bluuebunny/crossref_metadata_2025_split huggingface dataset:
The relationship between light intensity, cannabis yields, and profitability
Authors: Eaves James , Eaves Stephen , Morphy Chad , Murray Chris 
Published: February 2020

AbstractThe purpose of this study was to analyze the relationship between light intensity, cannabis (Cannabis sativa L.) yields, and profitability. We also look for evidence that spectrum differences across broad‐spectrum horticulture lights and general‐purpose LEDs affect the relationship between yield and light intensity. Finally, we discuss the financial return of increasing light intensity in order to increase yields. We found that yields increase linearly with light intensity up to at least 1500 µmol m–2 s–1, which is at least twice the intensity that is most commonly used by cannabis growers. That relationship did not appear to be influenced by spectrum quality differences among the lamps included in the study. Finally, for all the intensity ranges that we considered, the value of the gain in yields from increasing light intensity far exceeded the cost of using more electricity.
The effect of liquid viscosity and modeling of mass transfer in gas–liquid slug flow in a rectangular microchannel
Authors: Yao Chaoqun , Zhao Yuchao , Zheng Jia , Zhang Qi , Chen Guangwen 
Published: February 2020

AbstractBoth chemical (by adding 0.05 M NaOH) and physical absorption of CO2 into aqueous glycerol solutions with viscosity up to 45.6 mPa·s in a microchannel are investigated. The concentration distribution pattern, absorption time, and mass transfer coefficient are analyzed and discussed. A new concentration distribution pattern is observed with the lowest concentration locating at the channel center. It is shown for the first time that presents a positive relationship with liquid viscosity, which is explained by the essential role of the mass exchange between the liquid film and bulk liquid slug. This mass exchange may lead to a rise in k
L when increasing the liquid viscosity under some cases in chemical absorption. A mass transfer model is successfully applied to predict the bubble size evolution in physical absorption. The model also shows about 10–46% of the mass transfer contribution from liquid films before saturation.
Expanding the genotypic spectrum of Jalili syndrome: Novel CNNM4 variants and uniparental isodisomy in a north American patient cohort
Authors: Prasov Lev , Ullah Ehsan , Turriff Amy E. , Warner Blake M. , Conley Julie , Mark Paul R. , Hufnagel Robert B. , Huryn Laryssa A. 
Published: February 2020

AbstractJalili syndrome is a rare multisystem disorder with the most prominent features consisting of cone‐rod dystrophy and amelogenesis imperfecta. Few cases have been reported in the Americas. Here we describe a case series of patients with Jalili syndrome examined at the National Eye Institute's Ophthalmic Genetics clinic between 2016 and 2018. Three unrelated sporadic cases were systematically evaluated for ocular phenotype and determined to have cone‐rod dystrophy with bull's eye maculopathy, photophobia, and nystagmus. All patients had amelogenesis imperfecta. Two of these patients had Guatemalan ancestry and the same novel homozygous CNNM4 variant (p.Arg236Trp c.706C > T) without evidence of consanguinity. This variant met likely pathogenic criteria by the American College of Medical Genetics guidelines. An additional patient had a homozygous deleterious variant in CNNM4 (c.279delC p.Phe93Leufs*31), which resulted from paternal uniparental isodisomy for chromosome 2p22‐2q37. This individual had additional syndromic features including developmental delay and spastic diplegia, likely related to mutations at other loci. Our work highlights the genotypic variability of Jalili syndrome and expands the genotypic spectrum of this condition by describing the first series of patients seen in the United States.
Maternal weight affects placental DNA methylation of genes involved in metabolic pathways in the common marmoset monkey (Callithrix jacchus)
Authors: Narapareddy Laren , Wildman Derek E. , Armstrong Don L. , Weckle Amy , Bell Aleeca F. , Patil Crystal L. , Tardif Suzette D. , Ross Corinna N. , Rutherford Julienne N. 
Published: February 2020

AbstractAccumulating evidence suggests that dysregulation of placental DNA methylation (DNAm) is a mechanism linking maternal weight during pregnancy to metabolic programming outcomes. The common marmoset, Callithrix jaccus, is a platyrrhine primate species that has provided much insight into studies of the primate placenta, maternal condition, and metabolic programming, yet the relationships between maternal weight and placental DNAm are unknown. Here, we report genome‐wide DNAm from term marmoset placentas using reduced representation bisulfite sequencing. We identified 74 genes whose DNAm pattern is associated with maternal weight during gestation. These genes are predominantly involved in energy metabolism and homeostasis, including the regulation of glycolytic and lipid metabolic processes pathways.
Reagenzien für die selektive Fluormethylierung: Herausforderungen der Organofluorchemie
Authors: Reichel Marco , Karaghiosoff Konstantin 
Published: February 2020

