Newly Found Digital Memory Characteristics of Pyrrolidone- and Succinimide-Based Polymers.

This study reports for the first time the excellent nonvolatile and volatile digital memory characteristics of polymers bearing 2-pyrrolidone and succinimide moieties. A series of new polymers is synthesized from poly(ethylene-alt-maleic anhydride) and four alcohol derivatives with and without 2-pyrrolidone and succinimide moieties. All polymers, including polyvinylpyrrolidone, are found to be thermally stable up to 195 °C or higher, and characterized regarding their molecular orbital energy levels, bandgap, and resistive digital memory behaviors. Excitingly, the polymers bearing either 2-pyrrolidone or succinimide moiety demonstrate p-type digital memory behaviors with high ON/OFF current ratios and long reliabilities. Nonvolatile digital memory performance is achieved over the film thickness range of 10-80 nm, whereas volatile digital memory is demonstrated over a much narrower range of film thickness. All digital memory performances can be originated from the 2-pyrrolidone and succinimide moieties possessing high affinity and stabilization power to charges via charge traps and transformations based on a hopping conduction process. Hence, these new polymers are suitable for the production of high-performance p-type nonvolatile and volatile digital memory devices. Moreover, 2-pyrrolidone and succinimide can be used as new and economical electroactive building blocks for the development of advanced digital memory materials.

Phase Transition Behaviors and Nanoscale Film Morphologies of Poly(δ-valerolactone) Axles Bearing Movable and Fixed Rotaxane Wheels.

In this study, poly(δ-valerolactone) (PVL) axles bearing movable and fixed dibenzo-24-crown-8-ether wheels (rot-M and rot-F) are investigated for the first time in the terms of phase transition and nanoscale film morphology: PVL-rot-M and PVL-rot-F. Interestingly, the PVL axles reveal a strong tendency to form a horizontal lamellar structure with three different rotational crystal lattice domains in nanoscale films. The morphological structural parameters are discernibly varied by the movable and fixed rotaxane wheels. In particular, the rot-M wheel tends to be populated in both the interfacial and amorphous layers. The rot-M wheel is found to significantly influence the phase transition characteristics of the PVL axle because of its movability along the polymer backbone chain. In contrast, the rot-F wheel tends to be more localized in the interfacial layer rather than in the amorphous layer because of its immovability constrained at the polymer chain end. The rot-F wheel causes severe thermal instability in the PVL axle, which can be attributed mainly to the presence of its counter anion (PF6 - ).

Nanoscale Film Morphology and n-Type Digital Memory Characteristics of π-Conjugated Donor-Acceptor Alternating Copolymer Based on Thiophene and Thiadiazole Units.

Various molecular weight π-conjugated donor-acceptor polymers based on thiadiazole and thiophene units are investigated with respect to nanoscale film morphology and digital memory performance. Interestingly, all polymers reveal excellent n-type digital permanent memory characteristics, which are governed by the combination of Ohmic and trap-limited space charge limited conductions via a hopping process using thiadiazole and thiophene units as charge traps and stepping stones. The digital memory performance is significantly influenced by the film morphology details that vary with the polymer molecular weight as well as the film thickness. A higher population of face-on structure formation, as well as higher molecular weight, provides a wider film thickness window of digital memory operation. Overall, π-conjugated PBTDzTV polymers are suitable for the production of high-performance, programmable n-type permanent memory devices with very low power consumption.

Self-Assembling Brush Polymers Bearing Multisaccharides.

Three different series of brush polymers bearing glucosyl, maltosyl, or maltotriosyl moiety at the bristle end are successfully prepared by using cationic ring-opening polymerization and two sequential postmodification reactions. All brush polymers, except for the polymer containing 100 mol% maltotriosyl moiety, demonstrate the formation of multibilayer structure in films, always providing saccharide-enriched surface. These self-assembling features are remarkable, regarding the bulkiness of saccharide moieties and the kink in the bristle due to the triazole linker. The saccharide-enriched film surfaces reveal exceptionally high specific binding affinity to concanavalin A but suppress nonspecific binding of plasma proteins severely. Overall, the brush polymers bearing saccharide moieties of various kinds in this study are highly suitable materials for biomedical applications including biosensors.

Self-Assembly-Assisted Biomolecule-Enriched Surface and High Selectivity Performance of Simple Solution-Coatable Biomimicking Brush Copolymers.

