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61. KIMBLE: A versatile visual NMR metabolomics workbench in KNIME

Author:
Verhoeven, Aswin; Giera, Martin; Mayboroda, Oleg A.
Source:
Analytica chimica acta 2018 v.1044 pp. 66-76
ISSN:
0003-2670
Subject:
analytical chemistry; biomedical research; computer software; data collection; ketosis; metabolites; metabolomics; nuclear magnetic resonance spectroscopy; statistical analysis; urine; variance
Abstract:
... The problem of reproducibility of scientific research is a serious issue in biomedical sciences. In addition to experimental repeatability, limiting the (pre-) analytical variance is also essential. To address this problem in the field of metabolomics, we have designed KIMBLE, the KNIME-based Integrated MetaBoLomics Environment, a novel platform for the processing and analysis of NMR metabolomics ...
DOI:
10.1016/j.aca.2018.07.070

62. Kinetics Study of Sulfuric Acid Alkylation of Isobutane and Butene Using a Microstructured Chemical System

Author:
Li, Liantang; Zhang, Jisong; Du, Chencan; Wang, Kai; Luo, Guangsheng
Source:
Industrial & engineering chemistry process design and development 2018 v.58 no.3 pp. 1150-1158
ISSN:
1520-5045
Subject:
alkylation; butanes; computer software; mass transfer; models; process design; sulfuric acid; temperature
Abstract:
... The kinetics of sulfuric acid alkylation of isobutane and 2-butene was first determined using a microstructured chemical system, which shows obvious advantages for fast reactions. The concentration of key components, including trimethylpentane (TMP), dimethylhexane (DMH), light end (LE), and heavy end (HE), were obtained at different reaction temperatures. A kinetics model, containing kinetics par ...
DOI:
10.1021/acs.iecr.8b05924

63. Knoxia hookeri (Rubiaceae): A New Species from India

Author:
Lakshminarasimhan, P.
Source:
Harvard papers in botany 2018 v.23 no.2 pp. 333-338
ISSN:
1043-4534
Subject:
Knoxia; new species; India
Abstract:
... A new species, Knoxia hookeri (Rubiaceae), is proposed here, and a discussion about the invalidity of the three previously published names is presented. A dichotomous key is provided to distinguish the two Knoxia species: K. hookeri from K. sumatrensis. The synonymy of both species is presented with comments on typification. ...
DOI:
10.3100/hpib.v23iss2.2018.n17

64. Land Use Pollution Potential of Water Sources Along the Southern Coast of South Africa

Author:
Malherbe, Hanlie; Gebel, Michael; Pauleit, Stephan; Lorz, Carsten
Source:
Change and Adaptation in Socio-Ecological Systems 2018 v.4 no.1 pp. 7-20
ISSN:
2300-3669
Subject:
arid lands; coastal water; coasts; fertilizer application; groundwater; groundwater contamination; irrigated farming; land cover; land use; monitoring; nitrogen; risk; social environment; urban areas; urban development; wastewater; water quality; South Africa
Abstract:
... Since the 1990’s, the groundwater quality along the southern coast of the Western Cape Province of South Africa has been affected by increasing land use activities. Groundwater resources have become increasingly important in terms of providing good quality water. Polluted coastal groundwater as a source of submarine groundwater discharge also affects the quality of coastal water. For this study, l ...
DOI:
10.1515/cass-2018-0002

65. Lectotypification of Gustavia pubescens (Lecythidaceae)

Author:
Cornejo, Xavier
Source:
Harvard papers in botany 2018 v.23 no.2 pp. 187
ISSN:
1043-4534
Subject:
Gustavia; lectotypes; Ecuador
Abstract:
... An amended authorship and lectotypification are proposed for Gustavia pubescens (Lecythidaceae), a treelet endemic to western Ecuador, and its IUCN conservation criteria are assessed. ...
DOI:
10.3100/hpib.v23iss2.2018.n4

66. Lewis Acid–Base Synergistic Catalysis for Polyethylene Terephthalate Degradation by 1,3-Dimethylurea/Zn(OAc)₂ Deep Eutectic Solvent

