Guanghui Zhu

Xi'an Jiaotong University

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Ryan P. Lively

Georgia Institute of Technology

Christopher W. Jones

Georgia Institute of Technology

David S. Sholl

Oak Ridge National Laboratory

Dongxia Liu

Lanzhou University

Krista S. Walton

Georgia Institute of Technology

Yang Liu

Tsinghua University

Simon H. Pang

Lawrence Livermore National Laboratory

Xunxiang Hu

Central South University

Fabio H. Ribeiro

Purdue University West Lafayette

Dmitry Zemlyanov

Purdue University West Lafayette

Cooperative Institutions

Georgia Institute of Technology

Bristol-Myers Squibb (United States)

Chinese Academy of Sciences

University of Maryland, College Park

AID Atlanta

The Bristol-Myers Squibb Children's Hospital

Bristol-Myers Squibb (United Kingdom)

Oak Ridge National Laboratory

Arizona State University

Shandong University

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Unblocking a rigid purine MOF for kinetic separation of xylenes

Chemical Communications (2022)

Richelle Lyndon Yuxiang Wang Ian M. Walton Yao Ma Yang Liu

The separation of xylene isomers still remains an industrially challenging task. Here, porous purine-based metal-organic frameworks (MOFs) have been synthesized and studied for their potential in xylene separations. In particular, Zn(purine)I showed excellent para-xylene/ortho-xylene separation capability with a diffusion selectivity of 6 and high equilibrium adsorption selectivity as indicated by coadsorption experiments. This high selectivity is attributed to the shape and size of the channel aperture within the rigid framework of Zn(purine)I.

o-Xylene

p-Xylene

10.1039/d2cc04387d

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Citations (8)

Separation of Three Alkaloids from Senecio fuberi Hemsl by High-Speed Countercurrent Chromatography

ACS symposium series (1995)

D.-G. Cai Meijuan Gu Guanghui Zhu J.-D. Zhang Tao Jin

Three alkaloids, squalidine, platyphylline, and neoplatyphylline from Senecio fuberi Hemsl, were completely separated by high-speed counter-current chromatography (CCC). Separation was performed with a two-phase solvent system composed of chloroform/0.07M sodium phosphate-0.04M citrate buffer (pH 6.20-6.45) (1:1) in which the upper aqueous phase served as the stationary phase, and the lower chloroform phase as the mobile phase. Each alkaloid was identified by the physical and chemical constants as well as TLC and mass spectral data. Platyphylline and neoplatyphylline are cis-trans isomers which are difficult to separate by other means on a preparative scale.

Countercurrent exchange

10.1021/bk-1995-0593.ch007

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In Silico Prediction of Structural Properties of a Racemic Porous Organic Cage Crystal

The Journal of Physical Chemistry C (2018)

Yang Liu Guanghui Zhu Wenqin You Hongjian Tang Christopher W. Jones

Porous organic cage (POC) solids are porous materials made up of individual porous molecules held together by noncovalent forces. Although many examples of POCs have been made in homochiral forms (i.e., crystals in which every molecule has the same chirality), crystallization of POCs that contain mixtures of chiral molecules can also yield useful properties. For instance, our previous work has demonstrated that a POC crystal [cage crystal 3 (CC3)-racemic] synthesized using a racemic mixture of diaminocyclohexane has improved sorption properties and stability than a similar POC crystal synthesized with homochiral diaminocyclohexane. The key aim of this paper is to predict the structure of CC3-racemic with atomic detail because it is challenging to fully resolve the structure of this racemic crystal experimentally since only subtle differences exist between the racemic structure and the known crystal structure of homochiral CC3. Here, we introduce an in silico prediction method that combines electronic structure calculations and atomistic calculations to predict the structure of CC3-racemic. We first enumerate types of cage molecules that can be present in this material and establish their concentrations. A key observation from these calculations is that CC3-racemic is not made up of only CC3-R and CC3-S molecules and that an additional class of heterochiral cages is also present. By studying the packing energy of cage pairs in CC3-racemic, a lattice model representation of the racemic crystal is developed and used in MC simulations to assess the structure of extended crystals. By expanding the lattice model into atomic detail, fully detailed CC3-racemic crystal models are obtained. These models provide the most thorough description available to date of the composition and cage packing of this interesting material.

Crystal Structure Prediction

Racemic mixture

Crystal (programming language)

Chirality

Crystal Engineering

Non-covalent interactions

10.1021/acs.jpcc.8b08838

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Citations (6)

Berichtigung: Molecularly Mixed Composite Membranes for Advanced Separation Processes

Angewandte Chemie (2019)

Guanghui Zhu Fengyi Zhang Matthew P. Rivera Xunxiang Hu Guoyan Zhang

In Abbildung 1 b dieser Zuschrift war die horizontale Achse falsch beschriftet. Das Diagramm soll die Konzentration der einzelnen Käfigarten in der ASPOC-Mischung zeigen, im Originalbeitrag findet sich an der horizontalen Achse allerdings immer nur die Bezeichnung für einen Käfig. Die korrigierte Abbildung 1 b ist daher hier gezeigt. […] b) ASPOC cage mixtures synthesized from different ratios of ethylenediamine (EDA) and cyclohexanediamine (CHDA). The two mixtures are denoted as CC1432 and CC1135 (the subscripts denote the reactant ratio of ethylenediamine (the linker for CC1) and (1R,2R)-1,2-cyclohexanediamine (the linker for CC3-R)) to distinguish from nomenclature for individual cages, which have superscripts to represent the linker ratio in individual cages. Cage ratios are calculated from HPLC peak areas. […]