Poly(oxy(11-(biotinyl)undecylthiomethyl)ethylene-co-oxy(11-phosphoryl-cholineundecylthiomethyl)ethylene)s (PECH-BTmPCn: m = 0-100 mol % biotin (BT)-containing bristle; n = 100-0 mol % phosphorylcholine (PC)-containing bristle) were newly synthesized. All polymers exhibited excellent solution processability. They favorably self-assembled horizontal multibilayer structures in thin films with BT- and PC-enriched surfaces, which were driven by the lateral ordering of the fully extended upright bristles and the partial interdigitation between the BT and PC end groups of the bristles. Both hydrophilicity and water sorption of the films increased with the PC content. The PECH-BT100 films revealed remarkably distinctive sensitivity, selectivity, and adsorption ability for avidin against other proteins. Such remarkable performance was further significantly enhanced on the PECH-BTmPCn films in which PC moieties were incorporated to the BT-rich surface; in particular, the PECH-BT75PC25 films demonstrated the highest performance. Overall, the self-assembly brush copolymers of this study are very suitable for use in the high performance detection, adsorption, and separation of proteins and receptors, including avidin, which can reveal high affinity and selectivity to BT moiety.

Self-assembly of novel lipid-mimicking brush polymers in nanoscale thin films.

A series of well-defined poly(oxy(11-phosphorylcholineundecylthiomethyl)ethylene-ran-oxy(n-dodecylthiomethyl)ethylene) (PECH-PCm: m = 0-100 mol% phosphorylcholine (PC)) polymers were used to prepare nanoscale thin films that were characterized by synchrotron X-ray reflectivity (XR) analysis. The quantitative XR analysis provided structural insights into the PECH-PCm thin films. The PECH-PC0 polymer film formed a well-ordered in-plane oriented molecular multibilayer structure, whose individual layers consisted of two sublayers. One sublayer was composed of the fully extended backbones and inner part of the bristles, exhibiting a relatively low electron density, whereas the other sublayer was composed of a bilayer of the outer parts of the bristles without interdigitation. The PECH-PC100 polymer film also formed a well-ordered in-plane oriented molecular multibilayer structure, the individual layers of which were composed of four sublayers rather than two. The bristles in the layer were interdigitated in part via the zwitterionic interactions of the PC end groups. Surprisingly, regardless of the copolymer composition, the PECH-PCm random copolymer molecules in the thin films self-assembled to form a multilayered structure that resembled the structure formed by the PECH-PC100 polymer. These properties have not been observed in other conventional random brush copolymer films. The remarkable multibilayer structures originated from the zwitterionic PC end groups and their favorable interactions and interdigitated structures, which overcame any negative contributions caused by the heterogeneity of the bristles. The unique self-assembly properties of the PECH-PCm polymers always provide a PC-rich surface. The PECH-PCm random copolymers successfully mimicked the molecular bilayer structures formed by natural lipids.

Probing the self-assembled nanostructures of functional polymers with synchrotron grazing incidence X-ray scattering.

For advanced functional polymers such as biopolymers, biomimic polymers, brush polymers, star polymers, dendritic polymers, and block copolymers, information about their surface structures, morphologies, and atomic structures is essential for understanding their properties and investigating their potential applications. Grazing incidence X-ray scattering (GIXS) is established for the last 15 years as the most powerful, versatile, and nondestructive tool for determining these structural details when performed with the aid of an advanced third-generation synchrotron radiation source with high flux, high energy resolution, energy tunability, and small beam size. One particular merit of this technique is that GIXS data can be obtained facilely for material specimens of any size, type, or shape. However, GIXS data analysis requires an understanding of GIXS theory and of refraction and reflection effects, and for any given material specimen, the best methods for extracting the form factor and the structure factor from the data need to be established. GIXS theory is reviewed here from the perspective of practical GIXS measurements and quantitative data analysis. In addition, schemes are discussed for the detailed analysis of GIXS data for the various self-assembled nanostructures of functional homopolymers, brush, star, and dendritic polymers, and block copolymers. Moreover, enhancements to the GIXS technique are discussed that can significantly improve its structure analysis by using the new synchrotron radiation sources such as third-generation X-ray sources with picosecond pulses and partial coherence and fourth-generation X-ray laser sources with femtosecond pulses and full coherence.

Pneumolysin/Plasma Protein Adsorption, Bacterial Adherence, and Cell Adhesion Characteristics of a Cell-Membrane-Mimicking Polymer System.