AbstractDie Einführung einer CH2F‐Gruppe in organische Moleküle ist in den letzten Jahren zweifellos zu einem sehr wichtigen Forschungsgebiet geworden. Aufgrund der vorteilhaften Eigenschaften von Organofluorverbindungen – wie ihre metabolische Stabilität – ist der Einbau der CH2F‐Gruppe als bioisosterer Ersatz für verschiedene funktionelle Gruppen eine attraktive Strategie, um z. B. neue Medikamente zu entwickeln. Darüber hinaus findet die Monofluormethyleinheit auch in der Agrochemie, in der pharmazeutischen Chemie und in der Feinchemie einen breiten Einsatz. Aufgrund des menschengemachten Klimawandels und des wachsenden Bedarfs an umweltfreundlichen industriellen Prozessen sind Alternativen zu den häufig verwendeten Fluormethylierungsmitteln auf FCKW‐ und HFBKW‐Basis (CH2FCl und CH2FBr) dringend erforderlich und im Montrealer Protokoll auch gefordert. Dies hat in letzter Zeit viele Forscher dazu veranlasst, die Entwicklung umweltfreundlicher Fluormethylierungsmittel zu entwickeln. Dieser Kurzaufsatz umfasst sowohl die klassischen als auch die neue Generation von Fluormethylierungsmitteln. Es werden Reagenzien und deren Vorläuferverbindungen diskutiert, die sowohl direkt als auch indirekt über elektrophile und nukleophile als auch radikalische Wege reagieren.
Ein Periodensystem der supramolekularen Elemente
Authors: Schmidt Hans‐Werner , Würthner Frank 
Published: February 2020

AbstractDie Chemie jenseits des Moleküls basiert auf schwachen, nicht‐kovalenten und damit reversiblen Wechselwirkungen. Als Folge dieser schwachen Bindungen kann eine strukturelle Organisation durch Faltung und Selbstorganisation üblicherweise nur für größere Moleküle stattfinden, die multiple Kontaktstellen aufweisen. Heute lassen sich solche “Supramoleküle” synthetisieren und ihre Faltungen in gewünschte Konformationen vorhersagen. Durch das Schaffen nicht‐natürlicher Einheiten, die aus molekularen Bausteinen mit definierten Sekundärstrukturen bestehen, kann eine neue Ebene der Chemie realisiert werden. Hier definieren wir diese Bausteine als “supramolekulare Elemente”. Wir erwarten, dass eine zunehmende Ausrichtung der Forschung auf große Moleküle Konstruktionsprinzipien aufdecken wird, die von wiederkehrenden Motiven beherrscht werden, welche die Strukturbildung durch Faltung und Selbstorganisation steuern. Diese Prinzipien sind mit der Organisation von Atomen im Periodensystem der Elemente vergleichbar. Daher können diese Organisationsprinzipien auch zur Entwicklung eines Periodensystems der supramolekularen Elemente führen.
Excimer‐ und Exciplex‐Bildung in durch aurophile Wechselwirkungen präkonditionierten Gold(I)‐ Komplexen
Authors: Schmidbaur Hubert , Raubenheimer Helgard G. 
Published: February 2020

AbstractExcimere und Exciplexe sind definiert als Aggregate von Atomen oder Molekülen A/A′, in denen es nur in angeregten Zuständen [A2]* und [AA′]* zu interatomaren/‐molekularen Bindungen kommt. Ihre Bildung wurde weithin bekannt durch ihre Bedeutung in Gasphasen‐Lasertechnologien. Jüngste Untersuchungen in der Goldchemie haben der Excimer‐ und Exciplex‐Chemie ein neues Gebiet eröffnet, das hauptsächlich durch die Aggregation von Gold(I)‐Verbindungen (AuI(5d10)) über aurophile Kontakte bedingt wird. In den zugehörigen Excimeren entstehen Au–Au‐Bindungen mit Bindungsenergien und ‐abständen, die denen im Grundzustand von Au0(5d106s1)‐ und AuII(5d9)‐Verbindungen entsprechen. Der aktuelle Kenntnisstand über Excimere und Exciplexe in der Goldchemie wird hier vorgestellt, vorwiegend an einfachen Beispielen wie der Assoziation von [Au(CN)2]−‐Anionen in Festkörpern und in Lösung. Die Excimer‐Bildung führt zu einem breiten Spektrum an photophysikalischen Effekten, deren Relaxationsdynamik in einigen Fällen kürzlich aufgeklärt wurde. Excimere sind aktuell auch von großer Bedeutung auf dem Gebiet der “photoredox binuclear gold catalysis”.
Continuous and Segmented Semiconducting Fiber‐like Nanostructures with Spatially Selective Functionalization by Living Crystallization‐Driven Self‐Assembly
Authors: Tao Daliao , Wang Zhiqin , Huang Xiaoyu , Tian Mingwei , Lu Guolin , Manners Ian , Winnik Mitchell A. , Feng Chun 
Published: February 2020