Author:
Liu, Bo; Fu, Wenzhao; Lu, Xingmei; Zhou, Qing; Zhang, Suojiang
Source:
ACS sustainable chemistry & engineering 2018 v.7 no.3 pp. 3292-3300
ISSN:
2168-0485
Subject:
active sites; biodegradation; catalysts; catalytic activity; energy; ethylene glycol; glycolysis; models; polyethylene terephthalates; salts; solvents; synergism; toxicity; urea; zinc
Abstract:
... Deep eutectic solvents (DESs) become more attractive in the catalytic field due to their biodegradation, low toxicity, and designability. This study focused on the active sites and influencing factors of 1,3-dimethylurea (1,3-DMU) based DESs in the polyethylene terephthalate (PET) glycolysis process. It is found that the active site of urea derivatives is the amino group, and the basicity and ster ...
DOI:
10.1021/acssuschemeng.8b05324

67. Light Processing Enables Efficient Carbon-Based, All-Inorganic Planar CsPbIBr₂ Solar Cells with High Photovoltages

Author:
Zhang, Qianni; Zhu, Weidong; Chen, Dazheng; Zhang, Zeyang; Lin, Zhenhua; Chang, Jingjing; Zhang, Jincheng; Zhang, Chunfu; Hao, Yue
Source:
ACS applied materials & interfaces 2018 v.11 no.3 pp. 2997-3005
ISSN:
1944-8252
Subject:
annealing; solar energy; solar cells; crystal structure; electrodes; lighting; materials science
Abstract:
... Inorganic halide perovskite CsPbIBr₂ possesses the most balanced band gap and stability characters among all of the concerned analogs for carbon-based, all-inorganic solar cells that are free of any hole-transporting layers and noble-metal electrodes. Yet, the current CsPbIBr₂ solar cells seem to deliver the lowest record efficiency. This is originally plagued by a serious energy loss (Eₗₒₛₛ) in t ...
DOI:
10.1021/acsami.8b17839

68. Little Islands Recording Global Events: Late Quaternary Sea Level History and Paleozoogeography of Santa Barbara and Anacapa Islands, Channel Islands National Park, California

Author:
Muhs, Daniel R.; Groves, Lindsey T.
Source:
Western North American naturalist 2018 v.78 no.4 pp. 540-589
ISSN:
1527-0904
Subject:
amino acids; coasts; fauna; fossils; islands; mixing; models; national parks; sea level; shorelines; terraces; California
Abstract:
... Marine terraces are common on the Pacific Coast of North America and record interglacial high-sea stands superimposed on either stable or tectonically rising crustal blocks. Despite many years of study of these landforms in southern California, little work on terraces has been conducted on the two smallest of the California Channel Islands, Santa Barbara Island (SBI) and Anacapa Island (ANA). Pres ...
DOI:
10.3398/064.078.0403

69. Local Environment and Dynamic Behavior of Fluoride Anions in Silicogermanate Zeolites: A Computational Study of the AST Framework

Author:
Fischer, Michael
Source:
Journal of physical chemistry 2018 v.123 no.3 pp. 1852-1865
ISSN:
1932-7455
Subject:
anions; aspartate transaminase; cations; chemical bonding; density functional theory; energy; fluorides; germanium; models; molecular dynamics; nuclear magnetic resonance spectroscopy; silicon; zeolites
Abstract:
... In silicogermanate zeolites containing double four-ring (d4r) building units, the germanium atoms preferentially occupy the corners of these cube-like units, but the absence of long-range order precludes the determination of the preferred arrangements of Si and Ge atoms by means of crystallographic methods. If fluoride anions are present during the synthesis, they are incorporated into these cages ...
DOI:
10.1021/acs.jpcc.8b10770

70. Macaranga stolonifera sp. nov. (Euphorbiaceae), a Bizarre Understory Dwarf from Papua New Guinea

Author:
Takeuchi, Wayne
Source:
Harvard papers in botany 2018 v.23 no.2 pp. 207-211
ISSN:
1043-4534
Subject:
Macaranga; flora; forests; new species; understory; Papua New Guinea
Abstract:
... Macaranga stolonifera sp. nov. is a taxonomic oddity instantly distinguished by its diminutive stature, monocaulous architecture, and stoloniferous habit. In marked contrast to other Papuasian congeners, the new species is found only in dark understories of mature growth forest. This latest addition to the euphorbiaceous flora of New Guinea is described and diagnostically depicted with in situ pho ...
DOI:
10.3100/hpib.v23iss2.2018.n7

