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Journal articles on the topic 'Small molecule separation'

Author: Grafiati

Published: 4 June 2021

Last updated: 17 February 2022

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1

Islam, Molla Rafiquel, and P. R. Sundararajan. "Morphology of a hydrogen-bond mediated self-assembling small molecule in a polycarbonate matrix." Canadian Journal of Chemistry 86, no. 6 (June 1, 2008): 600–607. http://dx.doi.org/10.1139/v08-073.

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Dispersing functional small molecules in a polymer matrix is a well-known method of device fabrication for optoelectronic applications. Normally, no specific interactions such as hydrogen bonding occur between the polymer and the small molecule. The latter does not belong to the category of “self-assembling” molecules. When phase separation occurs, the small molecule would diffuse to the surface and crystallize. In this paper, we describe a very different morphological behaviour of hydrogen-bond mediated self-assembling molecules in a polycarbonate matrix. We used a series of biscarbamates with two hydrogen-bonding motifs and alkyl side chain lengths symmetrically varying from C4 to C18. We infer that the rate of self-assembly is faster than the diffusion of the small molecule to the surface. As a result, crystallization of the small molecule occurs predominantly in the bulk, i.e., sub surface, and not on the surface of the polymer film.Key words: self-assembly, crystallization, diffusion, phase separation.

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2

Weller, Harold N., Katalin Ebinger, William Bullock, Kurt J. Edinger, Mark A. Hermsmeier, Steven L. Hoffman, David S. Nirschl, et al. "Orthogonality of SFC versus HPLC for Small Molecule Library Separation." Journal of Combinatorial Chemistry 12, no. 6 (November 8, 2010): 877–82. http://dx.doi.org/10.1021/cc100118y.

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3

Mukherjee, Biswaroop, and Buddhapriya Chakrabarti. "Gelation Impairs Phase Separation and Small Molecule Migration in Polymer Mixtures." Polymers 12, no. 7 (July 16, 2020): 1576. http://dx.doi.org/10.3390/polym12071576.

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Surface segregation of the low molecular weight component of a polymeric mixture is a ubiquitous phenomenon that leads to degradation of industrial formulations. We report a simultaneous phase separation and surface migration phenomena in oligomer–polymer ( O P ) and oligomer–gel ( O G ) systems following a temperature quench that induces demixing of components. We compute equilibrium and time varying migrant (oligomer) density profiles and wetting layer thickness in these systems using coarse grained molecular dynamics (CGMD) and mesoscale hydrodynamics (MH) simulations. Such multiscale methods quantitatively describe the phenomena over a wide range of length and time scales. We show that surface migration in gel–oligomer systems is significantly reduced on account of network elasticity. Furthermore, the phase separation processes are significantly slowed in gels leading to the modification of the well known Lifshitz–Slyozov–Wagner (LSW) law ℓ ( τ ) ∼ τ 1 / 3 . Our work allows for rational design of polymer/gel–oligomer mixtures with predictable surface segregation characteristics that can be compared against experiments.

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4

Kim, Sungyoon, Damien Thirion, Thien S. Nguyen, Byoungkook Kim, Nesibe A. Dogan, and Cafer T. Yavuz. "Sustainable Synthesis of Superhydrophobic Perfluorinated Nanoporous Networks for Small Molecule Separation." Chemistry of Materials 31, no. 14 (June 19, 2019): 5206–13. http://dx.doi.org/10.1021/acs.chemmater.9b01447.

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5

Perry, John D., Kazukiyo Nagai, and William J. Koros. "Polymer Membranes for Hydrogen Separations." MRS Bulletin 31, no. 10 (October 2006): 745–49. http://dx.doi.org/10.1557/mrs2006.187.

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AbstractThe development of a hydrogen-based economy would generate a substantial necessity for efficient means of collecting hydrogen with a relatively high purity. Membrane separations play a major role in the separation of hydrogen gas from various gas mixtures, and this article discusses the use of polymeric materials to produce these membranes. After a review of the historical use of polymeric membranes and some background information regarding mechanisms of gas transport in membranes, this article will review the work that has been done in the two major classes of hydrogen separation membranes: hydrogen-selective membranes and hydrogen-rejective membranes. In hydrogen-selective membranes, the very small size of the hydrogen molecule is exploited to allow rapid diffusion of hydrogen through the membrane while excluding other gases. Hydrogen-rejective membranes use the significantly higher sorption of other gases to overcome the advantages of the small size of the hydrogen molecule. The discussion of these two types of membranes will be followed by a presentation of the current state of the art with regard to polymeric membranes for hydrogen separation and a discussion of the predictions for future applications and advancements in this area.

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6

Zhai, Yunhui, Yongwen Liu, Xijun Chang, Xiaofang Ruan, and Jiali Liu. "Metal ion-small molecule complex imprinted polymer membranes: Preparation and separation characteristics." Reactive and Functional Polymers 68, no. 1 (January 2008): 284–91. http://dx.doi.org/10.1016/j.reactfunctpolym.2007.08.013.

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7

Fang, Jin, Dan Deng, Zaiyu Wang, Muhammad Abdullah Adil, Tong Xiao, Yuheng Wang, Guanghao Lu, et al. "Critical Role of Vertical Phase Separation in Small-Molecule Organic Solar Cells." ACS Applied Materials & Interfaces 10, no. 15 (March 23, 2018): 12913–20. http://dx.doi.org/10.1021/acsami.8b00886.

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8

Shi, Junqing, Anna Isakova, Abasi Abudulimu, Marius van den Berg, Oh Kyu Kwon, Alfred J. Meixner, Soo Young Park, Dai Zhang, Johannes Gierschner, and Larry Lüer. "Designing high performance all-small-molecule solar cells with non-fullerene acceptors: comprehensive studies on photoexcitation dynamics and charge separation kinetics." Energy & Environmental Science 11, no. 1 (2018): 211–20. http://dx.doi.org/10.1039/c7ee02967e.

