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  1. Article ; Online: Microstructure and crystal order during freezing of supercooled water drops.

    Kalita, Armin / Mrozek-McCourt, Maximillian / Kaldawi, Thomas F / Willmott, Philip R / Loh, N Duane / Marte, Sebastian / Sierra, Raymond G / Laksmono, Hartawan / Koglin, Jason E / Hayes, Matt J / Paul, Robert H / Guillet, Serge A H / Aquila, Andrew L / Liang, Mengning / Boutet, Sébastien / Stan, Claudiu A

    Nature

    2023  Volume 620, Issue 7974, Page(s) 557–561

    Abstract: Supercooled water droplets are widely used to study supercooled ... ...

    Abstract Supercooled water droplets are widely used to study supercooled water
    Language English
    Publishing date 2023-08-16
    Publishing country England
    Document type Journal Article
    ZDB-ID 120714-3
    ISSN 1476-4687 ; 0028-0836
    ISSN (online) 1476-4687
    ISSN 0028-0836
    DOI 10.1038/s41586-023-06283-2
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Methanol nucleation in a supersonic nozzle.

    Laksmono, Hartawan / Tanimura, Shinobu / Wyslouzil, Barbara E

    The Journal of chemical physics

    2011  Volume 135, Issue 7, Page(s) 74305

    Abstract: We determined the partial pressures p(Jmax), temperatures T(Jmax), monomer supersaturations S(Jmax), and characteristic times Δt(Jmax ) corresponding to the maximum nucleation rates of methanol in a supersonic nozzle. We found that T(Jmax) increased from ...

    Abstract We determined the partial pressures p(Jmax), temperatures T(Jmax), monomer supersaturations S(Jmax), and characteristic times Δt(Jmax ) corresponding to the maximum nucleation rates of methanol in a supersonic nozzle. We found that T(Jmax) increased from 202.2 K to 223.7 K as p(Jmax) increased from 67.1 to 413.2 Pa, while the maximum nucleation rate J(max) changed by less than a factor of 4 over the measurement range. Our nucleation rates appear reasonably consistent with measurements in other devices and are within one order of magnitude of the nucleation rates predicted by classical nucleation theory.
    Language English
    Publishing date 2011-08-21
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/1.3624756
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: A cryogenic supersonic nozzle apparatus to study homogeneous nucleation of Ar and other simple molecules.

    Sinha, Somnath / Laksmono, Hartawan / Wyslouzil, Barbara E

    The Review of scientific instruments

    2008  Volume 79, Issue 11, Page(s) 114101

    Abstract: We present a supersonic nozzle apparatus to study homogeneous nucleation of argon and other simple molecules. Experiments can be conducted with pure condensable vapor or with condensable vapor-carrier gas mixtures. The flow through the nozzle is ... ...

    Abstract We present a supersonic nozzle apparatus to study homogeneous nucleation of argon and other simple molecules. Experiments can be conducted with pure condensable vapor or with condensable vapor-carrier gas mixtures. The flow through the nozzle is continuous, and expansions typically start at temperatures T(0) in the range of 100<T(0)/K<120, and pressures p(0) in the range of 30<p(0)/kPa<36. The gas mixture is cooled using a tube and fin heat exchanger by evaporating liquid nitrogen on the tube side. The nozzle sidewalls are also cooled with liquid nitrogen to maintain them at a temperature approximately 20 K higher than the stagnation temperature. Static pressure measurements detect the onset of condensation, and the other properties of the flow are derived by integrating the diabatic flow equations. We present sample experimental results for pure argon where at the onset of condensation, temperatures T(on) range from 47.5<T(on)/K<49.5 and pressures p(on) range from 4.2<p(on)/kPa<4.9.<br />
    Language English
    Publishing date 2008-11
    Publishing country United States
    Document type Journal Article
    ZDB-ID 209865-9
    ISSN 1089-7623 ; 0034-6748
    ISSN (online) 1089-7623
    ISSN 0034-6748
    DOI 10.1063/1.3006002
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Argon nucleation in a cryogenic supersonic nozzle.

    Sinha, Somnath / Bhabhe, Ashutosh / Laksmono, Hartawan / Wölk, Judith / Strey, Reinhard / Wyslouzil, Barbara

    The Journal of chemical physics

    2010  Volume 132, Issue 6, Page(s) 64304

    Abstract: We have measured pressures p and temperatures T corresponding to the maximum nucleation rate of argon in a cryogenic supersonic nozzle apparatus where the estimated nucleation rates are J=10(17+/-1) cm(-3) s(-1). As T increases from 34 to 53 K, p ... ...

