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The alkaline α-galactosidase AtAkαGal3 from Arabidopsis thaliana catalyzes the hydrolysis of α-D-galactose from galacto-oligosaccharides under alkaline conditions. A phylogenetic analysis based on sequence alignment classifies AtAkαGal3 as more closely related to the raffinose family of oligosaccharide (RFO) synthases than to the acidic α-galactosidases. Here, thin-layer chromatography is used to demonstrate that AtAkαGal3 exhibits a dual function and is capable of synthesizing stachyose using raffinose, instead of galactinol, as the galactose donor. Crystal structures of complexes of AtAkαGal3 and its D383A mutant with various substrates and products, including galactose, galactinol, raffinose, stachyose and sucrose, are reported as the first representative structures of an alkaline α-galactosidase. The structure of AtAkαGal3 comprises three domains: an N-terminal domain with 13 antiparallel β-strands, a catalytic domain with an (α/β)8-barrel fold and a C-terminal domain composed of β-sheets that form two Greek-key motifs. The WW box of the N-terminal domain, which comprises the conserved residues FRSK75XW77W78 in the RFO synthases, contributes Trp77 and Trp78 to the +1 subsite to contribute to the substrate-binding ability together with the (α/β)8 barrel of the catalytic domain. The C-terminal domain is presumably involved in structural stability. Structures of the D383A mutant in complex with various substrates and products, especially the natural substrate/product stachyose, reveal four complete subsites (–1 to +3) at the catalytic site. A functional loop (residues 329–352) that exists in the alkaline α-galactosidase AtAkαGal3 and possibly in RFO synthases, but not in acidic α-galactosidases, stabilizes the stachyose at the +2 and +3 subsites and extends the catalytic pocket for the transferase mechanism. Considering the similarities in amino-acid sequence, catalytic domain and activity between alkaline α-galactosidases and RFO synthases, the structure of AtAkαGal3 might also serve a model for the study of RFO synthases, structures of which are lacking.

Two crystal structures of the histidine-containing phospho­transfer protein (HptB) and the receiver domain of the hybrid sensor histidine kinase PA1611 (PA1611REC) in the two-component regulatory system of Pseudomonas aeruginosa have been determined. With the modeled structure of the PA1611REC/HptB complex, the interactions and phospho­ryl group transfer between HptB and PA1611REC are elucidated., In Pseudomonas aeruginosa, an important opportunistic pathogen that causes numerous acute and chronic infections, the hybrid two-component system (TCS) regulates the swarming ability and biofilm formation with a multistep phospho­relay, and consists of hybrid-sensor histidine kinase (HK), histidine-containing phospho­transfer protein (Hpt) and response regulator (RR). In this work, two crystal structures of HptB and the receiver domain of HK PA1611 (PA1611REC) of P. aeruginosa have been determined in order to elucidate their interactions for the transfer of the phospho­ryl group. The structure of HptB folds into an elongated four-helix bundle – helices α2, α3, α4 and α5, covered by the short N-terminal helix α1. The imidazole side chain of the conserved active-site histidine residue His57, located near the middle of helix α3, protrudes from the bundle and is exposed to solvent. The structure of PA1611REC possesses a conventional (β/α)5 topology with five-stranded parallel β-sheets folded in the central region, surrounded by five α-helices. The divalent Mg2+ ion is located in the negatively charged active-site cleft and interacts with Asp522, Asp565 and Arg567. The HptB–PA1611REC complex is further modeled to analyze the binding surface and interactions between the two proteins. The model shows a shape complementarity between the convex surface of PA1611REC and the kidney-shaped HptB with fewer residues and a different network involved in interactions compared with other TCS complexes, such as SLN1-R1/YPD1 from Saccharomyces cerevisiae and AHK5RD/AHP1 from Arabidopsis thaliana. These structural results provide a better understanding of the TCS in P. aeruginosa and could potentially lead to the discovery of a new treatment for infection.

The protrusion domain (P-domain; MrNVPd) of Macrobrachium rosenbergii nodavirus (MrNV) exists in two conformations, parallel and X-shaped. We have performed a theoretical study to gain insight into the nature of the dimeric interactions involving the dimeric interfaces within parallel and X-shaped conformations of MrNVPd by applying the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses in the framework of the density functional theory (DFT) approach. The results reveal that the dimer–dimer interfaces of MrNVPd have hydrogen bonds of common types. Leu255–Lys287, Tyr257–Lys287, Lys287–Ser253, Met294–Cys328, Asp295–Lys327, Ser298–Ser324, Ile326–Asp295, and Cys328–Met294 are the key residue pairs of the dimer–dimer interfaces to maintain the dimer–dimer structures of MrNVPd through charge–charge, charge–dipole, dipole–dipole, hydrophobic, and hydrogen bonding interactions. The strengths of these intermolecular dimer–dimer interactions in the parallel conformation are much greater than those in the X-shaped conformation. The parallel trimeric interface is held basically by electrostatic and hydrophobic interactions. The electrostatic interactions accompanying a strong hydrogen bond of Oγ1–Hγ1···Oγ1 in the Thr276 A–Thr276 D pair maintain the intermolecular interface of two X-shaped MrNVPd dimers.