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9

Reed, Douglas A., Dianne J. Xiao, Henry Z. H. Jiang, Khetpakorn Chakarawet, Julia Oktawiec, and Jeffrey R. Long. "Biomimetic O2 adsorption in an iron metal–organic framework for air separation." Chemical Science 11, no. 6 (2020): 1698–702. http://dx.doi.org/10.1039/c9sc06047b.

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10

Sulas, Dana B., Emily J. Rabe, and Cody W. Schlenker. "Kinetic Competition between Charge Separation and Triplet Formation in Small-Molecule Photovoltaic Blends." Journal of Physical Chemistry C 121, no. 48 (November 21, 2017): 26667–76. http://dx.doi.org/10.1021/acs.jpcc.7b09365.

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11

Kilpeläinen, Tuomas, Katja Pajula, Tuomas Ervasti, Emilia Uurasjärvi, Arto Koistinen, and Ossi Korhonen. "Raman imaging of amorphous-amorphous phase separation in small molecule co-amorphous systems." European Journal of Pharmaceutics and Biopharmaceutics 155 (October 2020): 49–54. http://dx.doi.org/10.1016/j.ejpb.2020.08.007.

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12

Wang, Jiafei, Xiaoya Jiang, Hang Zhang, Sha Liu, Ligai Bai, and Haiyan Liu. "Preparation of a porous polymer monolithic column with an ionic liquid as a porogen and its applications for the separation of small molecules in high performance liquid chromatography." Analytical Methods 7, no. 18 (2015): 7879–88. http://dx.doi.org/10.1039/c5ay01487e.

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13

Kwon, Obum, Jihyun Lim, Jin Park, and Dong Wang. "Facile Synthetic Route of a Solution-Processable, Thieno[3,4-c]pyrrolo-4,6-dione-Based Conjugated Small Molecule and Control of the Optoelectronic Properties via Processing Additives." Applied Sciences 8, no. 12 (December 17, 2018): 2644. http://dx.doi.org/10.3390/app8122644.

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In this study, a new type of low-bandgap small molecule has been synthesized with a thieno[3,4-c]pyrrole-4,6-dione (TPD) derivative for application in bulk heterojunction (BJH) solar cells. The series of solar cells were fabricated by blending the TPD-based small molecule (M1) and [6,6]-phenyl C71 butyric acid methyl ester (PC71BM). In order to optimize the performance of solar cells, the nanoscale morphologies of the BHJ layers were controlled via processing additives with 1,8-diiodooctane (DIO) and 1-chloronaphthalene (CN). Therefore, we demonstrated that the use of CN successively suppressed molecular aggregation and demonstrated suitable phase separation, in addition to increasing the power conversion efficiency from 0.36% to 1.86%.

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14

Segers, Karen, Sven Declerck, Debby Mangelings, Yvan Vander Heyden, and Ann Van Eeckhaut. "Analytical techniques for metabolomic studies: a review." Bioanalysis 11, no. 24 (December 2019): 2297–318. http://dx.doi.org/10.4155/bio-2019-0014.

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Metabolomics is the comprehensive study of small-molecule metabolites. Obtaining a wide coverage of the metabolome is challenging because of the broad range of physicochemical properties of the small molecules. To study the compounds of interest spectroscopic (NMR), spectrometric (MS) and separation techniques (LC, GC, supercritical fluid chromatography, CE) are used. The choice for a given technique is influenced by the sample matrix, the concentration and properties of the metabolites, and the amount of sample. This review discusses the most commonly used analytical techniques for metabolomic studies, including their advantages, drawbacks and some applications.

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15

Chen, Haiyan, Hua Tang, Dingqin Hu, Yiqun Xiao, Jiehao Fu, Jie Lv, Qingqing Yu, et al. "Design of All-Small-Molecule Organic Solar Cells Approaching 14% Efficiency via Isometric Terminal Alkyl Chain Engineering." Energies 14, no. 9 (April 27, 2021): 2505. http://dx.doi.org/10.3390/en14092505.

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Morphology is crucial to determining the photovoltaic performance of organic solar cells (OSCs). However, manipulating morphology involving only small-molecule donors and acceptors is extremely challenging. Herein, a simple terminal alkyl chain engineering process is introduced to fine-tune the morphology towards high-performance all-small-molecule (ASM) OSCs. We successfully chose a chlorinated two-dimension benzo[1,2-b:4,5-b′]dithiophene (BDT) central unit and two isomeric alkyl cyanoacetate as the end-capped moieties to conveniently synthesize two isomeric small-molecule donors, namely, BT-RO-Cl and BT-REH-Cl, each bearing linear n-octyl (O) as the terminal alkyl chain and another branched 2-ethylhexyl (EH) as the terminal alkyl chain. The terminal alkyl chain engineering process provided BT-RO-Cl with 13.35% efficiency and BT-REH-Cl with 13.90% efficiency ASM OSCs, both with Y6 as the electron acceptor. The successful performance resulted from uniform phase separation and the favorable combination of face-on and edge-on molecular stacking of blended small-molecule donors and acceptors, which formed a fluent 3D transport channel and thus delivered high and balanced carrier mobilities. These findings demonstrate that alkyl chain engineering can finely control the morphology of ASM OSCs, and provides an alternative for the optimal design of small-molecule materials towards high-performance ASM OSCs.

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16

Chareyre, L., S. Cerneaux, D. Cornu, and V. Rouessac. "Si–Zr–C–N-based hydrophobic plasma polymer membranes for small gas molecule separation." Thin Solid Films 527 (January 2013): 87–91. http://dx.doi.org/10.1016/j.tsf.2012.12.004.