This study delivers the first report on a cell-membrane-mimicking polymer system, poly[oxy(4-(13-cholenoatenonyl)-1,2,3-triazoyl-1-methyl)ethylene-random-oxy(4-(13-phosphorylcholinenonyl)-1,2,3-triazoyl-1-methyl)ethylene] (PGA-CholmPCn) films in various compositions in terms of physicochemical properties, protein adsorptions, bacterial adherences, and human cell adhesions. Higher Chol-containing PGA-CholmPCn in a self-assembled multi-bilayer membrane structure is confirmed to show excellently high affinity to pneumolysin (a cytolysin) and its C-terminal fragment (domain 4) but substantially suppressed affinity to the N-terminal fragment (domains 1-3) and further to plasma proteins. Furthermore, the adherences of pathogenic bacteria are increased favorably; however, the adhesion and proliferation of a human HEp-2 cell line are hindered severely. In contrast, higher-PC-containing PGA-CholmPCn membranes promote HEp-2 cell adhesion and proliferation but significantly suppress the adsorptions of pneumolysin and its fragments and plasma proteins as well as bacterial adherence. The results collectively confirm that PGA-CholmPCn can yield a membrane platform enriched with hydrophobic Chol and hydrophilic and zwitterionic PC moieties in any desired compositions, providing highly selective and sensitive physicochemical characters and biocompatibilities which are demanded for applications in various fields including biomedicine, cosmetics, and environmentally friendly consumer products.

pH-dependent structures of ferritin and apoferritin in solution: disassembly and reassembly.

The pH-dependent structures of the ferritin shell (apoferritin, 24-mer) and the ferrihydrite core, under physiological conditions that permit enzymatic activity, were investigated by synchrotron small-angle X-ray scattering (SAXS). The solution structure of apoferritin was found to be nearly identical to the crystal structure. The shell thickness and hollow core volumes were estimated. The intact hollow spherical apoferritin was stable over a wide pH range, 3.40-10.0, and the ferrihydrite core was stable over the pH range 2.10-10.0. The apoferritin subunits underwent aggregation below pH 0.80, whereas the ferrihydrite cores aggregated below pH 2.10 as a result of the disassembly of the ferritin shell under the strongly acidic conditions. As the pH decreased from 3.40 to 0.80, apoferritin underwent stepwise disassembly by first forming a hollow sphere with two holes, then a headset-shaped structure, and, finally, rodlike oligomers. As the pH was increased from pH 1.96, the disassembled rodlike oligomers recovered only to the headset-shaped structure, and the disassembled headset-shaped intermediates recovered only to the hollow spherical structure with two hole defects. The apoferritin hole defects that formed during the disassembly process did not heal as the pH was increased to neutral or slightly basic conditions. The pH-induced apoferritin disassembly and reassembly processes were not fully reversible, although they were pseudoreversible over a limited pH range, between 10.0 and 2.66.

Well-defined DNA-mimic brush polymers bearing adenine moieties: synthesis, layer-by-layer self-assembly, and biocompatibility.

Two new DNA-mimicking brush polymers were synthesized: poly[oxy(11-(3-(9-adeninyl)propionato)-undecanyl-1-thiomethyl)ethylene] (PECH-AP) and poly[oxy(11-(5-(9-adenylethyloxy)-4-oxopentanoato)undecanyl-1-thiomethyl)ethylene] (PECH-AS). These polymers were found to be thermally stable up to 220 °C and could be applied easily by conventional coating processes to produce good quality films. Interestingly, both brush polymers formed molecular multibilayer structures to provide an adenine-rich surface. Despite the structural similarities, PECH-AS surprisingly exhibited higher hydrophilicity and better water sorption properties than PECH-AP. These differences were attributed to the chemical structures in the bristles of the polymers. The adenine-rich surfaces of the polymer films demonstrated selective protein adsorption, suppressed bacterial adherence, facilitated HEp-2 cell adhesion, and exhibited good biocompatibility in mice. However, the high hydrophilicity and good water sorption characteristics of the PECH-AS film suggest that this brush polymer is better suited to applications requiring good biocompatibility and reduced chance of bacterial infection compared with the PECH-AP film.

Seventeen-Armed Star Polystyrenes in Various Molecular Weights: Structural Details and Chain Characteristics.

