimer, Jeffrey A.; Long, Jeffrey R.
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139 (44):16000-16012; 10.1021/jacs.7b09983 NOV 8 2017
ISSN: 0002-7863
Unique ID: WOS:000415028200063  PubMed ID: 28991466

Stereoselective and Regioselective Synthesis of Heterocycles via Copper-Catalyzed Additions of Amine Derivatives and Alcohols to Alkenes
Author Full Names: Chemler, Sherry R.; Karyakarte, Shuklendu D.; Khoder, Zainab M.
Source: JOURNAL OF ORGANIC CHEMISTRY, 82 (21):11311-11325; 10.1021/acs.joc.7b02072 NOV 3 2017
ISSN: 0022-3263
Unique ID: WOS:000414724000001  PubMed ID: 28910106

An Fe-III Azamacrocyclic Complex as a pH-Tunable Catholyte and Anolyte for Redox-Flow Battery Applications
Author Full Names: Tsitovich, Pavel B.; Kosswattaarachchi, Anjula M.; Crawley, Matthew R.; Tittiris, Timothy Y.; Cook, Timothy R.; Morrow, Janet R.
Source: CHEMISTRY-A EUROPEAN JOURNAL, 23 (61):15327-15331; 10.1002/chem.201704381 NOV 2 2017
ISSN: 0947-6539
eISSN: 1521-3765
Unique ID: WOS:000414351400012
PubMed ID: 28929548


Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms
Author Full Names: Carter, Korey P.; Kalaj, Mark; Surbella, Robert G., III; Ducati, Lucas C.; Autschbach, Jochen; Cahill, Christopher L.
Source: CHEMISTRY-A EUROPEAN JOURNAL, 23 (61):15355-15369; 10.1002/chem.201702744 NOV 2 2017
ISSN: 0947-6539
eISSN: 1521-3765
Unique ID: WOS:000414351400016
PubMed ID: 28707416


A reevaluation of the origin of the rate acceleration for enzyme-catalyzed hydride transfer
Author Full Names: Reyes, Archie C.; Amyes, Tina L.; Richard, John P.
Source: ORGANIC & BIOMOLECULAR CHEMISTRY, 15 (42):8856-8866; 10.1039/c7ob01652b NOV 14 2017
ISSN: 1477-0520
eISSN: 1477-0539
Unique ID: WOS:000414242100001
PubMed ID: 28956050


Primary Deuterium Kinetic Isotope Effects From Product Yields: Rationale, Implementation, and Interpretation
Author Full Names: Amyes, Tina L.; Richard, John P.
Edited by: Harris ME; Anderson VE
Source: MEASUREMENT AND ANALYSIS OF KINETIC ISOTOPE EFFECTS, 596 163-177; 10.1016/bs.mie.2017.06.043 2017
Book Series: Methods in Enzymology
ISSN: 0076-6879
ISBN: 978-0-12-812273-0
Unique ID: WOS:000414420200008
PubMed ID: 28911770


Optimizing extraction and analysis of pharmaceuticals in human urine, struvite, food crops, soil, and lysimeter water by liquid chromatography-tandem mass spectrometry
Author Full Names: Mullen, Rachel A.; Wigginton, Krista R.; Noe-Hays, Abraham; Nace, Kim; Love, Nancy G.; Bott, Charles B.; Aga, Diana S.
Source: ANALYTICAL METHODS, 9 (41):5952-5962; 10.1039/c7ay01801k NOV 7 2017
ISSN: 1759-9660
eISSN: 1759-9679
Unique ID: WOS:000413866300004


Hybrid organic-inorganic crystal structure of 4-(dimethylamino)pyridinium dimethylammonium tetrachloridolead(II)
Author Full Names: Benson, Cassidy A.; Bateman, Gage; Cox, Jordan M.; Benedict, Jason B.
Source: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 73 1670-+; 10.1107/S2056989017014062 11 NOV 2017
ISSN: 2056-9890
Unique ID: WOS:000414101100016