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17

Sisavath, Nicolas, Jean‐Luc Rukundo, J. C. Yves Le Blanc, Victor A. Galievsky, Jiayin Bao, Sven Kochmann, Alexander S. Stasheuski, and Sergey N. Krylov. "Transient Incomplete Separation Facilitates Finding Accurate Equilibrium Dissociation Constant of Protein–Small Molecule Complex." Angewandte Chemie International Edition 58, no. 20 (May 13, 2019): 6635–39. http://dx.doi.org/10.1002/anie.201901345.

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18

Sisavath, Nicolas, Jean‐Luc Rukundo, J. C. Yves Le Blanc, Victor A. Galievsky, Jiayin Bao, Sven Kochmann, Alexander S. Stasheuski, and Sergey N. Krylov. "Transient Incomplete Separation Facilitates Finding Accurate Equilibrium Dissociation Constant of Protein–Small Molecule Complex." Angewandte Chemie 131, no. 20 (April 9, 2019): 6707–11. http://dx.doi.org/10.1002/ange.201901345.

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19

Bin, Haijun, Indunil Angunawela, Beibei Qiu, Fallon J. M. Colberts, Mengmeng Li, Matthew J. Dyson, Martijn M. Wienk, Harald Ade, Yongfang Li, and René A. J. Janssen. "Precise Control of Phase Separation Enables 12% Efficiency in All Small Molecule Solar Cells." Advanced Energy Materials 10, no. 34 (August 2, 2020): 2001589. http://dx.doi.org/10.1002/aenm.202001589.

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20

Szalay, V. "On the separation of the large- and small-amplitude internal motions of a molecule." Journal of Molecular Spectroscopy 110, no. 1 (March 1985): 172–73. http://dx.doi.org/10.1016/0022-2852(85)90221-8.

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21

Sharenko, Alexander, Martijn Kuik, Michael F. Toney, and Thuc-Quyen Nguyen. "Crystallization-Induced Phase Separation in Solution-Processed Small Molecule Bulk Heterojunction Organic Solar Cells." Advanced Functional Materials 24, no. 23 (February 28, 2014): 3543–50. http://dx.doi.org/10.1002/adfm.201304100.

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22

Morooka, Shigeharu, and Katsuki Kusakabe. "Microporous Inorganic Membranes for Gas Separation." MRS Bulletin 24, no. 3 (March 1999): 25–29. http://dx.doi.org/10.1557/s0883769400051873.

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Microporous inorganic membranes are potentially useful in gas separation in emerging areas such as catalytic reactors, gasification of coal, molten-carbonate and solid-electrolyte fuel cells, and water decomposition by thermochemical reactions. If the feed or product gases can be separated at elevated temperatures specific to each process, the energy required for purification could be greatly reduced. Advances in the development of inorganic membranes have been quite rapid in recent years. For example, in 1991 the reported CO2/N2 selectivity at ambient temperature was less than 10, but by 1997 it had improved to approximately 100.The permeation rate and permselectivity of porous inorganic membranes are dependent on the microstructures of membrane/support composites such as pore size and distribution, porosity, tortuosity, and the affinity between permeating species and pore walls. Figure 1 shows the relationship between molecular weight and kinetic diameter (calculated from minimum equilibrium cross-sectional diameter) for a selected series of molecules. Hydrogen and helium are smaller and lighter than the others. Structural isomers such as n-C4H10 and i-C4H10 have the same mass but quite different sizes. Therefore, the control of micropores is of critical importance in these cases. However, the molecular masses and sizes of CO2 and N2 are not greatly different; thus the difference in affinity is important for separation of these molecules.In order to achieve effective separation of small-molecule gases, the membrane pores should be smaller than 2 nm. In the case of mesopores or macropores, gases permeate with low selectivities through these pores. In this article, preparation processes and permeation properties of porous inorganic membranes are reviewed, and permeation mechanisms are discussed.

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23

Khan, Ferdous, Shalini Khanna, Ah-Mee Hor, and P. R. Sundararajan. "The role of molecular volume and the shape of the hole transport molecule in the morphology of model charge transport composites." Canadian Journal of Chemistry 88, no. 3 (March 2010): 247–59. http://dx.doi.org/10.1139/v09-175.

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We present a study of the morphology and molecular interactions in a model charge transport composite with 1,1-bis(di-4-tolylaminophenyl) cyclohexane (TAPC) as the hole transport molecule in bisphenol-A polycarbonate (BPAPC) and cyclohexyl polycarbonate, also known as bisphenol-Z polycarbonate (PCZ). Solution NMR shows that while there is aromatic interaction between the phenyl groups of the polycarbonate and TAPC, the broadening of the peaks corresponding to the latter indicates a decrease in the rotational motion. FTIR spectroscopy also exhibits frequency shifts of the aromatic C–H absorption peaks, which parallels the extent of the depression of the glass transition temperature (Tg) of the polycarbonate. These are compared with the previous results for N,N-diphenyl-N,N-bis(3-methylphenyl)-[1,1-biphenyl]-4,4-diamine (TPD) and tri-p-tolylamine (TTA), and the differences are rationalized on the basis of the molecular shape and van der Waals volume of the small molecules. It is proposed that when the polycarbonate is in a random coil conformation, spherical small molecules (e.g., TAPC and TTA) reduce the glass transition temperature much more than a rodlike small molecule (e.g., TPD). Annealing at a temperature just below the Tg of the polycarbonate was used as a means of simulating accelerated ageing. Upon annealing, phase separation and crystallization of TAPC occurs and leads to a recovery of the Tg of the polymer significantly. The Tg recovery in this case is much more significant than in the case of TPD. The average crystal sizes are about ten times smaller than the crystals obtained in the case of TPD for the same temperature of annealing. To enhance the charge mobility, it might actually be advantageous to induce submicron crystals of the small molecule, while keeping the film transparent.