In this paper, we propose to manipulate a nonrelativistic electron beam during its emission and acceleration to create nanobunched electrons. Specifically, we simulate the acceleration of a structured electron beam emitted from a multiring photocathode in a photoinjector and show that, after acceleration, such a transversely structured beam can be transformed into a hollow beam with a longitudinal density modulation in the petahertz frequency range. Our theoretical study shows that, in the far-field zone, the coherent radiation of the bunched hollow beam approaches that of a similarly bunched solid beam in the paraxial limit.

The protrusion-domain (P-domain) of Penaeus vannamei nodavirus (PvNV) exists as two dimer-dimer conformations: one is a protein dimer and the other is a protein tetramer. We undertook a theoretical study to gain a clear understanding of the nature of the stabilizing interactions at the dimeric interfaces of the dimeric and tetrameric conformations of the PvNV P-domain (PvNVPd) using the quantum theory of atoms in molecules (QTAIM) and natural-bond orbital (NBO) analyses in the framework of the density-functional theory (DFT) approach. The QTAIM analysis characterized the presence of multiple hydrogen bonds of common types with strength ranging from electrostatic to the covalent limit inside the PvNVPd dimer-dimer interfaces. Val257-Lys335, Phe294-Val330, Gln296-Thr328, Glu296-Thr329, Thr328-Gln297, Val330-Ala293, Lys335-Asp256 and Lys335-Val257 pairs are critical residue pairs of all three dimeric interfaces of PvNVPd. They preserve these dimeric interfaces through charge-charge, charge-dipole, dipole-dipole, hydrophobic and hydrogen bond interactions. The strongest intermolecular dimer–dimer interactions belong to the dimeric interface between subunits A and B of PvNVPd in the tetrameric conformation.

The human hepatoma-derived growth factor (HDGF), containing the chromatin-associated N-terminal PWWP domain capable of binding the SMYD1 promoter, participates in various cellular processes and is involved in human cancers. We report the first crystal structures of the human HDGF PWWP domain (residues 1–100) in a complex with SMYD1 of 10 bp at 2.84 Å resolution and its apo form at 3.3 Å, respectively. The structure of the apo PWWP domain comprises mainly four β-strands and two α-helices. The PWWP domain undergoes domain swapping to dramatically transform its secondary structures, altering the overall conformation from monomeric globular folding into an extended dimeric structure upon DNA binding. The flexible loop2, as a hinge loop with the partially built structure in the apo PWWP domain, notably refolds into a visible and stable α-helix in the DNA complex. The swapped PWWP domain interacts with the minor grooves of the DNA through residues Lys19, Gly22, Arg79 and Lys80 in varied ways on loops 1 and 4 of the two chains, and the structure becomes more rigid than the apo form. These novel structural findings, together with physiological and activity assays of HDGF and the PWWP domain, provide new insights into the DNA-binding mechanism of HDGF during nucleosomal functions.

Shrimp nodaviruses, including Penaeus vannamei (PvNV) and Macrobrachium rosenbergii nodaviruses (MrNV), cause white-tail disease in shrimps, with high mortality. The viral capsid structure determines viral assembly and host specificity during infections. Here, we show cryo-EM structures of T = 3 and T = 1 PvNV-like particles (PvNV-LPs), crystal structures of the protrusion-domains (P-domains) of PvNV and MrNV, and the crystal structure of the ∆N-ARM-PvNV shell-domain (S-domain) in T = 1 subviral particles. The capsid protein of PvNV reveals five domains: the P-domain with a new jelly-roll structure forming cuboid-like spikes; the jelly-roll S-domain with two calcium ions; the linker between the S- and P-domains exhibiting new cross and parallel conformations; the N-arm interacting with nucleotides organized along icosahedral two-fold axes; and a disordered region comprising the basic N-terminal arginine-rich motif (N-ARM) interacting with RNA. The N-ARM controls T = 3 and T = 1 assemblies. Increasing the N/C-termini flexibility leads to particle polymorphism. Linker flexibility may influence the dimeric-spike arrangement., Nai-Chi Chen et al. solved the structures of two shrimp nodaviruses, focusing on the major domains to improve understanding of capsid organization. By combining cryo-EM and x-ray crystallography, the authors were able to observe the structures at a high resolution.