Photoactive and Physical Properties of an Azobenzene-Containing Coordination Framework
Author Full Names: Caddy, James S.; Faust, Thomas B.; Walton, Ian M.; Cox, Jordan M.; Benedict, Jason B.; Solomon, Marcello B.; Southon, Peter D.; Kepert, Cameron J.; D'Alessandro, Deanna M.
Source: AUSTRALIAN JOURNAL OF CHEMISTRY, 70 (11):1171-1179; 10.1071/CH17215 2017
ISSN: 0004-9425
eISSN: 1445-0038
Unique ID: WOS:000414119500003


Stochastic and Quasi-Stochastic Hamiltonians for Long-Time Nonadiabatic Molecular Dynamics
Author Full Names: Akimov, Alexey V.
Source: JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 8 (20):5190-5195; 10.1021/acs.jpclett.7b02185 OCT 19 2017
ISSN: 1948-7185
Unique ID: WOS:000413798300035


Depletion of stercobilin in fecal matter from a mouse model of autism spectrum disorders
Author Full Names: Sekera, Emily R.; Rudolph, Heather L.; Carro, Stephen D.; Morales, Michael J.; Bett, Glenna C. L.; Rasmusson, Randall L.; Wood, Troy D.
Source: METABOLOMICS, 13 (11):10.1007/s11306-017-1277-9 NOV 2017
Article Number: 132
ISSN: 1573-3882
eISSN: 1573-3890
Unique ID: WOS:000413603800008


Macromolecular Profiling of Organelles in Normal Diploid and Cancer Cells
Author Full Names: Levchenko, Svitlana M.; Kuzmin, Andrey N.; Pliss, Artem; Qu, Junle; Prasad, Paras N.
Source: ANALYTICAL CHEMISTRY, 89 (20):10985-10990; 10.1021/acs.analchem.7b02822 OCT 17 2017
ISSN: 0003-2700
eISSN: 1520-6882
Unique ID: WOS:000413392500047
PubMed ID: 28910082


Dopamine-mediated photothermal theranostics combined with up-conversion platform under near infrared light
Author Full Names: Lv, Ruichan; Yang, Piaoping; Chen, Guanying; Gai, Shili; Xu, Jiating; Prasad, Paras N.
Source: SCIENTIFIC REPORTS, 7 10.1038/s41598-017-13284-5 OCT 19 2017
Article Number: 13562
ISSN: 2045-2322
Unique ID: WOS:000413191500001


Locking and Unlocking the Molecular Spin Crossover Transition
Author Full Names: Zhang, Xin; Costa, Paulo S.; Hooper, James; Miller, Daniel P.; N'Diaye, Alpha T.; Beniwal, Sumit; Jiang, Xuanyuan; Yin, Yuewei; Rosa, Patrick; Routaboul, Lucie; Gonidec, Mathieu; Poggini, Lorenzo; Braunstein, Pierre; Doudin, Bernard; Xu, Xiaoshan; Enders, Axel; Zurek, Eva; Dowben, Peter A.
Source: ADVANCED MATERIALS, 29 (39):10.1002/adma.201702257 OCT 18 2017
Article Number: 1702257
ISSN: 0935-9648
eISSN: 1521-4095
Unique ID: WOS:000412925600012


INTEGRATED ASSESSMENT OF AQUEOUSLY EXTRACTABLE ESTROGENS IN MUNICIPAL BIOSOLIDS AFTER PILOT-SCALE COMPOSTING
Author Full Names: Hammett, K. M.; Mullin, E. J.; Aga, D. S.; Felton, G. K.; Fisher, D. J.; Yonkos, L. T.
Source: TRANSACTIONS OF THE ASABE, 60 (5):1645-1658; 10.13031/trans.12241 2017
ISSN: 2151-0032
eISSN: 2151-0040
Unique ID: WOS:000413277100020