Star-shaped polymers are very attractive because of their potential application ability in various technological areas due to their unique molecular topology. Thus, information on the molecular structure and chain characteristics of star polymers is essential for gaining insights into their properties and finding better applications. In this study, we report molecular structure details and chain characteristics of 17-armed polystyrenes in various molecular weights: 17-Arm(2k)-PS, 17-Arm(6k)-PS, 17-Arm(10k)-PS, and 17-Arm(20k)-PS. Quantitative X-ray scattering analysis using synchrotron radiation sources was conducted for this series of star polymers in two different solvents (cyclohexane and tetrahydrofuran), providing a comprehensive set of three-dimensional structure parameters, including radial density profiles and chain characteristics. Some of the structural parameters were crosschecked by qualitative scattering analysis and dynamic light scattering. They all were found to have ellipsoidal shapes consisting of a core and a fuzzy shell; such ellipse nature is originated from the dendritic core. In particular, the fraction of the fuzzy shell part enabling to store desired chemicals or agents was confirmed to be exceptionally high in cyclohexane, ranging from 74 to 81%; higher-molecular-weight star polymer gives a larger fraction of the fuzzy shell. The largest fraction (81%) of the fuzzy shell was significantly reduced to 52% in tetrahydrofuran; in contrast, the lowest fraction (19%) of core was increased to 48%. These selective shell contraction and core expansion can be useful as a key mechanism in various applications. Overall, the 17-armed polystyrenes of this study are suitable for applications in various technological fields including smart deliveries of drugs, genes, biomedical imaging agents, and other desired chemicals.

Quantitative Structural Analysis of Polystyrene Nanoparticles Using Synchrotron X-Ray Scattering and Dynamic Light Scattering.

A series of polystyrene nanoparticles (PS-1, PS-2, PS-3, and PS-4) in aqueous solutions were investigated in terms of morphological structure, size, and size distribution. Synchrotron small-angle X-ray scattering analysis (SAXS) was carried out, providing morphology details, size and size distribution on the particles. PS-1, PS-2, and PS-3 were confirmed to behave two-phase (core and shell) spherical shapes, whereas PS-4 exhibited a single-phase spherical shape. They all revealed very narrow unimodal size distributions. The structural parameter details including radial density profile were determined. In addition, the presence of surfactant molecules and their assemblies were detected for all particle solutions, which could originate from their surfactant-assisted emulsion polymerizations. In addition, dynamic light scattering (DLS) analysis was performed, finding only meaningful hydrodynamic size and intensity-weighted mean size information on the individual PS solutions because of the particles' spherical nature. In contrast, the size distributions were extracted unrealistically too broad, and the volume- and number-weighted mean sizes were too small, therefore inappropriate to describe the particle systems. Furthermore, the DLS analysis could not detect completely the surfactant and their assemblies present in the particle solutions. Overall, the quantitative SAXS analysis confirmed that the individual PS particle systems were successfully prepared with spherical shape in a very narrow unimodal size distribution.

pH-dependent structures of an i-motif DNA in solution.

We have investigated for the first time the structure of i-motif DNA in solution at various pH conditions by using synchrotron small-angle X-ray scattering technique. To facilitate direct structural comparison between solution structures of i-motif DNA at various pH values, we created atomic coordinates of i-motif DNA from a fully folded to unfolded atomic model. Under mild acidic conditions, the conformations for i-motif DNA appeared to be similar to that of the partially unfolded i-motif atomic model in overall shape, rather than the fully folded i-motif atomic model. Collectively, our observations indicate that i-motif DNA molecule is structurally dynamic over a wide pH range, adopting multiple conformations ranging from the folded i-motif structure to a random coil conformation. As the i-motif structure has been used as an important component in nanomachines, we can therefore believe that the structural evidence presented herein will promote the development of future DNA-based molecular-actuator devices.

Nonvolatile unipolar and bipolar bistable memory characteristics of a high temperature polyimide bearing diphenylaminobenzylidenylimine moieties.

This study reports the synthesis and properties (in particular, the electrical switching characteristics) of a new high-performance polyimide (PI), poly(3,3'-di(4-(diphenylamino)benzylidenyliminoethoxy)-4,4'-biphenylene hexafluoroisopropylidenediphthalimide) (6F-HAB-TPAIE PI). This PI polymer bears diphenylaminobenzylidenylimine moieties as side groups and is dimensionally stable up to 280 degrees C and thermally stable up to 440 degrees C. In devices fabricated with the PI polymer as an active memory layer, the active PI polymer was found to operate at less than +/-2 V in electrically bistable unipolar and bipolar switching modes by controlling the compliance current. The PI polymer layer exhibits repeatable writing-reading-erasing capability with high reliability in ambient air conditions as well as at high temperatures up to 130 degrees C. This PI polymer also exhibits a high ON/OFF current ratio up to 10(9). The observed nonvolatile memory behaviors are due to Schottky emission and local filament formation. This study has demonstrated that this thermally, dimensionally stable PI polymer is a promising material for mass production at low cost for high-performance, programmable, nonvolatile memory devices that can be operated with low power consumption in unipolar and bipolar switching modes.