International journal of modern physics / A 34(36), 1942031 - (2019). doi:10.1142/S0217751X19420314, Dielectric Laser Acceleration (DLA) achieves the highest gradients among structure-based electron accelerators. The use of dielectrics increases the breakdown field limit, and thus the achievable gradient, by a factor of at least 10 in comparison to metals. Experimental demonstrations of DLA in 2013 led to the Accelerator on a Chip International Program (ACHIP), funded by the Gordon and Betty Moore Foundation. In ACHIP, our main goal is to build an accelerator on a silicon chip, which can accelerate electrons from below 100 keV to above 1 MeV with a gradient of at least 100 MeV/m. For stable acceleration on the chip, magnet-only focusing techniques are insufficient to compensate the strong acceleration defocusing. Thus, spatial harmonic and Alternating Phase Focusing (APF) laser-based focusing techniques have been developed. We have also developed the simplified symplectic tracking code DLAtrack6D, which makes use of the periodicity and applies only one kick per DLA cell, which is calculated by the Fourier coefficient of the synchronous spatial harmonic. Due to coupling, the Fourier coefficients of neighboring cells are not entirely independent and a field flatness optimization (similarly as in multi-cell cavities) needs to be performed. The simulation of the entire accelerator on a chip by a Particle In Cell (PIC) code is possible, but impractical for optimization purposes. Finally, we have also outlined the treatment of wake field effects in attosecond bunches in the grating within DLAtrack6D, where the wake function is computed by an external solver., Published by World Scientific Publ., Singapur

Guan, H., Hsieh, Y., Lin, P. et al. Structural insights into the electron/proton transfer pathways in the quinol : fumarate reductase from Desulfovibrio gigas. Sci Rep 8, 14935 (2018) doi:10.1038/s41598-018-33193-5, The membrane-embedded quinol: fumarate reductase (QFR) in anaerobic bacteria catalyzes the reduction of fumarate to succinate by quinol in the anaerobic respiratory chain. The electron/protontransfer pathways in QFRs remain controversial. Here we report the crystal structure of QFR from the anaerobic sulphate-reducing bacterium Desulfovibrio gigas (D. gigas) at 3.6 Å resolution. The structure of the D. gigas QFR is a homo-dimer, each protomer comprising two hydrophilic subunits, A and B, and one transmembrane subunit C, together with six redox cofactors including two b-hemes. One menaquinone molecule is bound near heme bL in the hydrophobic subunit C. This location of the menaquinone-binding site differs from the menaquinol-binding cavity proposed previously for QFR from Wolinella succinogenes. The observed bound menaquinone might serve as an additional redox cofactor to mediate the proton-coupled electron transport across the membrane. Armed with these structuralinsights, we propose electron/proton-transfer pathways in the quinol reduction of fumarate to succinate in the D. gigas QFR.

The proposed hybrid Schottky–ohmic drain structure is analyzed in detail for AlGaN/GaN power high-electron mobility transistors on the Si substrate. Without any additional photomasks and process steps, the hybrid drain design can alter the electric field distribution to improve the breakdown voltage $V_{\rm BK}$ . In addition, it provides an additional current path to achieve zero onset voltage and reduce the ON-resistance. It was found that the Schottky extension $L_{\rm ext}$ is critical to $V_{\rm BK}$ , $R_{{\mathrm{{\scriptstyle ON}}}}$ , and also the current collapse phenomena of the transistors. The extended Schottky electrodes for optimized transistor characteristics are investigated, and the physics behind are discussed. With an $L_{\rm ext}\sim 2$ –3 $\mu $ m, $V_{\rm BK}$ can be improved up to 60% with an $R_{{\mathrm{{\scriptstyle ON}}}}$ degradation below 3%.

The use of infrared lasers to power optical-scale lithographically fabricated particle accelerators is a developing area of research that has garnered increasing interest in recent years. The physics and technology of this approach is reviewed, which is referred to as dielectric laser acceleration (DLA). In the DLA scheme operating at typical laser pulse lengths of 0.1 to 1 ps, the laser damage fluences for robust dielectric materials correspond to peak surface electric fields in the $\mathrm{GV}/\mathrm{m}$ regime. The corresponding accelerating field enhancement represents a potential reduction in active length of the accelerator between 1 and 2 orders of magnitude. Power sources for DLA-based accelerators (lasers) are less costly than microwave sources (klystrons) for equivalent average power levels due to wider availability and private sector investment. Because of the high laser-to-particle coupling efficiency, required pulse energies are consistent with tabletop microJoule class lasers. Combined with the very high (MHz) repetition rates these lasers can provide, the DLA approach appears promising for a variety of applications, including future high-energy physics colliders, compact light sources, and portable medical scanners and radiative therapy machines.

