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Description

Previous proof-of-concept measurements on single-layer two-dimensional membrane-protein crystals performed at X-ray free-electron lasers (FELs) have demonstrated that the collection of meaningful diffraction patterns, which is not possible at synchrotrons because of radiation-damage issues, is feasible. Here, the results obtained from the analysis of a thousand single-shot, room-temperature X-ray FEL diffraction

Previous proof-of-concept measurements on single-layer two-dimensional membrane-protein crystals performed at X-ray free-electron lasers (FELs) have demonstrated that the collection of meaningful diffraction patterns, which is not possible at synchrotrons because of radiation-damage issues, is feasible. Here, the results obtained from the analysis of a thousand single-shot, room-temperature X-ray FEL diffraction images from two-dimensional crystals of a bacteriorhodopsin mutant are reported in detail. The high redundancy in the measurements boosts the intensity signal-to-noise ratio, so that the values of the diffracted intensities can be reliably determined down to the detector-edge resolution of 4 Å. The results show that two-dimensional serial crystallography at X-ray FELs is a suitable method to study membrane proteins to near-atomic length scales at ambient temperature. The method presented here can be extended to pump–probe studies of optically triggered structural changes on submillisecond timescales in two-dimensional crystals, which allow functionally relevant large-scale motions that may be quenched in three-dimensional crystals.

ContributorsCasadei, Cecilia M. (Author) / Tsai, Ching-Ju (Author) / Barty, Anton (Author) / Hunter, Mark S. (Author) / Zatsepin, Nadia (Author) / Padeste, Celestino (Author) / Capitani, Guido (Author) / Benner, W. Henry (Author) / Boutet, Sebastien (Author) / Hau-Riege, Stefan P. (Author) / Kupitz, Christopher (Author) / Messerschmidt, Marc (Author) / Ogren, John I. (Author) / Pardini, Tom (Author) / Rothschild, Kenneth J. (Author) / Sala, Leonardo (Author) / Segelke, Brent (Author) / Williams, Garth J. (Author) / Evans, James E. (Author) / Li, Xiao-Dan (Author) / Coleman, Matthew (Author) / Pedrini, Bill (Author) / Frank, Matthias (Author) / College of Liberal Arts and Sciences (Contributor)
Created2018-01
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Description

It has been suggested that the extended intensity profiles surrounding Bragg reflections that arise when a series of finite crystals of varying size and shape are illuminated by the intense, coherent illumination of an x-ray free-electron laser may enable the crystal’s unit-cell electron density to be obtained ab initio via

It has been suggested that the extended intensity profiles surrounding Bragg reflections that arise when a series of finite crystals of varying size and shape are illuminated by the intense, coherent illumination of an x-ray free-electron laser may enable the crystal’s unit-cell electron density to be obtained ab initio via well-established iterative phasing algorithms. Such a technique could have a significant impact on the field of biological structure determination since it avoids the need for a priori information from similar known structures, multiple measurements near resonant atomic absorption energies, isomorphic derivative crystals, or atomic-resolution data. Here, we demonstrate this phasing technique on diffraction patterns recorded from artificial two-dimensional microcrystals using the seeded soft x-ray free-electron laser FERMI. We show that the technique is effective when the illuminating wavefront has nonuniform phase and amplitude, and when the diffraction intensities cannot be measured uniformly throughout reciprocal space because of a limited signal-to-noise ratio.

ContributorsKirian, Richard (Author) / Bean, Richard J. (Author) / Beyerlein, Kenneth R. (Author) / Barthelmess, Miriam (Author) / Yoon, Chun Hong (Author) / Wang, Fenglin (Author) / Capotondi, Flavio (Author) / Pedersoli, Emanuele (Author) / Barty, Anton (Author) / Chapman, Henry N. (Author) / College of Liberal Arts and Sciences (Contributor)
Created2015-02-12
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Description

The urban heat island (UHI) phenomenon is a significant worldwide problem caused by rapid population growth and associated urbanization. The UHI effect exacerbates heat waves during the summer, increases energy and water consumption, and causes the high risk of heat-related morbidity and mortality. UHI mitigation efforts have increasingly relied on