Mass spectrometry-based metabolomics to assess uptake of silver nanoparticles by Arabidopsis thaliana
Author Full Names: Soria, Nita G. Chavez; Montes, Angelina; Bisson, Mary A.; Atilla-Gokcumen, G. Ekin; Aga, Diana S.
Source: ENVIRONMENTAL SCIENCE-NANO, 4 (10):1944-1953; 10.1039/c7en00555e OCT 2017
ISSN: 2051-8153
eISSN: 2051-8161
Unique ID: WOS:000412904200003


Accurate and precise ab initio anharmonic free-energy calculations for metallic crystals: Application to hcp Fe at high temperature and pressure
Author Full Names: Moustafa, Sabry G.; Schultz, Andrew J.; Zurek, Eva; Kofke, David A.
Source: PHYSICAL REVIEW B, 96 (1):10.1103/PhysRevB.96.014117 JUL 26 2017
Article Number: 014117
ISSN: 2469-9950
eISSN: 2469-9969
Unique ID: WOS:000412810700001


RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups (vol 213, pg 208, 2017)
Authors: Avery, P; Zurek, E
Author Full Names: Avery, Patrick; Zurek, Eva
Source: COMPUTER PHYSICS COMMUNICATIONS, 220 509-509; 10.1016/j.cpc.2017.05.017 NOV 2017
ISSN: 0010-4655
eISSN: 1879-2944
Unique ID: WOS:000412252300038


A new Pu(III) coordination geometry in (C5H5NBr)(2)[PuCl3(H2O)(5)].2Cl.2H(2)O as obtained via supramolecular assembly in aqueous, high chloride media
Author Full Names: Surbella, Robert G., III; Ducati, Lucas C.; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon M.; Cahill, Christopher L. Source: CHEMICAL COMMUNICATIONS, 53 (78):10816-10819; 10.1039/c7cc05988d OCT 7 2017
ISSN: 1359-7345
eISSN: 1364-548X
Unique ID: WOS:000411863600017
PubMed ID: 28926048


Spirohexene-Tetrazine Ligation Enables Bioorthogonal Labeling of Class B G Protein-Coupled Receptors in Live Cells
Author Full Names: Ramil, Carlo P.; Dong, Maoqing; An, Peng; Lewandowski, Tracey M.; Yu, Zhipeng; Miller, Laurence J.; Lin, Qing
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139 (38):13376-13386; 10.1021/jacs.71305674 SEP 27 2017
ISSN: 0002-7863
Unique ID: WOS:000412043000021
PubMed ID: 28876923


Electronic Structure and Properties of Berkelium Iodates
Author Full Names: Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; Van Cleve, Shelley M.; Gendron, Frederic; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Koegerler, Paul; Celis-Barros, Cristian; Paez-Hernandez, Dayan; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E.
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139 (38):13361-13375; 10.1021/jacs.7605569 SEP 27 2017
ISSN: 0002-7863
Unique ID: WOS:000412043000020
PubMed ID: 28817775


Realizing 5.4 nm Full Pitch Lamellar Microdomains by a Solid-State Transformation
Author Full Names: Jeong, Gajin; Yu, Duk Man; Mapas, Jose Kenneth D.; Sun, Zhiwei; Rzayev, Javid; Russell, Thomas P.
Source: MACROMOLECULES, 50 (18):7148-7154; 10.1021/acs.macromo1.7b01443 SEP 26 2017
ISSN: 0024-9297
eISSN: 1520-5835
Unique ID: WOS:000411918700015


COMPUTATIONAL INSIGHT TO [ET2NH2][HSO4] IONIC LIQUID CATALYZED MULTISUBSTITUTED IMIDAZOLE SYNTHESIS
Author Full Names: Abbasov, Vaqif M.; Abdullayev, Yusif A.; Ducati, Lucas C.; Talybov, Avtandil H.; Autschbach, Jochen
Source: PROCESSES OF PETROCHEMISTRY AND OIL REFINING, 17 (3):169-181; 2016
ISSN: 1726-4685
eISSN: 2519-2876
Unique ID: WOS:000411952200001


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