Crystal structure of the protrusion domain (P-domain) of the grouper nervous necrosis virus (GNNV) shows the presence of three-fold trimeric protrusions with two asymmetrical calcium cations along the non-crystallographic three-fold axis. The trimeric interaction natures of the interacting residues and the calcium cations with the neighboring residues within the trimeric interface have been studied by the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses in the framework of the density-functional theory (DFT) approach. The results revealed that residues Leu259, Val274, Trp280, and Gln322 of subunit A, Arg261, Asp275, Ala277, and Gln322 of subunit B, Leu259, Asp260, Arg261, Ala277, Val278, and Leu324 of subunit C are the main residues involved in the trimeric interactions. Charge-dipole, dipole-dipole, and hydrogen bonding interactions make the significant contributions to these trimeric interactions. Among different interacting residues within trimeric interface, residue pair Arg261 B-Leu259C forms the strongest hydrogen bond inside the interface between subunits B and C. It was also found that calcium cations interact with residues Asp273, Val274, and Asp275 of subunits A, B, and C through charge-charge and charge transfer interactions.

A novel direct phase-selection method to select optimized phases from the ambiguous phases of a subset of reflections to replace the corresponding initial SAD phases has been developed. With the improved phases, the completeness of built residues of protein molecules is enhanced for efficient structure determination., Optimization of the initial phasing has been a decisive factor in the success of the subsequent electron-density modification, model building and structure determination of biological macromolecules using the single-wavelength anomalous dispersion (SAD) method. Two possible phase solutions (ϕ1 and ϕ2) generated from two symmetric phase triangles in the Harker construction for the SAD method cause the well known phase ambiguity. A novel direct phase-selection method utilizing the θDS list as a criterion to select optimized phases ϕam from ϕ1 or ϕ2 of a subset of reflections with a high percentage of correct phases to replace the corresponding initial SAD phases ϕSAD has been developed. Based on this work, reflections with an angle θDS in the range 35–145° are selected for an optimized improvement, where θDS is the angle between the initial phase ϕSAD and a preliminary density-modification (DM) phase ϕDM NHL. The results show that utilizing the additional direct phase-selection step prior to simple solvent flattening without phase combination using existing DM programs, such as RESOLVE or DM from CCP4, significantly improves the final phases in terms of increased correlation coefficients of electron-density maps and diminished mean phase errors. With the improved phases and density maps from the direct phase-selection method, the completeness of residues of protein molecules built with main chains and side chains is enhanced for efficient structure determination.

We report superior terahertz parametric generation from potassium titanyl phosphate (KTP) over congruent-grown lithium niobate (CLN) and lithium tantalate (CLT) in terms of parametric gain and laser damage resistance. Under the same pump and crystal configurations, the signal emerged first from KTP, 5% Mg-doped CLN, CLN, and then finally from CLT. The signal growth rate in KTP was comparable to that in 5%-Mg-doped CLN, but the signal power from KTP reached a much higher value after all the other crystals were damaged by the pump laser. We further demonstrate seeded terahertz parametric amplification in an edge-cut KTP at 5.74 THz. The THz parametric amplifier (TPA) employs a 17-mm long KTP gain crystal, pumped by a passively Q-switched pump laser at 1064 nm and seeded by a continuous-wave diode laser tuned to the signal wavelength at 1086.2 nm. With 5.8-mJ energy in a 520-ps pump pulse and 100-mW seed signal power, we measured 5-W peak-power THz output from the KTP TPA with 22% pump depletion. In comparison, we measured no detectable THz output power from a similar edge-cut CLN TPA under the same pump power, detection scheme, and crystal configuration, when tuning the seed laser wavelength to 1072.2 nm and attempting to generate a radiation at 2.1 THz.

In the far-infrared spectrum between 20 and 60 μm, the free-electron laser (FEL) is the only wavelength-tunable coherent radiation source capable of generating kilowatt to megawatt peak powers with a linewidth of the order of 1%. Here, we report the detection of >70 kW radiation power at about 52 μm in a 45 kW radiation power for the far-infrared radiation. With 63% coupling efficiency of the silicon prism atop the KTP crystal, the measured >70 and >45 kW far-infrared radiation correspond to >111 and >71 kW powers extracted from the KTP crystal of the seeded off-axis THz parametric oscillator. The radiation source accomplished in this work has great potential to become a tabletop and economical alternative for the bulky and expensive far-infrared FELs in national facilities.

We report an Nd:YAG laser pumped by light emission diodes (LEDs) at 750 nm. With 1% output coupling from a linear cavity containing a 2-cm long Nd:YAG crystal, the laser generated 37.5 μJ pulse energy at 1064 nm with M2 = 1.1 when pumped by 2.73-mJ LED energy in a 1-ms pulse at a 10 Hz rate. The measured optical and slope efficiencies for this linear-cavity laser are 1.36, and 9%, respectively. With 1 and 5% output couplings from a Z-cavity containing the same laser crystal, the lasers generated 346 and 288 μJ pulse energy with an optical efficiency of 3.4 and 2.8% and slope efficiency of 6.6 and 14%, respectively, for the same 1-ms pump pulse repeating at a 10 Hz rate. At the highest output from the Z-cavity, the measured M2 for the beam is 3.6.