    Abstract We have measured pressures p and temperatures T corresponding to the maximum nucleation rate of argon in a cryogenic supersonic nozzle apparatus where the estimated nucleation rates are J=10(17+/-1) cm(-3) s(-1). As T increases from 34 to 53 K, p increases from 0.47 to 8 kPa. Under these conditions, classical nucleation theory predicts nucleation rates of 11-13 orders of magnitude lower than the observed rates while mean field kinetic nucleation theory predicts the observed rates within 1 order of magnitude. The current data set appears consistent with the measurements of Iland et al. [J. Chem. Phys. 127, 154506 (2007)] in the cryogenic nucleation pulse chamber. Combining the two data sets suggests that classical nucleation theory fails because it overestimates both the critical cluster size and the excess internal energy of the critical clusters.
    Language English
    Publishing date 2010-02-14
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/1.3299273
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: How Cubic Can Ice Be?

    Amaya, Andrew J / Pathak, Harshad / Modak, Viraj P / Laksmono, Hartawan / Loh, N Duane / Sellberg, Jonas A / Sierra, Raymond G / McQueen, Trevor A / Hayes, Matt J / Williams, Garth J / Messerschmidt, Marc / Boutet, Sébastien / Bogan, Michael J / Nilsson, Anders / Stan, Claudiu A / Wyslouzil, Barbara E

    The journal of physical chemistry letters

    2017  Volume 8, Issue 14, Page(s) 3216–3222

    Abstract: Using an X-ray laser, we investigated the crystal structure of ice formed by homogeneous ice nucleation in deeply supercooled water nanodrops (r ≈ 10 nm) at ∼225 K. The nanodrops were formed by condensation of vapor in a supersonic nozzle, and the ice ... ...

    Abstract Using an X-ray laser, we investigated the crystal structure of ice formed by homogeneous ice nucleation in deeply supercooled water nanodrops (r ≈ 10 nm) at ∼225 K. The nanodrops were formed by condensation of vapor in a supersonic nozzle, and the ice was probed within 100 μs of freezing using femtosecond wide-angle X-ray scattering at the Linac Coherent Light Source free-electron X-ray laser. The X-ray diffraction spectra indicate that this ice has a metastable, predominantly cubic structure; the shape of the first ice diffraction peak suggests stacking-disordered ice with a cubicity value, χ, in the range of 0.78 ± 0.05. The cubicity value determined here is higher than those determined in experiments with micron-sized drops but comparable to those found in molecular dynamics simulations. The high cubicity is most likely caused by the extremely low freezing temperatures and by the rapid freezing, which occurs on a ∼1 μs time scale in single nanodroplets.
    Language English
    Publishing date 2017-07-20
    Publishing country United States
    Document type Journal Article
    ISSN 1948-7185
    ISSN (online) 1948-7185
    DOI 10.1021/acs.jpclett.7b01142
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Goniometer-based femtosecond X-ray diffraction of mutant 30S ribosomal subunit crystals.

    Dao, E Han / Sierra, Raymond G / Laksmono, Hartawan / Lemke, Henrik T / Alonso-Mori, Roberto / Coey, Aaron / Larsen, Kevin / Baxter, Elizabeth L / Cohen, Aina E / Soltis, S Michael / DeMirci, Hasan

    Structural dynamics (Melville, N.Y.)

    2015  Volume 2, Issue 4, Page(s) 41706

    Abstract: In this work, we collected radiation-damage-free data from a set of cryo-cooled crystals for a novel 30S ribosomal subunit mutant using goniometer-based femtosecond crystallography. Crystal quality assessment for these samples was conducted at the X-ray ... ...