71. Microfluidic Adapter Converting a 96-Well Cartridge into an Autonomous Microfluidic Device

Author:
Uddin, M. Jalal; Shim, Joon S.
Source:
Analytical chemistry 2018 v.91 no.4 pp. 2686-2694
ISSN:
1520-6882
Subject:
chemical species; cross contamination; enzyme-linked immunosorbent assay; lab-on-a-chip technology; polydimethylsiloxane; thermoplastics; troponin I
Abstract:
... In this study, an immunosensing platform by integrating a single array of conventional 96-well cartridges with low-cost polydimethylsiloxane (PDMS) pillars and thermoplastic chip was designed and developed to execute enzyme-linked immunosorbent assay (ELISA). The platform provides multiple (eight) reaction chambers for sequentially detecting multiple analytes under similar assay environments. For ...
DOI:
10.1021/acs.analchem.8b04043

72. Microstructural Modeling of Composite Cathodes for All-Solid-State Batteries

Author:
Bielefeld, Anja; Weber, Dominik A.; Janek, Jürgen
Source:
Journal of physical chemistry 2018 v.123 no.3 pp. 1626-1634
ISSN:
1932-7455
Subject:
batteries; cathodes; electrochemistry; electrolytes; energy density; guidelines; mathematical theory; models; particle size; physical chemistry; porosity
Abstract:
... When it comes to energy density, all-solid-state batteries are seen as a promising technology for next-generation electrochemical storage devices. Nevertheless, the performance of all-solid-state cells is still very limited. The reasons are manifold, with insufficient ionic and electronic percolation within the composite cathode being a crucial one. In this work, we investigate percolation charact ...
DOI:
10.1021/acs.jpcc.8b11043

73. Minimizing Star–Star Coupling in Cu(0)-Mediated Controlled Radical Polymerizations

Author:
van Ravensteijn, Bas G. P.; Bou Zerdan, Raghida; Helgeson, Matthew E.; Hawker, Craig J.
Source:
Macromolecules 2018 v.52 no.2 pp. 601-609
ISSN:
1520-5835
Subject:
composite polymers; copper; molecular weight; polyacrylic acid; polymerization
Abstract:
... Conditions for the synthesis of star-shaped polymers via controlled radical polymerization (CRP) with minimized star–star coupling are presented. By systematically grafting a variety of polyacrylates (methyl acrylate, tert-butyl acrylate, hexyl acrylate, 2-ethylhexyl acrylate) from cores carrying 4–8 initiating sites, it was found that traditional factors increasing star–star coupling, (i) the num ...
DOI:
10.1021/acs.macromol.8b02375

74. Molecular Dynamics Study of Kinetic Hydrate Inhibitors: The Optimal Inhibitor Size and Effect of Guest Species

Author:
Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki
Source:
Journal of physical chemistry 2018 v.123 no.3 pp. 1806-1816
ISSN:
1932-7455
Subject:
ammonium; gas hydrate; ingredients; molecular dynamics; molecular weight; polymers; quaternary ammonium compounds; simulation models; tetrahydrofuran
Abstract:
... We propose a model for slowing down of clathrate hydrate formation caused by kinetic hydrate inhibitors (KHIs) on the basis of the Gibbs–Thomson effect. The residence time of inhibitor molecules bound to the hydrate surface and the intrinsic growth rate of the clathrate hydrate without KHIs are key ingredients of the model. The binding free energies of the monomer, dimer, tetramer, and octamer of ...
DOI:
10.1021/acs.jpcc.8b09834

75. Multilevel Adaptive Control of Alternating Aeration Cycles in Wastewater Treatment to Improve Nitrogen and Phosphorous Removal and to Obtain Energy Saving