Programmable digital memory devices based on nanoscale thin films of a thermally dimensionally stable polyimide.

We have fabricated electrically programmable memory devices with thermally and dimensionally stable poly(N-(N',N'-diphenyl-N'-1,4-phenyl)-N,N-4,4'-diphenylene hexafluoroisopropylidene-diphthalimide) (6F-2TPA PI) films and investigated their switching characteristics and reliability. 6F-2TPA PI films were found to reveal a conductivity of 1.0 x 10(-13)-1.0 x 10(-14) S cm(-1). The 6F-2TPA PI films exhibit versatile memory characteristics that depend on the film thickness. All the PI films are initially present in the OFF state. The PI films with a thickness of >15 to <100 nm exhibit excellent write-once-read-many-times (WORM) (i.e. fuse-type) memory characteristics with and without polarity depending on the thickness. The WORM memory devices are electrically stable, even in air ambient, for a very long time. The devices' ON/OFF current ratio is high, up to 10(10). Therefore, these WORM memory devices can provide an efficient, low-cost means of permanent data storage. On the other hand, the 100 nm thick PI films exhibit excellent dynamic random access memory (DRAM) characteristics with polarity. The ON/OFF current ratio of the DRAM devices is as high as 10(11). The observed electrical switching behaviors were found to be governed by trap-limited space-charge-limited conduction and local filament formation and further dependent on the differences between the highest occupied molecular orbital and the lowest unoccupied molecular orbital energy levels of the PI film and the work functions of the top and bottom electrodes as well as the PI film thickness. In summary, the excellent memory properties of 6F-2TPA PI make it a promising candidate material for the low-cost mass production of high density and very stable digital nonvolatile WORM and volatile DRAM memory devices.

Precursor polymer effect on polyimide/silica hybrid nanocomposite films.

Here we report the influence of the polyimide precursor type on the surface morphology and properties of poly(p-phenylene biphenyltetracarboximide) (BPDA-PDA PI)/silica hybrid composite films. Two types of precursor polymer were employed: poly(p-phenylene biphenyltetracarboxamic acid) (BPDA-PDA PAA) and poly(p-phenylene biphenyltetracarboxamic diethyl ester) (BPDA-PDA PES). These precursor polymers were mixed with tetraethoxysilane in the presence of HCl and H2O, which led to the precursor mixture films that contain in-situ generated silica particles via sol-gel process. Then the precursor mixture films were subject to thermal imidization to make polyimide/silica hybrid composite films. Results showed that the PAA precursor has better compatibility with silica particles, which is mainly attributed to the early making of silyl ester bonds (as evidenced by X-ray photoelectron spectroscopy) between carboxylic acid groups in the PAA and hydroxyl groups in silanol molecules. Further evidences were provided by the measurement of surface nanomorphology, crystal nanostructure, thermal/mechanical properties, and optical birefringence.

Bacillus licheniformis α-amylase: Structural feature in a biomimetic solution and structural changes in extrinsic conditions.

Bacillus licheniformis α-amylase (BLA) in a biomimetic buffer and extrinsic solutions (various pH values, temperatures, and metal ions) has been investigated for the first time in the view of three-dimensional (3D) structure by synchrotron X-ray and dynamic light scattering analyses. BLA in buffer is determined to have a structure resembling its crystallographic structure; but the 3D structure is slightly larger than the crystal structure. Such a structure is maintained with little variations in extrinsic solutions of pH 4.0-9.7, temperature 4-55 °C, and metal ions such as Ba2+, Mg2+, and Li+. These results collectively inform that BLA tends to favorably form a stable monomeric structure, which could provide structural clues to its enzymatic activities in moderate levels. Interestingly, BLA is found to reveal highly expanded structures at 65-75 °C and in Co2+ solution, which could correlate to the significantly pronounced enzymatic activities. However, BLA shows somewhat shrunken structures at pH 3.0 and in Hg2+ solution, supporting for the suppressed activities under these conditions.