Chitinases hydrolyze chitin, an insoluble linear polymer of N-acetyl-d-glucosamine (NAG)n, into nutrient sources. Bacillus cereus NCTU2 chitinase (ChiNCTU2) predominantly produces chitobioses and belongs to glycoside hydrolase family 18. The crystal structure of wild-type ChiNCTU2 comprises only a catalytic domain, unlike other chitinases that are equipped with additional chitin binding and insertion domains to bind substrates into the active site. Lacking chitin binding and chitin insertion domains, ChiNCTU2 utilizes two dynamic loops (Gly-67—Thr-69 and Ile-106–Val-112) to interact with (NAG)n, generating novel substrate binding and distortion for catalysis. Gln-109 is crucial for direct binding with substrates, leading to conformational changes of two loops with a maximum shift of ∼4.6 Å along the binding cleft. The structures of E145Q, E145Q/Y227F, and E145G/Y227F mutants complexed with (NAG)n reveal (NAG)2, (NAG)2, and (NAG)4 in the active site, respectively, implying various stages of reaction: before hydrolysis, E145G/Y227F with (NAG)4; in an intermediate state, E145Q/Y227F with a boat-form NAG at the −1 subsite, −1-(NAG); after hydrolysis, E145Q with a chair form −1-(NAG). Several residues were confirmed to play catalytic roles: Glu-145 in cleavage of the glycosidic bond between −1-(NAG) and +1-(NAG); Tyr-227 in the conformational change of −1-(NAG); Asp-143 and Gln-225 in stabilizing the conformation of −1-(NAG). Additionally, Glu-190 acts in the process of product release, and Tyr-193 coordinates with water for catalysis. Residues Asp-143, E145Q, Glu-190, and Tyr-193 exhibit multiple conformations for functions. The inhibitors zinc ions and cyclo-(l-His-l-Pro) are located at various positions and confirm the catalytic-site topology. Together with kinetics analyses of related mutants, the structures of ChiNCTU2 and its mutant complexes with (NAG)n provide new insights into its substrate binding and the mechanistic action.

Adenylylsulfate reductase (adenosine 5′-phosphosulfate [APS] reductase [APSR]) plays a key role in catalyzing APS to sulfite in dissimilatory sulfate reduction. Here, we report the crystal structure of APSR from Desulfovibrio gigas at 3.1-Å resolution. Different from the α 2 β 2 -heterotetramer of the Archaeoglobus fulgidus , the overall structure of APSR from D. gigas comprises six αβ-heterodimers that form a hexameric structure. The flavin adenine dinucleotide is noncovalently attached to the α-subunit, and two [4Fe-4S] clusters are enveloped by cluster-binding motifs. The substrate-binding channel in D. gigas is wider than that in A. fulgidus because of shifts in the loop (amino acid 326 to 332) and the α-helix (amino acid 289 to 299) in the α-subunit. The positively charged residue Arg160 in the structure of D. gigas likely replaces the role of Arg83 in that of A. fulgidus for the recognition of substrates. The C-terminal segment of the β-subunit wraps around the α-subunit to form a functional unit, with the C-terminal loop inserted into the active-site channel of the α-subunit from another αβ-heterodimer. Electrostatic interactions between the substrate-binding residue Arg282 in the α-subunit and Asp159 in the C terminus of the β-subunit affect the binding of the substrate. Alignment of APSR sequences from D. gigas and A. fulgidus shows the largest differences toward the C termini of the β-subunits, and structural comparison reveals notable differences at the C termini, activity sites, and other regions. The disulfide comprising Cys156 to Cys162 stabilizes the C-terminal loop of the β-subunit and is crucial for oligomerization. Dynamic light scattering and ultracentrifugation measurements reveal multiple forms of APSR upon the addition of AMP, indicating that AMP binding dissociates the inactive hexamer into functional dimers, presumably by switching the C terminus of the β-subunit away from the active site. The crystal structure of APSR, together with its oligomerization properties, suggests that APSR from sulfate-reducing bacteria might self-regulate its activity through the C terminus of the β-subunit.

A radio-frequency photoinjector is widely used for generating picosecond-femtosecond electron bunches. During particle acceleration, the electron bunch shape varies under the influence of both the acceleration fields and space charge fields. To restore a distorted electron bunch, we propose an injection phase compensation technique for the electrons by illuminating the photocathode with a pulse-front-corrected laser pulse. Using an S-band 1.6-cell photoinjector as an example, our study shows that the proposed technique can generate nearly undistorted electron bunches up to a bunch rate of a few hundred terahertz.