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24

Lin, Yuze, Jiayu Wang, Tengfei Li, Yang Wu, Cheng Wang, Lei Han, Yuehan Yao, Wei Ma, and Xiaowei Zhan. "Efficient fullerene-free organic solar cells based on fused-ring oligomer molecules." Journal of Materials Chemistry A 4, no. 4 (2016): 1486–94. http://dx.doi.org/10.1039/c5ta10424f.

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Organic solar cells based on monodisperse fused-ring oligomer molecule donor and acceptor blends exhibit a power conversion efficiency of over 6%; high crystallinity and small phase separation coexist in the blends.

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25

Xiao, Liangang, Tianqi Lai, Xiang Liu, Feng Liu, Thomas P. Russell, Yi Liu, Fei Huang, Xiaobin Peng, and Yong Cao. "A low-bandgap dimeric porphyrin molecule for 10% efficiency solar cells with small photon energy loss." Journal of Materials Chemistry A 6, no. 38 (2018): 18469–78. http://dx.doi.org/10.1039/c8ta05903a.

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SVA treatment induces π–π stacking and tightens lamellar packing of porphyrin molecules and also improves phase purity of blend films which enhance the exciton separation and reduce the recombination.

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26

Koslowski, Berndt, Anna Tschetschetkin, Norbert Maurer, Elena Mena-Osteritz, Peter Bäuerle, and Paul Ziemann. "Terthiophene on Au(111): A scanning tunneling microscopy and spectroscopy study." Beilstein Journal of Nanotechnology 2 (September 9, 2011): 561–68. http://dx.doi.org/10.3762/bjnano.2.60.

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Terthiophene (3T) molecules adsorbed on herringbone (HB) reconstructed Au(111) surfaces in the low coverage regime were investigated by means of low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) under ultra-high vacuum conditions. The 3T molecules adsorb preferentially in fcc regions of the HB reconstruction with their longer axis oriented perpendicular to the soliton walls of the HB and at maximum mutual separation. The latter observation points to a repulsive interaction between molecules probably due to parallel electrical dipoles formed during adsorption. Constant-separation (I-V) and constant-current (z-V) STS clearly reveal the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbitals, which are found at −1.2 eV and +2.3 eV, respectively. The HOMO–LUMO gap corresponds to that of a free molecule, indicating a rather weak interaction between 3T and Au(111). According to conductivity maps, the HOMO and LUMO are inhomogeneously distributed over the adsorbed 3T, with the HOMO being located at the ends of the linear molecule, and the LUMO symmetrically with respect to the longer axis of the molecule at the center of its flanks. Analysis of spectroscopic data reveals details of the contrast mechanism of 3T/Au(111) in STM. For that, the Shockley-like surface state of Au(111) plays an essential role and appears shifted outwards from the surface in the presence of the molecule. As a consequence, the molecule can be imaged even at a tunneling bias within its HOMO–LUMO gap. A more quantitative analysis of this detail resolves a previous discrepancy between the fairly small apparent STM height of 3T molecules (1.4–2.0 nm, depending on tunneling bias) and a corresponding larger value of 3.5 nm based on X-ray standing wave analysis. An additionally observed linear decrease of the differential tunneling barrier at positive bias when determined on top of a 3T molecule is compared to the bias independent barrier obtained on bare Au(111) surfaces. This striking difference of the barrier behavior with and without adsorbed molecules is interpreted as indicating an adsorption-induced dimensionality transition of the involved tunneling processes.

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27

Ide, Satoru, Ryosuke Imai, Hiroko Ochi, and Kazuhiro Maeshima. "Transcriptional suppression of ribosomal DNA with phase separation." Science Advances 6, no. 42 (October 2020): eabb5953. http://dx.doi.org/10.1126/sciadv.abb5953.

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The nucleolus is a nuclear body with multiphase liquid droplets for ribosomal RNA (rRNA) transcription. How rRNA transcription is regulated in the droplets remains unclear. Here, using single-molecule tracking of RNA polymerase I (Pol I) and chromatin-bound upstream binding factor (UBF), we reveal suppression of transcription with phase separation. For transcription, active Pol I formed small clusters/condensates that constrained rDNA chromatin in the nucleolus fibrillar center (FC). Treatment with a transcription inhibitor induced Pol I to dissociate from rDNA chromatin and to move like a liquid within the nucleolar cap that transformed from the FC. Expression of a Pol I mutant associated with a craniofacial disorder inhibited transcription by competing with wild-type Pol I clusters and transforming the FC into the nucleolar cap. The cap droplet excluded an initiation factor, ensuring robust silencing. Our findings suggest a mechanism of rRNA transcription suppression via phase separation of intranucleolar molecules governed by Pol I.

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28

Liao, Xing Jin, and Xiao Mu. "A Study on Dexing Copper-Molybdenum Flotation Separation with a New Low- Molecule Inhibitor." Advanced Materials Research 396-398 (November 2011): 867–71. http://dx.doi.org/10.4028/www.scientific.net/amr.396-398.867.

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The inhibitor was high consumption of low-efficiency of depressant in the separation of copper- molybdenum is bottleneck, which restricts the improvement of the Cu-Mo separation technology. This paper study the Dexing copper-molybdenum flotation separation by using a new small molecule inhibitors named pseudothiohydantoin(DLC) and single-factor experiments were employed to confirmed the system of reagent. Test results indicate that DLC can make a high inhibit effect with a low consumption. Eventually, use close circuit tests to verify the inhibitor’s ability and the technical indexes such as the grade of Mo concentrate 26.17% and the recovery 89.83% are obtained by use of one time of roughing, one time of scavenging and two times of cleaning.