The urban heat island (UHI) phenomenon is a significant worldwide problem caused by rapid population growth and associated urbanization. The UHI effect exacerbates heat waves during the summer, increases energy and water consumption, and causes the high risk of heat-related morbidity and mortality. UHI mitigation efforts have increasingly relied on wisely designing the urban residential environment such as using high albedo rooftops, green rooftops, and planting trees and shrubs to provide canopy coverage and shading. Thus, strategically designed residential rooftops and their surrounding landscaping have the potential to translate into significant energy, long-term cost savings, and health benefits. Rooftop albedo, material, color, area, slope, height, aspect and nearby landscaping are factors that potentially contribute. To extract, derive, and analyze these rooftop parameters and outdoor landscaping information, high resolution optical satellite imagery, LIDAR (light detection and ranging) point clouds and thermal imagery are necessary. Using data from the City of Tempe AZ (a 2010 population of 160,000 people), we extracted residential rooftop footprints and rooftop configuration parameters from airborne LIDAR point clouds and QuickBird satellite imagery (2.4 m spatial resolution imagery). Those parameters were analyzed against surface temperature data from the MODIS/ASTER airborne simulator (MASTER). MASTER images provided fine resolution (7 m) surface temperature data for residential areas during daytime and night time. Utilizing these data, ordinary least squares (OLS) regression was used to evaluate the relationships between residential building rooftops and their surface temperature in urban environment. The results showed that daytime rooftop temperature was closely related to rooftop spectral attributes, aspect, slope, and surrounding trees. Night time temperature was only influenced by rooftop spectral attributes and slope.

ContributorsZhao, Qunshan (Author) / Myint, Soe (Author) / Wentz, Elizabeth (Author) / Fan, Chao (Author) / College of Liberal Arts and Sciences (Contributor)
Created2015-09-18
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Description

This study examines the spatial and temporal patterns of the surface urban heat island (SUHI) intensity in the Phoenix metropolitan area and the relationship with land use land cover (LULC) change between 2000 and 2014. The objective is to identify specific regions in Phoenix that have been increasingly heated and

This study examines the spatial and temporal patterns of the surface urban heat island (SUHI) intensity in the Phoenix metropolitan area and the relationship with land use land cover (LULC) change between 2000 and 2014. The objective is to identify specific regions in Phoenix that have been increasingly heated and cooled to further understand how LULC change influences the SUHI intensity. The data employed include MODerate-resolution Imaging Spectroradiometer (MODIS) land surface temperature (LST) 8-day composite June imagery, and classified LULC maps generated using 2000 and 2014 Landsat imagery. Results show that the regions that experienced the most significant LST changes during the study period are primarily on the outskirts of the Phoenix metropolitan area for both daytime and nighttime. The conversion to urban, residential, and impervious surfaces from all other LULC types has been identified as the primary cause of the UHI effect in Phoenix. Vegetation cover has been shown to significantly lower LST for both daytime and nighttime due to its strong cooling effect by producing more latent heat flux and less sensible heat flux. We suggest that urban planners, decision-makers, and city managers formulate new policies and regulations that encourage residential, commercial, and industrial developers to include more vegetation when planning new construction.

ContributorsWang, Chuyuan (Author) / Myint, Soe (Author) / Wang, Zhi-Hua (Author) / Song, Jiyun (Author) / College of Liberal Arts and Sciences (Contributor)
Created2016-02-26
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Description

This paper reviews how remotely sensed data have been used to understand the impact of urbanization on global environmental change. We describe how these studies can support the policy and science communities’ increasing need for detailed and up-to-date information on the multiple dimensions of cities, including their social, biological, physical,

This paper reviews how remotely sensed data have been used to understand the impact of urbanization on global environmental change. We describe how these studies can support the policy and science communities’ increasing need for detailed and up-to-date information on the multiple dimensions of cities, including their social, biological, physical, and infrastructural characteristics. Because the interactions between urban and surrounding areas are complex, a synoptic and spatial view offered from remote sensing is integral to measuring, modeling, and understanding these relationships. Here we focus on three themes in urban remote sensing science: mapping, indices, and modeling. For mapping we describe the data sources, methods, and limitations of mapping urban boundaries, land use and land cover, population, temperature, and air quality. Second, we described how spectral information is manipulated to create comparative biophysical, social, and spatial indices of the urban environment. Finally, we focus how the mapped information and indices are used as inputs or parameters in models that measure changes in climate, hydrology, land use, and economics.