AbstractFiber‐like π‐conjugated nanostructures are important components of flexible organic electronic and optoelectronic devices. To broaden the range of potential applications, one needs to control not only the length of these nanostructures, but the introduction of diverse functionality with spatially selective control. Here we report the synthesis of a crystalline‐coil block copolymer of oligo(p‐phenylenevinylene)‐b‐poly(2‐vinylpyridine) (OPV5‐b‐P2VP44), in which the basicity and coordinating/chelating ability of the P2VP segment provide a landscape for the incorporation of a variety of functional inorganic NPs. Through a self‐seeding strategy, we were able to prepare monodisperse fiber‐like micelles of OPV5‐b‐P2VP44 with lengths ranging from 50 to 800 nm. Significantly, the exposed two ends of OPV core of these fiber‐like micelles remained active toward further epitaxial deposition of OPV5‐b‐PNIPAM49 and OPV5‐b‐P2VP44 to generate uniform A‐B‐A and B‐A‐B‐A‐B segmented block comicelles with tunable lengths for each block. The P2VP domains in these (co‐)micelles can be selectively decorated with inorganic and polymeric nanoparticles as well as metal oxide coatings, to afford hybrid fiber‐like nanostructures. This work provides a versatile strategy toward the fabrication of narrow length dispersity continuous and segmented π‐conjugated OPV‐containing fiber‐like micelles with the capacity to be decorated in a spatially selective way with varying functionalities.
Reagents for Selective Fluoromethylation: A Challenge in Organofluorine Chemistry
Authors: Reichel Marco , Karaghiosoff Konstantin 
Published: February 2020

AbstractThe introduction of a monofluoromethyl moiety has undoubtedly become a very important area of research in recent years. Owing to the beneficial properties of organofluorine compounds, such as their metabolic stability, the incorporation of the CH2F group as a bioisosteric substitute for various functional groups is an attractive strategy for the discovery of new pharmaceuticals. Furthermore, the monofluoromethyl unit is also widely used in agrochemistry, in pharmaceutical chemistry, and in fine chemicals. The problems associated with climate change and the growing need for environmentally friendly industrial processes mean that alternatives to the frequently used CFC and HFBC fluoromethylating agents (CH2FCl and CH2FBr) are urgently needed and also required by the Montreal Protocol. This has recently prompted many researchers to develop alternative fluoromethylation agents. This Minireview summarizes both the classical and new generation of fluoromethylating agents. Reagents that act via electrophilic, nucleophilic, and radical pathways are discussed, in addition to their precursors.
Electrophysiological Characterization of Transport Across Outer‐Membrane Channels from Gram‐Negative Bacteria in Presence of Lipopolysaccharides
Authors: Wang Jiajun , Terrasse Rémi , Bafna Jayesh Arun , Benier Lorraine , Winterhalter Mathias 
Published: February 2020

AbstractMulti‐drug resistance in Gram‐negative bacteria is often associated with low permeability of the outer membrane. To investigate the role of membrane channels in the uptake of antibiotics, we present an approach using fusion of native outer membrane vesicles (OMVs) into a planar lipid bilayer, allowing characterization of membrane protein channels in their native environment. Two major membrane channels from E. coli, OmpF and OmpC, were overexpressed from the host and the corresponding OMVs were collected. Each OMV fusion surprisingly revealed only single or few channel activities. The asymmetry of the OMVs translates after fusion into the lipid membrane with the lipopolysaccharides (LPS) dominantly present at the side of OMV addition. Compared to the conventional reconstitution method, the channels fused from OMVs containing LPS have similar conductance but a much broader distribution and significantly lower permeation. We suggest using outer membrane vesicles for functional and structural studies of membrane channels in the native membrane.
A Periodic System of Supramolecular Elements
Authors: Schmidt Hans‐Werner , Würthner Frank 
Published: February 2020