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29

Belikov, Dmitry, Satoshi Sugawara, Shigeyuki Ishidoya, Fumio Hasebe, Shamil Maksyutov, Shuji Aoki, Shinji Morimoto, and Takakiyo Nakazawa. "Three-dimensional simulation of stratospheric gravitational separation using the NIES global atmospheric tracer transport model." Atmospheric Chemistry and Physics 19, no. 8 (April 18, 2019): 5349–61. http://dx.doi.org/10.5194/acp-19-5349-2019.

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Abstract. A three-dimensional simulation of gravitational separation, defined as the process of atmospheric molecule separation under gravity according to their molar masses, is performed for the first time in the upper troposphere and lower stratosphere. We analyze distributions of two isotopes with a small difference in molecular mass (13C16O2 (Mi=45) and 12C16O2 (Mi=44)) simulated by the National Institute for Environmental Studies (NIES) chemical transport model (TM) with a parameterization of molecular diffusion. The NIES model employs global reanalysis and an isentropic vertical coordinate and uses optimized CO2 fluxes. The applicability of the NIES TM to the modeling of gravitational separation is demonstrated by a comparison with measurements recorded by high-precision cryogenic balloon-borne samplers in the lower stratosphere. We investigate the processes affecting the seasonality of gravitational separation and examine the age of air derived from the tracer distributions modeled by the NIES TM. We find a strong relationship between age of air and gravitational separation for the main climatic zones. The advantages and limitations of using age of air and gravitational separation as indicators of the variability in the stratosphere circulation are discussed.

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30

Zheng, Chenyu, Dylan Bleier, Ishita Jalan, Sarah Pristash, Anirudh Raju Penmetcha, Nicholas J. Hestand, Frank C. Spano, Michael S. Pierce, Jeremy A. Cody, and Christopher J. Collison. "Phase separation, crystallinity and monomer-aggregate population control in solution processed small molecule solar cells." Solar Energy Materials and Solar Cells 157 (December 2016): 366–76. http://dx.doi.org/10.1016/j.solmat.2016.05.060.

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31

Schindler, Wolfram, Markus Wollgarten, and Konstantinos Fostiropoulos. "Revealing nanoscale phase separation in small-molecule photovoltaic blends by plasmonic contrast in the TEM." Organic Electronics 13, no. 6 (June 2012): 1100–1104. http://dx.doi.org/10.1016/j.orgel.2012.03.008.

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32

Kanthasamy, Karthiga, and Herbert Pfnür. "Conductance through single biphenyl molecules: symmetric and asymmetric coupling to electrodes." Beilstein Journal of Nanotechnology 6 (August 4, 2015): 1690–97. http://dx.doi.org/10.3762/bjnano.6.171.

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The contacts and the chemical bonds formed between metallic electrodes and molecules determine to a large extent the conductive properties of single molecular junctions, which represent the smallest possible active elements in an electronic circuit. We therefore investigated in a comparative study, using the break junction technique (MCBJ), the conductive properties of [1,1’-biphenyl]-4,4’-dithiol (M1) and of 4’-mercapto-[1,1’-biphenyl]-4-carbonitrile (M2) between gold electrodes. As a function of electrode separation, characterized by the conductance close to 0 V, we found several plateaus of relative stability, with those close to 0.01G0 being the most pronounced. The overall conductance of symmetric and asymmetric molecules were surprisingly similar, only the range of stability was smaller for M2. While M1 yielded symmetric I–V-curves, only small asymmetries were detected for M2. These are also reflected in the comparable values for coupling parameters using the single level resonance model. The high conductance for the asymmetric molecule is interpreted as a result of coherent coupling of electronic states through the whole molecule, so that the outcome cannot be predicted just by adding conductive properties of individual molecular groups.

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Chen, Dong-Hui, Chao Zhuo, Yue-Hong Wen, Ling Lin, Yu-Xiao Zhang, Sheng-Min Hu, Rui-Biao Fu, and Xin-Tao Wu. "Porous metal–organic frameworks based on 3,6-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole for HPLC separation of small organic molecules." Materials Chemistry Frontiers 2, no. 8 (2018): 1508–14. http://dx.doi.org/10.1039/c8qm00147b.

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34

Liang, Li Zhe, Quan Gan, and Paul Nancarrow. "A Study on Permeabilities and Selectivities of Small-Molecule Gases for Composite Ionic Liquid and Polymer Membranes." Applied Mechanics and Materials 448-453 (October 2013): 765–70. http://dx.doi.org/10.4028/www.scientific.net/amm.448-453.765.

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In recent years, the utilisation of ionic liquids supported on porous polymer membranes has been demonstrated to enhance gas separation performance by improving both permeability and selectivity for several industrially-relevant gas mixtures. However, the use of such supported ionic liquid membranes (SILMs) is normally not feasible at elevated process temperatures due to the resulting decrease in ionic liquid viscosity, which can lead to increased loss of ionic liquid from the membrane support during operation. In addition, many of the polymer membranes typically used in SILMs exhibit relatively poor mechanical and thermal stabilities at high temperatures. To overcome these problems associated with SILMs, thermally-stable composite ionic liquid and polymer membranes (CILPMs) have been fabricated in this study, thus exploiting the beneficial properties of ionic liquids for gas separation at elevated temperatures. Poly (pyromellitimide-co-4,4-oxydianiline) (PMDA-ODA PI) in combination with the ionic liquid, [C4mi [NTf2] were used to fabricate the CILPMs. A measurement rig was designed and built to determine permeabilities and selectivities of the CILPMs for H2, N2, CO, CO2 and CH4 over a range of pressures and temperatures. The fabricated CILPMs were shown to maintain excellent mechanical and thermal stability over a wide range of processing conditions. Temperature was shown to greatly affect both permeability and selectivity of the membranes, whilst pressure had less influence. The incorporation of [C4mi [NTf2] into the membranes was found to significantly increase CO2 permeation and, therefore, it is anticipated that these CILPMs hold significant potential for CO2 separation applications.