ZnO-doped near-stoichiometric lithium niobate (SLN) crystals were grown by the zone-leveling Czochralski (ZLCz) technique. The crystal was pulled from a Li-rich (60 mol% of Li 2 O) solution having an SLN solid supplied from below in a slender platinum crucible. The segregation coefficient of ZnO was found being about 0.58, and this could cause dopant segregation along the grown crystal. However, with a higher ZnO concentration in the solution zone, the composition homogeneity along grown crystal could be achieved. The properties of SLN at different zinc concentrations were measured, and the Curie temperature and cutoff wavelength showed a transition with the zinc concentration at about 1 mol%. Based on the reported mechanism, the anti-site defects of the grown crystals were about at the same concentration.

We conducted a series of passively Q-switched Nd:YAG laser pumped optical parametric generation, amplification, and oscillation experiments in monolithic periodically poled lithium niobate (PPLN) crystals. Double-pass optical parametric generation with an effective gain length of 10 cm in a PPLN crystal was performed in comparison with single-pass operation in the same crystal. By seeding a PPLN optical parametric amplifier with a distributed feedback (DFB) diode laser, we produced 200-ps transform-limited laser pulses at 1549.6 nm and observed parametric gain competition at different pump levels. For optical parametric oscillations, we first demonstrated 22% power efficiency from a 2.4-cm intrinsic-cavity PPLN optical parametric oscillator pumped by a 4.2-ns, 10-kW passively Q-switched Nd:YAG laser. Preliminary studies on DFB optical parametric oscillators in PPLN are mentioned. The temporal and spectral properties of these optical parametric generators, amplifiers, and oscillators are characterized and discussed.

We report optical parametric generation from a 532-nm-pumped periodically poled lithium niobate with a wavelength spectrum covering the sodium D/sub 1/, D/sub 2/ wavelengths 589.6 and 589.0 nm. Despite the 8 cm/sup -1/ attenuation at the 5.45 /spl mu/m idler wavelength, the PPLN generates a 9 /spl mu/J/pulse energy near the 589-nm sodium wavelength when pumped by a 130 /spl mu/J/pulse frequency-doubled Nd:YAG Q-switched laser. The observed effective nonlinear coefficient is about 40% higher than its value at the visible and near infrared wavelengths. We believe that this is the first observation of ionic susceptibility enhanced parametric gain in the mid-infrared absorption region of lithium niobate.

Single-crystal silicon-based solar cells laminated with tempered-glass and ceramic tiles for use in a building’s façade have been developed. The optical, thermal, and electrical properties of the proposed PV module are first evaluated, and then a wind-resistance test is carried out to evaluate the feasibility of installing it in Taiwan. The electrical and deflection characteristics of the proposed PV module did not change significantly after a 50 thermal cycling test and a 200-hour humidity-freeze test, based on IEC 61215 and a wind-resistance test. Finally, the electrical power generation ability of the proposed BIPV system with 1 kWp electrical power capacity was examined. Building information modeling software tools were used to simulate the BIPV system and carry out the energy analysis. The simulation results show a very consistent trend with regard to the actual monthly electricity production of the BIPV system designed in this work. The BIPV system was able to produce an accumulative electrical power of 185 kWh during the 6-month experimental period. In addition, the exterior temperature of the demonstration house was about 10°C lower than the surface of the BIPV system, which could reduce indoor temperature.

Xylose reductase (XR), which requires NADPH as a co-substrate, catalyzes the reduction of D-xylose to xylitol, which is the first step in the metabolism of D-xylose. The detailed three-dimensional structure of XR will provide a better understanding of the biological significance of XR in the efficient production of xylitol from biomass. XR of molecular mass 36.6 kDa from Candida tropicalis was crystallized using the hanging-drop vapour-diffusion method. According to X-ray diffraction data from C. tropicalis XR crystals at 2.91 A resolution, the unit cell belongs to space group P3(1) or P3(2). Preliminary analysis indicated the presence of four XR molecules in the asymmetric unit, with 68.0% solvent content.

The branched-chain amino-acid aminotransferase (BCAT), which requires pyridoxal 5'-phosphate (PLP) as a cofactor, is a key enzyme in the biosynthetic pathway of the hydrophobic amino acids leucine, isoleucine and valine. DrBCAT from Deinococcus radiodurans, which has a molecular weight of 40.9 kDa, was crystallized using the hanging-drop vapour-diffusion method. According to X-ray diffraction data to 2.50 A resolution from a DrBCAT crystal, the crystal belongs to space group P2(1)2(1)2(1), with unit-cell parameters a = 56.37, b = 90.70, c = 155.47 A. Preliminary analysis indicates the presence of two DrBCAT molecules in the asymmetric unit, with a solvent content of 47.52%.