    Abstract In this work, we collected radiation-damage-free data from a set of cryo-cooled crystals for a novel 30S ribosomal subunit mutant using goniometer-based femtosecond crystallography. Crystal quality assessment for these samples was conducted at the X-ray Pump Probe end-station of the Linac Coherent Light Source (LCLS) using recently introduced goniometer-based instrumentation. These 30S subunit crystals were genetically engineered to omit a 26-residue protein, Thx, which is present in the wild-type Thermus thermophilus 30S ribosomal subunit. We are primarily interested in elucidating the contribution of this ribosomal protein to the overall 30S subunit structure. To assess the viability of this study, femtosecond X-ray diffraction patterns from these crystals were recorded at the LCLS during a protein crystal screening beam time. During our data collection, we successfully observed diffraction from these difficult-to-grow 30S ribosomal subunit crystals. Most of our crystals were found to diffract to low resolution, while one crystal diffracted to 3.2 Å resolution. These data suggest the feasibility of pursuing high-resolution data collection as well as the need to improve sample preparation and handling in order to collect a complete radiation-damage-free data set using an X-ray Free Electron Laser.
    Language English
    Publishing date 2015-04-30
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2758684-4
    ISSN 2329-7778
    ISSN 2329-7778
    DOI 10.1063/1.4919407
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Methods development for diffraction and spectroscopy studies of metalloenzymes at X-ray free-electron lasers.

    Kern, Jan / Hattne, Johan / Tran, Rosalie / Alonso-Mori, Roberto / Laksmono, Hartawan / Gul, Sheraz / Sierra, Raymond G / Rehanek, Jens / Erko, Alexei / Mitzner, Rolf / Wernet, Phillip / Bergmann, Uwe / Sauter, Nicholas K / Yachandra, Vittal / Yano, Junko

    Philosophical transactions of the Royal Society of London. Series B, Biological sciences

    2014  Volume 369, Issue 1647, Page(s) 20130590

    Abstract: X-ray free-electron lasers (XFELs) open up new possibilities for X-ray crystallographic and spectroscopic studies of radiation-sensitive biological samples under close to physiological conditions. To facilitate these new X-ray sources, tailored ... ...

    Abstract X-ray free-electron lasers (XFELs) open up new possibilities for X-ray crystallographic and spectroscopic studies of radiation-sensitive biological samples under close to physiological conditions. To facilitate these new X-ray sources, tailored experimental methods and data-processing protocols have to be developed. The highly radiation-sensitive photosystem II (PSII) protein complex is a prime target for XFEL experiments aiming to study the mechanism of light-induced water oxidation taking place at a Mn cluster in this complex. We developed a set of tools for the study of PSII at XFELs, including a new liquid jet based on electrofocusing, an energy dispersive von Hamos X-ray emission spectrometer for the hard X-ray range and a high-throughput soft X-ray spectrometer based on a reflection zone plate. While our immediate focus is on PSII, the methods we describe here are applicable to a wide range of metalloenzymes. These experimental developments were complemented by a new software suite, cctbx.xfel. This software suite allows for near-real-time monitoring of the experimental parameters and detector signals and the detailed analysis of the diffraction and spectroscopy data collected by us at the Linac Coherent Light Source, taking into account the specific characteristics of data measured at an XFEL.
    MeSH term(s) Electrons ; Lasers ; Manganese Compounds/chemistry ; Photosystem II Protein Complex/chemistry ; Software ; Spectrometry, X-Ray Emission/methods ; X-Ray Diffraction/methods
    Chemical Substances Manganese Compounds ; Photosystem II Protein Complex
    Language English
    Publishing date 2014-06-09
    Publishing country England
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S. ; Review
    ZDB-ID 208382-6
    ISSN 1471-2970 ; 0080-4622 ; 0264-3839 ; 0962-8436
    ISSN (online) 1471-2970
    ISSN 0080-4622 ; 0264-3839 ; 0962-8436
    DOI 10.1098/rstb.2013.0590
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  8. Article ; Online: Monomer, clusters, liquid: an integrated spectroscopic study of methanol condensation.

    Laksmono, Hartawan / Tanimura, Shinobu / Allen, Heather C / Wilemski, Gerald / Zahniser, Mark S / Shorter, Joanne H / Nelson, David D / McManus, J Barry / Wyslouzil, Barbara E

    Physical chemistry chemical physics : PCCP

    2011  Volume 13, Issue 13, Page(s) 5855–5871

    Abstract: We have combined static pressure, spectroscopic temperature, Fourier transform infrared spectroscopy (FTIR), and small angle X-ray scattering (SAXS) measurements to develop a detailed picture of methanol condensing from a dilute vapor-carrier gas mixture ...