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35

Rimpelä, Anna-Kaisa, Michel Garneau, Katja S. Baum-Kroker, Tanja Schönberger, Frank Runge, and Achim Sauer. "Quantification of Drugs in Distinctly Separated Ocular Substructures of Albino and Pigmented Rats." Pharmaceutics 12, no. 12 (December 2, 2020): 1174. http://dx.doi.org/10.3390/pharmaceutics12121174.

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The rat is a commonly used species in ocular drug research. Detailed methods of separating rat ocular tissues have not been described in literature. To understand the intraocular drug distribution, we developed a robust method for the separation of individual anterior and posterior substructures of pigmented Brown Norway (BN) and albino Wistar Han (WH) rat eyes, followed by quantification of drug concentration in these substructures. A short formalin incubation, which did not interfere with drug quantification, enabled the preservation of individual tissue sections while minimizing cross-tissue contamination, as demonstrated by histological analysis. Following oral administration, we applied the tissue separation method, in order to determine the ocular concentrations of dexamethasone and levofloxacin, as well as two in-house molecules BI 113823 and BI 1026706, compounds differing in their melanin binding. The inter-individual variability in tissue partitioning coefficients (Kp) was low, demonstrating the reproducibility of the separation method. Kp values of individual tissues varied up to 100-fold in WH and up to 46,000-fold in BN rats highlighting the importance of measuring concentration directly from the ocular tissue of interest. Additionally, clear differences were observed in the BN rat tissue partitioning compared to the WH rat. Overall, the developed method enables a reliable determination of small molecule drug concentrations in ocular tissues to support ocular drug research and development.

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Yan, Jun, Quanbin Liang, Kaikai Liu, Jingsheng Miao, Hui Chen, Sha Liu, Zhicai He, Hongbin Wu, Jinliang Wang, and Yong Cao. "Optimized Phase Separation and Reduced Geminate Recombination in High Fill Factor Small-Molecule Organic Solar Cells." ACS Energy Letters 2, no. 1 (December 2016): 14–21. http://dx.doi.org/10.1021/acsenergylett.6b00556.

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37

Walker, Bright, Arnold B. Tamayo, Xuan-Dung Dang, Peter Zalar, Jung Hwa Seo, Andres Garcia, Mananya Tantiwiwat, and Thuc-Quyen Nguyen. "Nanoscale Phase Separation and High Photovoltaic Efficiency in Solution-Processed, Small-Molecule Bulk Heterojunction Solar Cells." Advanced Functional Materials 19, no. 19 (October 9, 2009): 3063–69. http://dx.doi.org/10.1002/adfm.200900832.

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38

Thomas, Edwin L., and David J. Kinning. "Structural transitions and organization of micelles in block copolymer/hompolymer blends." Proceedings, annual meeting, Electron Microscopy Society of America 45 (August 1987): 520–23. http://dx.doi.org/10.1017/s0424820100127219.

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Spherical and cylindrical micelles are quite common in lipid/water systems. The self assembly of amphiphilic molecules into well defined geometries has been extensively studied and is explained in terms of geometric and packing properties in addition to electrostatic, van der Waals and solvation forces. While macromolecular self assembly may seem more complex than for such small molecule systems, it is actually a simpler physical situation to model. Much can be learned from the combined study of each type of system.In block copolymer/homopolymer blends the scale of the phase separation is restricted to the radius of gyration of the polymer blocks (typically several hundred A). By varying the composition and the molecular weights of the blocks and of the homopolymer, a wide range of morphologies and therefore physical properties can be achieved.

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39

Love, John A., Shu-Hua Chou, Ye Huang, Guilllermo C. Bazan, and Thuc-Quyen Nguyen. "Effects of solvent additive on “s-shaped” curves in solution-processed small molecule solar cells." Beilstein Journal of Organic Chemistry 12 (November 28, 2016): 2543–55. http://dx.doi.org/10.3762/bjoc.12.249.

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A novel molecular chromophore, p-SIDT(FBTThCA8)2, is introduced as an electron-donor material for bulk heterojunction (BHJ) solar cells with broad absorption and near ideal energy levels for the use in combination with common acceptor materials. It is found that films cast from chlorobenzene yield devices with strongly s-shaped current–voltage curves, drastically limiting performance. We find that addition of the common solvent additive diiodooctane, in addition to facilitating crystallization, leads to improved vertical phase separation. This yields much better performing devices, with improved curve shape, demonstrating the importance of morphology control in BHJ devices and improving the understanding of the role of solvent additives.

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40

Sugiyama, Haruki, Kohei Johmoto, Hidehiro Uekusa, Yuji Kikuchi, Hiroki Takahagi, Kosuke Ono, and Nobuharu Iwasawa. "Guest-induced fluorescence property of macrocyclic boronic ester." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C672. http://dx.doi.org/10.1107/s2053273314093279.