ContributorsWentz, Elizabeth (Author) / Anderson, Sharolyn (Author) / Fragkias, Michail (Author) / Netzband, Maik (Author) / Mesev, Victor (Author) / Myint, Soe (Author) / Quattrochi, Dale (Author) / Rahman, Atiqur (Author) / Seto, Karen C. (Author) / College of Liberal Arts and Sciences (Contributor)
Created2014-04-30
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Description

Deforestation in Myanmar has recently attracted much attention worldwide. This study examined spatio-temporal patterns of deforestation and forest carbon flux in Myanmar from 2001 to 2010 and environmental impacts at the regional scale using land products of the Moderate Resolution Imaging Spectroradiometer (MODIS). The results suggest that the total deforestation

Deforestation in Myanmar has recently attracted much attention worldwide. This study examined spatio-temporal patterns of deforestation and forest carbon flux in Myanmar from 2001 to 2010 and environmental impacts at the regional scale using land products of the Moderate Resolution Imaging Spectroradiometer (MODIS). The results suggest that the total deforestation area in Myanmar was 21,178.8 km2, with an annual deforestation rate of 0.81%, and that the total forest carbon release was 20.06 million tons, with an annual rate of 0.37%. Mangrove forests had the highest deforestation and carbon release rates, and deciduous forests had both the largest deforestation area and largest amount of carbon release. During the study period, the south and southwestern regions of Myanmar, especially Ayeyarwady and Rakhine, were deforestation hotspots (i.e., the highest deforestation and carbon release rates occurred in these regions). Deforestation caused significant carbon release, reduced evapotranspiration (ET), and increased land surface temperatures (LSTs) in deforested areas in Myanmar during the study period. Constructive policy recommendations are put forward based on these research results.

ContributorsWang, Chuyuan (Author) / Myint, Soe (Author) / College of Liberal Arts and Sciences (Contributor)
Created2016-09-02
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Description

The electronic band structure of MoS2, MoSe2, WS2, and WSe2, crystals has been studied at various hydrostatic pressures experimentally by photoreflectance (PR) spectroscopy and theoretically within the density functional theory (DFT). In the PR spectra direct optical transitions (A and B) have been clearly observed and pressure coefficients have been

The electronic band structure of MoS2, MoSe2, WS2, and WSe2, crystals has been studied at various hydrostatic pressures experimentally by photoreflectance (PR) spectroscopy and theoretically within the density functional theory (DFT). In the PR spectra direct optical transitions (A and B) have been clearly observed and pressure coefficients have been determined for these transitions to be: αA = 2.0 ± 0.1 and αB = 3.6 ± 0.1 meV/kbar for MoS2, αA = 2.3 ± 0.1 and αB = 4.0 ± 0.1 meV/kbar for MoSe2, αA = 2.6 ± 0.1 and αB = 4.1 ± 0.1 meV/kbar for WS2, αA = 3.4 ± 0.1 and αB = 5.0 ± 0.5 meV/kbar for WSe2. It has been found that these coefficients are in an excellent agreement with theoretical predictions. In addition, a comparative study of different computational DFT approaches has been performed and analyzed. For indirect gap the pressure coefficient have been determined theoretically to be −7.9, −5.51, −6.11, and −3.79, meV/kbar for MoS2, MoSe2, WS2, and WSe2, respectively. The negative values of this coefficients imply a narrowing of the fundamental band gap with the increase in hydrostatic pressure and a semiconductor to metal transition for MoS2, MoSe2, WS2, and WSe2, crystals at around 140, 180, 190, and 240 kbar, respectively.