Author:
Martín de la Vega, Pedro T.; Jaramillo-Morán, Miguel A.
Source:
Water 2018 v.11 no.1
ISSN:
2073-4441
Subject:
aeration; ammonium; dissolved oxygen; energy; energy conservation; nitrates; nitrogen; organic matter; oxygen; phosphorus; pollution load; prototypes; redox potential; wastewater treatment
Abstract:
... This work presents an adaptive control of the process of alternating aeration/non-aeration cycles for wastewater treatment. It is aimed at improving nitrogen and phosphorous removal efficiency and reducing energy consumption. It comprises two control levels. The first decides when to switch on and off aeration by comparing the Dissolved Oxygen (DO) and the Oxidation Reduction Potential (ORP) with ...
DOI:
10.3390/w11010060

76. New Combinations in Euploca (Heliotropiaceae) from South America

Author:
Melo, José Iranildo Miranda de; Gonçalves, Márcio Gleisson Medeiros
Source:
Harvard papers in botany 2018 v.23 no.2 pp. 205-206
ISSN:
1043-4534
Subject:
Heliotropiaceae; new combination; Peru
Abstract:
... Four new combinations in Euploca from South America (Heliotropiaceae), all them endemic to Peru, are proposed in this paper: Euploca lobbii, Euploca oxyloba, Euploca polyanthella, and Euploca toratensis. ...
DOI:
10.3100/hpib.v23iss2.2018.n6

77. New Names in Indian and Sri Lankan Orchids

Author:
Ormerod, Paul; Kumar, C. Sathish
Source:
Harvard papers in botany 2018 v.23 no.2 pp. 281-284
ISSN:
1043-4534
Subject:
Dendrobium; new combination; new species; nomen novum; India; Sri Lanka
Abstract:
... A reinstatement, three new combinations, and one new species are proposed for orchids that occur in India and Sri Lanka. The name that is reinstated is Dendrobium crispum, with D. peguanum treated as a synonym; the new combinations are Cylindrolobus lindleyi, Peristylus caranjensis, and Trichotosia thwaitesii; and Dendrobium turbinatum is proposed as a new species. ...
DOI:
10.3100/hpib.v23iss2.2018.n12

78. Notes on the Nomenclature of Neotropical Capparaceae: An Answer to Global flora

Author:
Cornejo, Xavier
Source:
Harvard papers in botany 2018 v.23 no.2 pp. 179-185
ISSN:
1043-4534
Subject:
Capparaceae; Neotropics; flora; new combination
Abstract:
... The 90 new combinations on Neotropical Capparaceae published in The Global Flora (Plant Gateway, 2018) are here discussed and clarified. On the basis of morphologic and molecular studies, the name of Morisonia L. cannot be applied in a broad sense for all Neotropical Capparaceae. Therefore, the names proposed by Christenhusz and Byng are placed in synonymy here. ...
DOI:
10.3100/hpib.v23iss2.2018.n3

79. Notes on Zeuxine Lindl. (Orchidaceae: Goodyerinae)

Author:
Ormerod, Paul
Source:
Harvard papers in botany 2018 v.23 no.2 pp. 269-277
ISSN:
1043-4534
Subject:
Zeuxine; new species; Cambodia; Thailand
Abstract:
... Notes are supplied on various species of the Jewel Orchid genus Zeuxine, particularly those taxa found in western Malesia, nearby Thailand, and Cambodia. Narrower circumscriptions are proposed for Z. gracilis and Z. parvifolia, whereas Z. flava is expanded into a broader concept. Zeuxine leucochila is reinstated, and the identities of Z. exilis and Z. rupestris are clarified. Zeuxine leucochila va ...
DOI:
10.3100/hpib.v23iss2.2018.n10

80. Novel Robust Least-Squares Estimator for Linear Dynamic Data Reconciliation

Author:
Zhang, Rui; Zhang, Yi; Feng, Yiping; Rong, Gang
Source:
Industrial & engineering chemistry process design and development 2018 v.58 no.5 pp. 2071-2083
ISSN:
1520-5045
Subject:
algorithms; case studies; least squares; process design; uncertainty
Abstract:
... Dynamic data reconciliation (DDR) is used to reduce the uncertainties in process measurement. Conventional data reconciliation theories and methods are based on least-squares estimation, whose conditions are hard to meet in real-world applications. Since least-squares estimators can be made robust by equivalent weight, many works concentrated on robust estimators and their performance in data reco ...
DOI:
10.1021/acs.iecr.8b04853