A physics experiment for laser-driven, electron acceleration in a structure-loaded vacuum is being carried out at Stanford University. The experiment is to demonstrate the linear dependence of the electron energy gain on the laser field strength. The accelerator structure, made of dielectric, is semi-open, with dimensions a few thousand times the laser wavelength. The electrons traverse the axis of two crossed laser beams to obtain acceleration within a coherence distance. We predict that the demonstration experiment will produce a single-stage, electron energy gain of 300 keV over a 2.5 mm distance. Ultimately, acceleration gradients of 1 GeV m−1 should be possible.

A free-electron laser (FEL) with a component cost, including the accelerator, of approximately $300k, has lased at a wavelength of 85 /spl mu/m with /spl ap/12 ps micropulse duration, achieving a power growth four orders of magnitude greater than the coherent spontaneous emission, and with a small-signal, single-pass gain of 21%. The price is about an order of magnitude less than other FELs for the far infrared, and transforms the device from the role of a national facility to that of a laboratory instrument. Cost reduction was achieved by employing several novel features: a microwave cavity gun for the accelerator, a staggered-array wiggler, and an on-axis hole in the upstream cavity mirror for electron ingress and radiation egress. >

For a hole-coupled resonant cavity without FEL gain, it is possible to have amplitude cancellation of the optical Gaussian modes at the hole location and, as a result, a null is generated to give very low cavity loss due to the presence of the hole. However, in a warm cavity, i.e. when the electron beam is present and the optical power starts to build up, the FEL gain tends to amplify the modes unequally, and the unbalanced gain for different optical modes results in significant power radiated through the hole. In this paper we present a guideline, based upon variation of the Rayleigh length, for mode selection that maximizes net gain.

A compact, far-infrared free-electron laser (FIR-FEL) is operating at 85 /spl mu/m at Stanford University, where the electron beam is obtained from a 1 1/2 cell, thermionic RF (2.856 GHz) cavity gun. This gun was not designed for FEL operation, and under the condition at which it was intended to operate, with a peak acceleration gradient below 85 MV/m, it would not be suitable. We have explored new parameter ranges, and have found that at high peak gradients, from 100-140 MV/m, the gun will function satisfactorily as an FEL accelerator. For example, thirty-nine percent of the total gun current was transmitted through a 1% energy window at a beam energy of /spl gamma/=9.72. At /spl gamma/=9.56, a 304 mA macropulse current with an estimated rms micropulse length of 3.4 ps was obtained, and the normalized rms emittance was measured to be 11.6 /spl pi/-mm-mrad for the 1% energy-spread electrons, corresponding to a beam brightness of 2.3/spl times/10/sup 11/ A/m/sup 2/. For these parameters, the calculated small small-signal gain for our 0.5 m-long wiggler is 110% at a wavelength of 85 /spl mu/m. In this paper we characterize the electron beam from a 1 1/2 cell, thermionic cathode, RF cavity gun in a parameter range where it can be used as the accelerator for a far infrared FEL. >

Branched-chain aminotransferases (BCAT), which utilize pyridoxal 5′-phosphate (PLP) as a cofactor, reversibly catalyze the transfer of the α-amino groups of three of the most hydrophobic branched-chain amino acids (BCAA), leucine, isoleucine, and valine, to α-ketoglutarate to form the respective branched-chain α-keto acids and glutamate. The BCAT from Deinococcus radiodurans ( Dr BCAT), an extremophile, was cloned and expressed in Escherichia coli for structure and functional studies. The crystal structures of the native Dr BCAT with PLP and its complexes with l -glutamate and α-ketoisocaproate (KIC), respectively, have been determined. The Dr BCAT monomer, comprising 358 amino acids, contains large and small domains connected with an interdomain loop. The cofactor PLP is located at the bottom of the active site pocket between two domains and near the dimer interface. The substrate ( l -glutamate or KIC) is bound with key residues through interactions of the hydrogen bond and the salt bridge near PLP inside the active site pocket. Mutations of some interaction residues, such as Tyr71, Arg145, and Lys202, result in loss of the specific activity of the enzymes. In the interdomain loop, a dynamic loop (Gly173 to Gly179) clearly exhibits open and close conformations in structures of Dr BCAT without and with substrates, respectively. Dr BCAT shows the highest specific activity both in nature and under ionizing radiation, but with lower thermal stability above 60°C, than either BCAT from Escherichia coli ( e BCAT) or from Thermus thermophilus (HB8BCAT). The dimeric molecular packing and the distribution of cysteine residues at the active site and the molecular surface might explain the resistance to radiation but small thermal stability of Dr BCAT.