AbstractChemistry “beyond the molecule” is based on weak, noncovalent, and reversible interactions. As a consequence of these bonds being weak, structural organization by folding and self‐assembly can only be fully exploited with larger molecules that can provide multiple binding sites. Such “supramolecules” can now be synthesized and their folding into desired conformations predicted. A new level of chemistry can now be realized through the creation of non‐natural entities composed of molecular building blocks with defined secondary structures. Herein we define these building blocks as “supramolecular elements”. We anticipate that further research on such large molecules will reveal construction principles dictated by recurring motifs that govern structure formation through folding and self‐assembly. These principles are comparable to the organization of atoms in the Periodic Table of Chemical Elements and may lead to the establishment of a Periodic System of Supramolecular Elements.
Excimer and Exciplex Formation in Gold(I) Complexes Preconditioned by Aurophilic Interactions
Authors: Schmidbaur Hubert , Raubenheimer Helgard G. 
Published: February 2020

AbstractExcimers and exciplexes are defined as assemblies of atoms or molecules A/A′ where interatomic/intermolecular bonding appears only in excited states such as [A2]* (for excimers) and [AA′]* (for exciplexes). Their formation has become widely known because of their role in gas‐phase laser technologies, but their significance in general chemistry terms has been given little attention. Recent investigations in gold chemistry have opened up a new field of excimer and exciplex chemistry that relies largely on the preorganization of gold(I) compounds (electronic configuration AuI(5d10)) through aurophilic contacts. In the corresponding excimers, a new type of Au⋅⋅⋅Au bonding arises, with bond energies and lengths approaching those of ground‐state Au−Au bonds between metal atoms in the Au0(5d106s1) and AuII(5d9) configurations. Excimer formation gives rise to a broad range of photophysical effects, for which some of the relaxation dynamics have recently been clarified. Excimers have also been shown to play an important role in photoredox binuclear gold catalysis.
Evaluation of thermoplastic polyolefin materials for the hard shed of composite insulators
Authors: Shi Jia , Dong Hao , Quan Yiwu , Chen Chao , Yan Shanzhi 
Published: February 2020

AbstractThis article explores the possibility of using polyolefin materials for composite insulator sheds. The transfer component (silicone oil or erucamide) is added into a polyolefin material to improve its hydrophobic properties. Results show that the silicone oil‐modified polyolefin material (polyolefin‐S) exhibited an obvious hydrophobicity transfer property. When the equivalent salt deposit density and nonsoluble deposit density are 0.1 and 0.5 mg/cm2, respectively, the static contact angle increases from 75° to 87° as the silicone oil transfer time increases from 24 to 96 hr. Meanwhile, polyolefin‐S exhibits high mechanical strength, hardness, volume resistivity, and surface resistivity values of 21.4 MPa, 62.6 HD, 1.7 × 1015 Ω m and 1.2 × 1016 Ω, respectively. Moreover, polyolefin‐S shows excellent tracking and erosion resistance of 4.5 kV level in the inclined plane test. The results verify that the polyolefin material is a promising candidate material for the hard shed of composite insulators.
Incorporation of Pseudo‐complementary Bases 2,6‐Diaminopurine and 2‐Thiouracil into Serinol Nucleic Acid (SNA) to Promote SNA/RNA Hybridization
Authors: Kamiya Yukiko , Sato Fuminori , Murayama Keiji , Kodama Atsuji , Uchiyama Susumu , Asanuma Hiroyuki 
Published: February 2020

AbstractSerinol nucleic acid (SNA) is a promising candidate for nucleic acid‐based molecular probes and drugs due to its high affinity for RNA. Our previous work revealed that incorporation of 2,6‐diaminpurine (D), which can form three hydrogen bonds with uracil, into SNA increases the melting temperature of SNA‐RNA duplexes. However, D incorporation into short self‐complementary regions of SNA promoted self‐dimerization and hindered hybridization with RNA. Here we synthesized a SNA monomer of 2‐thiouracil (sU), which was expected to inhibit base pairing with D by steric hindrance between sulfur and the amino group. To prepare the SNA containing D and sU in high yield, we customized the protecting groups on D and sU monomers that can be readily deprotected under acidic conditions. Incorporation of D and sU into SNA facilitated stable duplex formation with target RNA by suppressing the self‐hybridization of SNA and increasing the stability of the heteroduplex of SNA and its complementary RNA. Our results have important implications for the development of SNA‐based probes and nucleic acid drugs.
Asymmetric Hydroformylation Using a Rhodium Catalyst Encapsulated in a Chiral Capsule
Authors: Jongkind Lukas J. , Reek Joost N. H. 
Published: February 2020