Ethylene diamine

Linker

10.1002/ange.201913488

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SYNTHESIS OF ZEOLITE@MOF NANOPOROUS COMPOSITES AS BIFUNCTIONAL CATALYSTS

Guanghui Zhu

Nanoporous

Bifunctional catalyst

Source

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Citations (2)

Vapor-Phase Strategy to Pillaring of Two-Dimensional Zeolite

Journal of the American Chemical Society (2019)

Lu Wei Kechen Song Wei Wu Scott Holdren Guanghui Zhu

Two-dimensional (2D) layered zeolites are new forms of 3D zeolite frameworks. They can be pillared to form more open porous structures with increased access for reactants that are too big for the micropores of zeolites. The current pillaring procedure, however, requires intercalation of pillaring precursors by dispersing 2D zeolite in an alkoxide liquid and hydrolizing entrapped alkoxide to form inorganic oxide pillars in an aqueous alkaline solution. Both steps use excess solvents, generate significant waste, and require multiple synthesis and separation steps. Here we report a vapor-phase pillarization (VPP) process to produce pillared zeolites from 2D layered zeolite structures. The VPP process has ∼100% efficiency of alkoxide usage in the intercalation step, requires less (and, in some cases, zero) water addition in the hydrolysis step, does not require separation for product recovery, and generates no liquid waste. Furthermore, synthesis of pillared zeolites via the VPP process can be accomplished within a single apparatus with one-time operation. The pillared zeolite prepared by the VPP method preserved the zeolitic layered structure as well as acidity and showed enhancement in catalytic alkylation of mesitylene with benzyl alcohol compared to 2D layered zeolite without pillarization treatment.

Alkoxide

Mesitylene

Benzyl alcohol

10.1021/jacs.9b03479

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Citations (27)

Separation of Alkaloids from Datura Metel. and Sophora Flavescens Ait by High-Speed Countercurrent Chromatography

Journal of Liquid Chromatography (1990)

D.-G. Cai Min Gu J.-D. Zhang Guanghui Zhu Tong Zhang

Abstract High-speed countercurrent chromatography was successfully applied to the separation of alkaloids from two medicinal herbs. Matrine and oxymatrine were isolated from the root of Sophora flavescens Ait with a two-phase solvent system composed of chloroform-0.07 M sodium phosphate (pH 6.4), while atropine and scopolamine were purified from the flowers of Datura mete L. with a similar solvent system by modifying the phosphate buffer pH at 6.5. Identification of each alkaloid was made by either TLC or paper partition chromatography using authentic pure compounds.

Sophora flavescens

Oxymatrine

Datura stramonium

Sophora

Flos

10.1080/01483919008049041

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Citations (9)

Engineering Porous Organic Cage Crystals with Increased Acid Gas Resistance

Chemistry - A European Journal (2016)

Guanghui Zhu Christopher D. Hoffman Yang Liu Souryadeep Bhattacharyya Uma Tumuluri

Both known and new CC3-based porous organic cages are prepared and exposed to acidic SO2 in vapor and liquid conditions. Distinct differences in the stability of the CC3 cages exist depending on the chirality of the diamine linkers used. The acid catalyzed CC3 degradation mechanism is probed via in situ IR and a degradation pathway is proposed and supported with computational results. CC3 crystals synthesized with racemic mixtures of diaminocyclohexane exhibited enhanced stability compared to CC3-R and CC3-S. Confocal fluorescent microscope images reveal that the stability difference in CC3 species originates from an abundance of mesoporous grain boundaries in CC3-R and CC3-S, allowing facile access of aqueous SO2 throughout the crystal, promoting decomposition. These grain boundaries are absent from CC3 crystals made with racemic linkers.

Degradation

Chirality

10.1002/chem.201601659

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Citations (35)

Solution Processable Polytriazoles from Spirocyclic Monomers for Membrane-based Hydrocarbon Separations

Nicholas C. Bruno Ronita Mathias Guanghui Zhu Yunho Ahn Neel Rangnekar

The thermal distillation of crude oil mixtures is an energy intensive process conducted on massive scale worldwide. Membrane-based separations are, in principle, much more efficient in energetic terms, if useful fractions can be obtained. We describe here a family of spirocyclic polytriazoles for membrane applications prepared by a convenient step-growth method using copper-catalyzed azide-alkyne cycloaddition, providing very fast reaction rates, high molecular weights and solubilities in common organic solvents, and non-interconnected microporosity. Fractionation of whole Arabian light crude oil and atmospheric tower bottoms feeds using these materials significantly enriched the low-boiling components and removed trace heteroatom and metal impurities, demonstrating opportunities to reduce the energy cost of crude oil distillation with tandem membrane processes. Membrane-based molecular separation under these demanding conditions is made possible by high thermal stability and a moderate level of dynamic chain mobility leading to transient interconnections between micropores, as revealed by calculations of static and swollen pore structures.

Membrane Distillation

Heteroatom

Tandem

Boiling point

10.26434/chemrxiv-2022-0g577

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Citations (6)

Synthesis of zeolite@metal–organic framework core–shell particles as bifunctional catalysts

RSC Advances (2014)

Guanghui Zhu Richard Graver Laleh Emdadi Baoyu Liu Kyu Yong Choi

A zeolite@metal–organic framework (ZSM-5@UiO-66) core–shell composite has been synthesized for the first time by solvothermal growth of UiO-66 on the surface of ZSM-5 particles. The acidity from ZSM-5 and the basicity from the amine groups in UiO-66 obtained by post-synthetic modification of the metal clusters, endow a bifunctionality on ZSM-5@UiO-66 for cascade reactions.

Bifunctional catalyst

10.1039/c4ra03129f

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Citations (50)