    Abstract We have combined static pressure, spectroscopic temperature, Fourier transform infrared spectroscopy (FTIR), and small angle X-ray scattering (SAXS) measurements to develop a detailed picture of methanol condensing from a dilute vapor-carrier gas mixture under the highly supersaturated conditions present in a supersonic nozzle. In our experiments, methanol condensation can be divided into three stages as the gas mixture expands in the nozzle. In the first stage, as the temperature decreases rapidly, small methanol n-mers (clusters) form, increase in concentration, and evolve in size. In the second stage, the temperature decreases more slowly, and the n-mer concentrations continue to rise. Thermodynamic and FTIR experiments cannot, however, definitively establish if the average cluster size is constant or if it continues to increase. Finally, when the vapor becomes supersaturated enough, liquid droplets form via nucleation and growth, consuming more monomer and reducing the concentration of clusters. At the point where liquid first appears, cluster formation has already consumed up to 30% of the monomer. This is significantly more than is predicted by a model that describes the vapor phase as an equilibrium mixture of methanol monomer, dimer, and tetramer. An energy balance suggests that a significant fraction of the cluster population is larger than the tetramer, while preliminary SAXS measurements suggest that these clusters contain, on average, 6 monomers.
    Language English
    Publishing date 2011-04-07
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/c0cp02485f
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Serial femtosecond X-ray diffraction of 30S ribosomal subunit microcrystals in liquid suspension at ambient temperature using an X-ray free-electron laser.

    Demirci, Hasan / Sierra, Raymond G / Laksmono, Hartawan / Shoeman, Robert L / Botha, Sabine / Barends, Thomas R M / Nass, Karol / Schlichting, Ilme / Doak, R Bruce / Gati, Cornelius / Williams, Garth J / Boutet, Sébastien / Messerschmidt, Marc / Jogl, Gerwald / Dahlberg, Albert E / Gregory, Steven T / Bogan, Michael J

    Acta crystallographica. Section F, Structural biology and crystallization communications

    2013  Volume 69, Issue Pt 9, Page(s) 1066–1069

    Abstract: High-resolution ribosome structures determined by X-ray crystallography have provided important insights into the mechanism of translation. Such studies have thus far relied on large ribosome crystals kept at cryogenic temperatures to reduce radiation ... ...

    Abstract High-resolution ribosome structures determined by X-ray crystallography have provided important insights into the mechanism of translation. Such studies have thus far relied on large ribosome crystals kept at cryogenic temperatures to reduce radiation damage. Here, the application of serial femtosecond X-ray crystallography (SFX) using an X-ray free-electron laser (XFEL) to obtain diffraction data from ribosome microcrystals in liquid suspension at ambient temperature is described. 30S ribosomal subunit microcrystals diffracted to beyond 6 Å resolution, demonstrating the feasibility of using SFX for ribosome structural studies. The ability to collect diffraction data at near-physiological temperatures promises to provide fundamental insights into the structural dynamics of the ribosome and its functional complexes.
    MeSH term(s) Crystallization ; Crystallography, X-Ray ; Electrons ; Lasers ; Ribosome Subunits, Small, Bacterial/chemistry ; Ribosome Subunits, Small, Bacterial/ultrastructure ; Temperature ; Thermus thermophilus/chemistry ; X-Ray Diffraction
    Language English
    Publishing date 2013-08-19
    Publishing country England
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
    ISSN 1744-3091
    ISSN (online) 1744-3091
    DOI 10.1107/S174430911302099X
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Anomalous Behavior of the Homogeneous Ice Nucleation Rate in "No-Man's Land".

    Laksmono, Hartawan / McQueen, Trevor A / Sellberg, Jonas A / Loh, N Duane / Huang, Congcong / Schlesinger, Daniel / Sierra, Raymond G / Hampton, Christina Y / Nordlund, Dennis / Beye, Martin / Martin, Andrew V / Barty, Anton / Seibert, M Marvin / Messerschmidt, Marc / Williams, Garth J / Boutet, Sébastien / Amann-Winkel, Katrin / Loerting, Thomas / Pettersson, Lars G M /
    Bogan, Michael J / Nilsson, Anders

    The journal of physical chemistry letters

    2015  Volume 6, Issue 14, Page(s) 2826–2832

    Abstract: We present an analysis of ice nucleation kinetics from near-ambient pressure water as temperature decreases below the homogeneous ... ...

    Abstract We present an analysis of ice nucleation kinetics from near-ambient pressure water as temperature decreases below the homogeneous limit
    Language English
    Publishing date 2015-07-16
    Publishing country United States
    Document type Journal Article
    ISSN 1948-7185
    ISSN (online) 1948-7185
    DOI 10.1021/acs.jpclett.5b01164
    Database MEDical Literature Analysis and Retrieval System OnLINE

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