AbstractSupramolecular capsules can be used to change the activity and selectivity of a catalyst through the influence of the second coordination sphere, reminiscent of how enzymes control the selectivity of their processes. In enzymes, this approach is used to also control the enantioselectivity of reactions in which the active catalytic site is often not chiral but the second coordination sphere is. We are interested in the possibility to generate a chiral second coordination sphere around an otherwise achiral transition metal complex for asymmetric catalysis. In this paper we show that the ligand template approach can be used to generate a chiral second coordination sphere around a rhodium complex, which is used in asymmetric hydroformylation.
Tungsten(VI) Complex of N‐Fused Porphyrin Absorbing Near‐Infrared Light beyond 1000 nm
Authors: Yamamoto Takaaki , Abraham Jibin Alex , Mori Shigeki , Toganoh Motoki , Shimizu Soji , Ishida Masatoshi , Furuta Hiroyuki 
Published: February 2020

AbstractIncorporating tungsten into the N3 core of a N‐fused porphyrin (NFP; 1) affords high‐valent tungsten(VI)‐NFP complexes, WClO2‐1 and 21‐chlorinated WClO2‐3. The X‐ray structure of WClO2‐1 reveals a distorted octahedral geometry with sitting atop metal coordination. The absorption spectrum of WClO2‐1 displays bathochromically shifted Q‐like bands beyond 1000 nm, indicating an inherently narrow HOMO‐LUMO energy gap. DFT calculations show that the degeneracy of the LUMO and LUMO+1 pair of 1 is significantly resolved by the tungsten(VI) coordination. Conclusively, magnetic circular dichroism (MCD) spectroscopy and cyclic voltammetry provide a rationale for the narrow HOMO‐LUMO energy gap in the “16‐electron” d0 tungsten(VI)‐NFP complexes.
Machine learning to predict biomass sorghum yields under future climate scenarios
Authors: Huntington Tyler , Cui Xinguang , Mishra Umakant , Scown Corinne D. 
Published: February 2020

AbstractCrop yield modeling is critical in the design of national strategies for agricultural production, particularly in the context of a changing climate. Forecasting yields of bioenergy crops at fine spatial resolutions can help to evaluate near‐term and long‐term pathways for scaling up bio‐based fuel and chemical production, and for understanding the impacts of abiotic stressors such as severe droughts and temperature extremes on potential biomass supply. We used a large dataset of 28,364 Sorghum bicolor yield samples (uniquely identified by county and year of observation), environmental variables, and multiple approaches to analyze historical trends in sorghum productivity across the USA. We selected the most accurate machine learning approach (a variation of the random forest approach) to predict future trends in sorghum yields under four greenhouse gas (GHG) emission scenarios and two irrigation regimes. We identified irrigation practices, vapor pressure deficit, and time (a proxy for technological improvement) as the most important predictors of sorghum productivity. Our results showed a decreasing trend of sorghum yields over future years (on average 2.7% from 2018 to 2099), with greater decline under a high GHG emissions scenario (3.8%) and in the absence of irrigation (4.6%). Geographically, we observed the steepest predicted declines in the Great Lakes (8.2%), Upper Midwest (7.5%), and Heartland (6.7%) regions. Our study demonstrates the use of machine learning to identify environmental controllers of sorghum biomass yield and predict yields with reasonable accuracy. These results can inform the development of more realistic biomass supply projections for bioenergy if sorghum production is scaled up. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd
Metal–Organic Frameworks for Photodynamic Therapy: Emerging Synergistic Cancer Therapy
Authors: Song Yucong , Wang Lei , Xie Zhigang 
Published: February 2020

AbstractPhotodynamic therapy (PDT) conducted by photosensitizers producing cytotoxic reactive oxygen species (ROS) under light irradiation is widely used in cancer treatment. A great number of photoactive nanoscale metal–organic frameworks (NMOFs) have been prepared for PDT. With the development of biomedicine and nanotechnology, many synergistic cancer therapies have emerged. In this mini‐review, an overview on the latest progress in the application of NMOFs in PDT is provided, with emphasis on the recent emergence of some synergistic therapies.