Molecular fibers based on the honeycomb-like self-assembly of an alpha-helical polypeptide.

We have succeeded in fabricating well-grown molecular fibers of a polypeptide on substrates by using a conventional solution spin-coating and drying process. These molecular fibers were found to consist of a honeycomb-like molecular assembly formed via the hexagonal close packing of the polypeptide chains in the alpha-helix conformation.

Synchrotron small-angle X-ray scattering studies of the structure of porcine pepsin under various pH conditions.

Structural characteristics of various conformational states of porcine pepsin in solution under different pH conditions were investigated in terms of size and shape by small-angle X-ray scattering (SAXS). Low-resolution structural models of porcine pepsin were reconstructed from SAXS data, which were made inside the search volume of maximum dimension (Dmax), calculated from the pair distance distribution function p(r). The reconstructed structural models were obtained without imposing any restrictions on the symmetry or anisometry of the pepsin molecule. Under conditions emulating those for physiological activity of the enzyme, the reconstructed structural models exhibited a more extended C-terminal domain compared to the crystal structure. The differences between the solution and crystal structures of pepsin can be explained by inherent conformations of the flexible subdomain in the C-terminal domain under the solution pH conditions. Under mild acidic conditions where the enzyme is inactive, the reconstructed structural models revealed a compact globular conformation similar in overall shape to the crystal structure. These results indicate that the changes in fluorescence and circular dichroism curves observed under acidic conditions could also arise from the inherent conformation of the flexible subdomain, which has a tendency to roll into a sphere in the overall structure, but without affecting the stability of internal structure. Furthermore, the conformational changes in the subdomain might explain the inactivity of pepsin under mildly acidic conditions. Finally, compared to neutral denaturing conditions, pepsin under alkaline denaturing conditions had a larger expanded vertical conformation in the reconstructed model, as a consequence of alkaline denaturation of the N-terminal domain and a fully extended conformation of the C-terminal domain. The structural evidence presented here may have important implications for understanding the relationship between the structure of porcine pepsin and enzymatic function.

Small-angle X-ray scattering studies on structures of an estrogen-related receptor alpha ligand binding domain and its complexes with ligands and coactivators.

We have investigated the structure of the mouse estrogen-related receptor alpha ligand binding domain (mERRalpha LBD) with a flexible hinge region (including more than 30 residues) in solution and the variations of its structure in response to binding with various ligands and coactivators by using synchrotron small-angle X-ray scattering (SAXS) and biochemical analysis. The mERRalpha LBD alone and in complex with the domain containing all three leucine-rich repeats of human peroxisome proliferator-activated receptor gamma coactivator-1alpha (hPGC-1alpha) were both cloned and expressed in Escherichia coli and purified to homogeneity. We also synthesized steroid receptor coactivator-1 (SRC-1), a 15-mer peptide corresponding to the leucine-rich repeat 4 of human SRC-1. We tested 4-hydroxytamoxifen, diethylstilbestrol, chlordane, genistein, daidzein, and biochanin A as ligands. SAXS and biochemical analyses were used to show that the apo mERRalpha LBD is present as a homodimer in solution. The apo mERRalpha LBD homodimer has an asymmetrically ellipsoidal shape with a lower region that includes the extended hinge domain. It was found that the homodimer always undergoes some structural changes in cooperation with the hinge domain when it binds with ligands. These structural changes are probably due to changes in the conformation of the mERRalpha LBD ligand binding pocket, which has a relatively small volume when ligand bindings occur. Overall, all the tested ligands have similar impacts on the structure of the mERRalpha LBD. In contrast, the mERRalpha LBD:hPGC-1alpha complex has a Y-shaped structure, which is quite different from the structures of the mERRalpha LBD bound with ligands. This result provides important information about the spatial orientation of the flexible disordered and/or relatively rigid regions bearing all three L1, L2, and L3 motifs of the partially unfolded hPGC-1alpha fragments, which are involved in the interaction with the mERRalpha LBD. The mERRalpha LBD was found to have a strong binding affinity with the hPGC-1alpha coactivator fragment, which arises from the cooperativity of the three leucine-rich motifs in the coactivator binding mode. In contrast, the mERRalpha LBD complex with SRC-1 was found to have a structure very similar to that of the apo mERRalpha LBD, which provides a foundation for a ligand-independent understanding of the constitutively transcriptional activity of apo ERRs.