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Macrocyclic boronic esters (1) are obtained as a self-assembled molecule by condensation reaction between rac-tetrol (2) and 1,4-naphthalenediboronic acid (3) in the presence of toluene molecule [1]. In the crystal, this macrocyclic molecules form a charasteristic one dimensional channel structure that accommodates various small molecules. Interestingly, reversible desorption / absorption phenomena of guest molecules is observed without significant crystal packing change, meaning this crystal may have guest storage, separation, and catalytic abilities. In the course of exploring further functional aspects of the molecule, we give fluorescence property to this crystal by inclusion of acene molecules into this robust one dimensional channel structure. Naphthalene inclusion crystal was obtained by the diffusion method. The crystal structure is isostructural to known crystals, that is, a naphthalene molecule is included in a channel and sandwiched by two naphthalene moieties of the macrocyclic molecule (inter planar distance is about 3.6 angstrom). Under UV light, a blue color fluorescence observed in this crystal, suggesting the guest naphthalene molecule contributes the fluorescence property. After heating by 200 degrees C, the naphthalene was released to leave isostructural apohost crystal without fluorescence property. However, by naphthalene vapor exposure to the apohost crystal, the fluorescence property was recovered, which means naphthalene desorption and absorption are possible in crystalline state. Moreover Anthracene and Tetracene inclusion crystal were obtained, and they also showed light blue and yellow color fluorescence under UV light, respectively. Thus, the fluorescence function was successfully realized by inclusion of acene molecule in the one dimensional channel of the crystals, and furthermore the fluorescent color can be controlled by changing acene molecules.

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41

Simon, Roman P., Martin Winter, Carola Kleiner, Lucie Wehrle, Michael Karnath, Robert Ries, Markus Zeeb, et al. "MALDI-TOF-Based Affinity Selection Mass Spectrometry for Automated Screening of Protein–Ligand Interactions at High Throughput." SLAS DISCOVERY: Advancing the Science of Drug Discovery 26, no. 1 (October 17, 2020): 44–57. http://dx.doi.org/10.1177/2472555220959266.

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Demonstration of in vitro target engagement for small-molecule ligands by measuring binding to a molecular target is an established approach in early drug discovery and a pivotal step in high-throughput screening (HTS)-based compound triaging. We describe the setup, evaluation, and application of a ligand binding assay platform combining automated affinity selection (AS)-based sample preparation and label-free matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) analysis. The platform enables mass spectrometry (MS)-based HTS for small-molecule target interactions from single-compound incubation mixtures and is embedded into a regular assay automation environment. Efficient separation of target–ligand complexes is achieved by in-plate size exclusion chromatography (SEC), and small-molecule ligands are subsequently identified by MALDI-TOF analysis. In contrast to alternative HTS-capable binding assay formats, MALDI-TOF AS-MS is capable of identifying orthosteric and allosteric ligands, as shown for the model system protein tyrosine phosphatase 1B (PTP1B), irrespective of protein function. Furthermore, determining relative binding affinities (RBAs) enabled ligand ranking in accordance with functional inhibition and reference data for PTP1B and a number of diverse protein targets. Finally, we present a validation screen of more than 23,000 compounds within 24 h, demonstrating the general applicability of the platform for the HTS-compatible assessment of protein–ligand interactions.

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Appulage, Dananjaya K., Evelyn H. Wang, Frances Carroll, and Kevin A. Schug. "Automated screening of reversed-phase stationary phases for small-molecule separations using liquid chromatography with mass spectrometry." Journal of Separation Science 39, no. 9 (May 2016): 1638–47. http://dx.doi.org/10.1002/jssc.201600131.

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Ding, Yan, Zhiqiang Wang, and Xi Zhang. "Thermosensitive micelles formed from a small-molecule amphiphile: switchable LCST and potential application in cloud point separation." Chemical Communications 49, no. 49 (2013): 5580. http://dx.doi.org/10.1039/c3cc42466a.

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44

Duan, Sheng-Nan, Chunxiang Dall’Agnese, Haruhiko Ojima, and Xiao-Feng Wang. "Effect of solvent-induced phase separation on performance of carboxylic indoline-based small-molecule organic solar cells." Dyes and Pigments 151 (April 2018): 110–15. http://dx.doi.org/10.1016/j.dyepig.2017.12.064.

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45

Qi, Jian, Li Guo, and Hai Feng Sang. "A High-Throughput Screening of N-Carbobenzoxy-L-Tryptophan Imprinted Polymers and their Application for Monolithic Chiral Stationary Phase." Advanced Materials Research 535-537 (June 2012): 1525–28. http://dx.doi.org/10.4028/www.scientific.net/amr.535-537.1525.

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Molecular imprinting is a technique to prepare polymers with predetermined selectivity, specific recognition and predesigned affinity to a desired molecule. The stability and low cost of molecularly imprinted polymers (MIPs) render them attractive for a broad range of applications. Currently, MIP technique has been widely used in chiral separation. In this study, a series of molecularly imprinted polymers for N-Carbobenzoxy-L-tryptophan (N-Cbz-L-Trp) synthesized in different conditions were prepared in a small scale to simulate the monolithic chiral stationary phases (CSPs) primarily. By coupling in situ processing and batch rebinding evaluation, the type of functional monomers, which likely to affect the chiral selectivity of MIPs, was investigated. It was found that a MIP comprising a mixture of functional monomer 4-vinylpyridine (4-VP) and porogen 1-dodecanol/toluene exhibited the highest binding capacity and chiral selectivity for N-Carbobenzoxy-L-tryptophan. Thereafter, the monolithic MIP synthesized in screened optimum condition is used as chiral stationary phase in HPLC, which shows favourable separating capacity.

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46

Pashikanti, Srinath, Farjana Afrin, Trevor C. Meldrum, John L. Stegelmeier, Adriene Pavek, Yashar A. Habashi, Kaniz Fatema, and Jared J. Barrott. "Quantifying Fluorescently Labeled Ceramide Levels in Human Sarcoma Cell Lines in Response to a Sphingomyelin Synthase Inhibitor." Methods and Protocols 2, no. 3 (August 31, 2019): 76. http://dx.doi.org/10.3390/mps2030076.