We report forward and backward THz-wave difference frequency generations at 197 and 469 μm from a PPLN rectangular crystal rod with an aperture of 0.5 (height in z) × 0.6 (width in y) mm(2) and a length of 25 mm in x. The crystal rod appears as a waveguide for the THz waves but as a bulk material for the optical mixing waves near 1.54 μm. We measured enhancement factors of 1.6 and 1.8 for the forward and backward THz-wave output powers, respectively, from the rectangular waveguide in comparison with those from a PPLN slab waveguide of the same length, thickness, and domain period under the same pump and signal intensity of 100 MW/cm(2).

A staggered-array wiggler for a far-infrared free-electron laser (FEL) has been built at Stanford, and its magnetic properties have been tested. This type of wiggler has several desirable features: high wiggler field at short wiggler periods, wavelength tuning by a solenoid current, electron beam confinement by a solenoid field, and looser machining tolerances. A 10.8-kilogauss peak wiggler field has been measured at a 7.0-kilogauss solenoid field for a 1.0-cm wiggler period and a 2.0-mm gap. The small-signal gain has been calculated analytically and by computer simulation for a 0.5-m long wiggler. For an 8-A, 9-ps current pulse and a 3.3-MeV electron beam, 5-dB gain is predicted. Twenty- to thirty-percent wavelength tuning can be achieved by adjusting the solenoid field and still maintain reasonable small-signal gain. The pulsed-wire technique was employed to test the field uniformity of this novel wiggler, and the measured field variation was about 1%. >

Fructosyltransferases catalyze the transfer of a fructose unit from one sucrose/fructan to another and are engaged in the production of fructooligosaccharide/fructan. The enzymes belong to the glycoside hydrolase family 32 (GH32) with a retaining catalytic mechanism. Here we describe the crystal structures of recombinant fructosyltransferase (AjFT) from Aspergillus japonicus CB05 and its mutant D191A complexes with various donor/acceptor substrates, including sucrose, 1-kestose, nystose, and raffinose. This is the first structure of fructosyltransferase of the GH32 with a high transfructosylation activity. The structure of AjFT comprises two domains with an N-terminal catalytic domain containing a five-blade beta-propeller fold linked to a C-terminal beta-sandwich domain. Structures of various mutant AjFT-substrate complexes reveal complete four substrate-binding subsites (-1 to +3) in the catalytic pocket with shapes and characters distinct from those of clan GH-J enzymes. Residues Asp-60, Asp-191, and Glu-292 that are proposed for nucleophile, transition-state stabilizer, and general acid/base catalyst, respectively, govern the binding of the terminal fructose at the -1 subsite and the catalytic reaction. Mutants D60A, D191A, and E292A completely lost their activities. Residues Ile-143, Arg-190, Glu-292, Glu-318, and His-332 combine the hydrophobic Phe-118 and Tyr-369 to define the +1 subsite for its preference of fructosyl and glucosyl moieties. Ile-143 and Gln-327 define the +2 subsite for raffinose, whereas Tyr-404 and Glu-405 define the +2 and +3 subsites for inulin-type substrates with higher structural flexibilities. Structural geometries of 1-kestose, nystose and raffinose are different from previous data. All results shed light on the catalytic mechanism and substrate recognition of AjFT and other clan GH-J fructosyltransferases.

Intramolecular binding of a ligand with an alkyl link, (-CH(2))(3), covalently bound to a residue near the active site of the protein forms a novel steroid-sensing model. A genetically engineered big up tri, open(5)-3-ketosteroid isomerase (KSI) was designed to conjugate uniquely with this ligand at its Cys-86 through the formation of a disulfide bond. The steady-state protein-ligand binding, mediated by hydrophobic interactions, was confirmed with fluorescence spectra, and the fluorophore-labeled peptide sequence was identified with tandem mass spectra. A comparison of steady-state fluorescence spectra of various fluorophore-labeled KSI mutants reveals that the emission characteristics vary with environmental factors. An evaluation of the decay of the fluorescence anisotropy of the fluorophore indicates the existence of an intramolecular protein-ligand binding interaction. The measurement of time-resolved fluorescence anisotropy of various protein-ligand complexes yielded values of anisotropy decay representing the degrees of freedom of the fluorophore related to its location, inside or outside the steroid-binding domain. When 19-norandrostenedione (19-NA) was added to this protein-ligand system, competitive binding between the ligand and the steroid was observed; this finding confirms the feasibility of the design of steroid detection with engineered KSI. On integration of this protein-ligand system with a silicon-based nanodevice (a p-type field-effect transistor with an ultrathin body), a noncharged steroid, 19-NA, became detectable at a micromolar level ( Biosens. Bioelectron. 2008 , 23 , 1883 ).

We report a mid-infrared, CW singly resonant optical parametric oscillator (OPO) with a thermally induced waveguide in its gain crystal. We measured a numerical aperture of 0.0062 for the waveguide at 80-W intracavity power at 3.2 microm. This thermal-guiding effect benefits to the stable operation of an OPO and improves the parametric conversion efficiency by more than a factor of two when compared with that without thermal guiding.