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Sphingolipid metabolism is an important process in sustaining the growth needs of rapidly dividing cancer cells. Enzymes that synthesize sphingolipids have become attractive targets in cancer pharmacology. Ceramide is a precursor for synthesizing sphingolipids such as sphingomyelin, sphingosine-1-phosphate, and glucosylceramide. Sphingomyelin synthase (SMS) is the enzyme that transfers a phosphatidylcholine to ceramide to generate sphingomyelin. To test the inhibition of SMS, scientists assess the buildup of ceramide in the cell, which is cytotoxic. Because ceramide is a small lipid molecule, there are limited tools like antibodies to detect its presence. Alternatively, designated machines for small-molecule separation coupled with mass spectrometry detection can be used; however, these can be cost-prohibitive. We used a commercially available NBD-ceramide to apply to human cancer cell lines in the presence or absence of a known SMS inhibitor, jaspine B. After short incubation times, we were able to collect cell lysates and using solvent extraction methods, run the cellular material on a thin-layer chromatography plate to determine the levels of intact fluorescently labeled ceramide. Brighter fluorescence on the TLC plate correlated to greater SMS inhibition. Small molecules can then be screened quantifiably to determine the biological impact of inhibiting the sphingolipid metabolism pathways involving ceramide.

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47

Ohe, Takahiro, Miki Kuribayashi, Ami Tsuboi, Kotaro Satori, Masao Itabashi, and Kazumasa Nomoto. "Organic Thin-Film Transistors with Phase Separation of Polymer-Blend Small-Molecule Semiconductors: Dependence on Molecular Weight and Types of Polymer." Applied Physics Express 2, no. 12 (December 11, 2009): 121502. http://dx.doi.org/10.1143/apex.2.121502.

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48

Lifeng Cai and Miriam Gochin. "Colloidal Aggregate Detection by Rapid Fluorescence Measurement of Liquid Surface Curvature Changes in Multiwell Plates." Journal of Biomolecular Screening 12, no. 7 (October 2007): 966–71. http://dx.doi.org/10.1177/1087057107306503.

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A simple fluorescence method is reported for the detection of colloidal aggregate formation in solution, with specific applications to determine the critical micelle concentration (CMC) of surfactants and detect small-molecule promiscuous inhibitors. The method exploits the meniscus curvature changes in high-density multiwell plates associated with colloidal changes in solution. The shape of the meniscus has a significant effect on fluorescence intensity when detected using a top-read fluorescence plate reader because of the effect of total internal reflection on fluorescence emission through a curved liquid surface. A dynamic range of 60% is calculated and observed and is measured with a relative sensitivity of 2%. Facile determination of the CMC of a variety of surfactants is demonstrated, as well as a screening assay for aggregate forming properties of small drug-like compounds, a common cause of promiscuous inhibition in high-throughput screening (HTS) enzyme inhibitor assays. Our preliminary results show a potential HTS assay with Z′ factor of 0.76, with good separation between aggregating and nonaggregating small molecules. The method combines the high sensitivity and universality of classic surface tension methods with simplicity and high-throughput determination, enabling facile detection of molecular interactions involving a change in liquid or solid surface character. ( Journal of Biomolecular Screening 2007:966-971)

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Wong, Andrea, Xiaoqiang Xiang, Pei Ong, Ee Mitchell, Nicholas Syn, Ian Wee, Alan Kumar, et al. "A Review on Liquid Chromatography-Tandem Mass Spectrometry Methods for Rapid Quantification of Oncology Drugs." Pharmaceutics 10, no. 4 (November 8, 2018): 221. http://dx.doi.org/10.3390/pharmaceutics10040221.

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In the last decade, the tremendous improvement in the sensitivity and also affordability of liquid chromatography-tandem mass spectrometry (LC-MS/MS) has revolutionized its application in pharmaceutical analysis, resulting in widespread employment of LC-MS/MS in determining pharmaceutical compounds, including anticancer drugs in pharmaceutical research and also industries. Currently, LC-MS/MS has been widely used to quantify small molecule oncology drugs in various biological matrices to support preclinical and clinical pharmacokinetic studies in R&D of oncology drugs. This mini-review article will describe the state-of-the-art LC-MS/MS and its application in rapid quantification of small molecule anticancer drugs. In addition, efforts have also been made in this review to address several key aspects in the development of rapid LC-MS/MS methods, including sample preparation, chromatographic separation, and matrix effect evaluation.

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Fischer, Jenny J., Olivia Graebner, Mathias Dreger, Mirko Glinski, Sabine Baumgart, and Hubert Koester. "Improvement of Capture Compound Mass Spectrometry Technology (CCMS) for the Profiling of Human Kinases by Combination with 2D LC-MS/MS." Journal of Biomedicine and Biotechnology 2011 (2011): 1–5. http://dx.doi.org/10.1155/2011/850589.

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An increasingly popular and promising field in functional proteomics is the isolation of proteome subsets based on small molecule-protein interactions. One platform approach in this field are Capture Compounds that contain a small molecule of interest to bind target proteins, a photo-activatable reactivity function to covalently trap bound proteins, and a sorting function to isolate captured protein conjugates from complex biological samples for direct protein identification by liquid chromatography/mass spectrometry (nLC-MS/MS). In this study we used staurosporine as a selectivity group for analysis in HepG2 cells derived from human liver. In the present study, we combined the functional isolation of kinases with different separation workflows of automated split-free nanoflow liquid chromatography prior to mass spectrometric analysis. Two different CCMS setups, CCMS technology combined with 1D LC-MS and 2D LC-MS, were compared regarding the total number of kinase identifications. By extending the chromatographic separation of the tryptic digested captured proteins from 1D LC linear gradients to 2D LC we were able to identify 97 kinases. This result is similar to the 1D LC setup we previously reported but this time 4 times less input material was needed. This makes CCMS of kinases an even more powerful tool for the proteomic profiling of this important protein family.

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