ContributorsDybala, F. (Author) / Polak, M. P. (Author) / Kopaczek, J. (Author) / Scharoch, P. (Author) / Wu, Kedi (Author) / Tongay, Sefaattin (Author) / Kudrawiec, R. (Author) / Ira A. Fulton Schools of Engineering (Contributor)
Created2016-05-24
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Description

We describe the deposition of four datasets consisting of X-ray diffraction images acquired using serial femtosecond crystallography experiments on microcrystals of human G protein-coupled receptors, grown and delivered in lipidic cubic phase, at the Linac Coherent Light Source. The receptors are: the human serotonin receptor 2B in complex with an

We describe the deposition of four datasets consisting of X-ray diffraction images acquired using serial femtosecond crystallography experiments on microcrystals of human G protein-coupled receptors, grown and delivered in lipidic cubic phase, at the Linac Coherent Light Source. The receptors are: the human serotonin receptor 2B in complex with an agonist ergotamine, the human δ-opioid receptor in complex with a bi-functional peptide ligand DIPP-NH2, the human smoothened receptor in complex with an antagonist cyclopamine, and finally the human angiotensin II type 1 receptor in complex with the selective antagonist ZD7155. All four datasets have been deposited, with minimal processing, in an HDF5-based file format, which can be used directly for crystallographic processing with CrystFEL or other software. We have provided processing scripts and supporting files for recent versions of CrystFEL, which can be used to validate the data.

ContributorsWhite, Thomas A. (Author) / Barty, Anton (Author) / Liu, Wei (Author) / Ishchenko, Andrii (Author) / Zhang, Haitao (Author) / Gati, Cornelius (Author) / Zatsepin, Nadia (Author) / Basu, Shibom (Author) / Oberthur, Dominik (Author) / Metz, Markus (Author) / Beyerlein, Kenneth R. (Author) / Yoon, Chun Hong (Author) / Yefanov, Oleksandr M. (Author) / James, Daniel (Author) / Wang, Dingjie (Author) / Messerschmidt, Marc (Author) / Koglin, Jason E. (Author) / Boutet, Sebastien (Author) / Weierstall, Uwe (Author) / Cherezov, Vadim (Author) / College of Liberal Arts and Sciences (Contributor)
Created2016-08-01
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Description

Binary transition metal dichalcogenide monolayers share common properties such as a direct optical bandgap, spin-orbit splittings of hundreds of meV, light–matter interaction dominated by robust excitons and coupled spin-valley states. Here we demonstrate spin-orbit-engineering in Mo[(1-x)]WxSe2 alloy monolayers for optoelectronics and applications based on spin- and valley-control. We probe the

Binary transition metal dichalcogenide monolayers share common properties such as a direct optical bandgap, spin-orbit splittings of hundreds of meV, light–matter interaction dominated by robust excitons and coupled spin-valley states. Here we demonstrate spin-orbit-engineering in Mo[(1-x)]WxSe2 alloy monolayers for optoelectronics and applications based on spin- and valley-control. We probe the impact of the tuning of the conduction band spin-orbit spin-splitting on the bright versus dark exciton population. For MoSe2 monolayers, the photoluminescence intensity decreases as a function of temperature by an order of magnitude (4–300 K), whereas for WSe2 we measure surprisingly an order of magnitude increase. The ternary material shows a trend between these two extreme behaviors. We also show a non-linear increase of the valley polarization as a function of tungsten concentration, where 40% tungsten incorporation is sufficient to achieve valley polarization as high as in binary WSe2.

ContributorsWang, Gang (Author) / Robert, Cedric (Author) / Tuna, Aslihan (Author) / Chen, Bin (Author) / Yang, Sijie (Author) / Alamdari, Sarah (Author) / Gerber, Iann C. (Author) / Amand, Thierry (Author) / Marie, Xavier (Author) / Tongay, Sefaattin (Author) / Urbaszek, Bernhard (Author) / Ira A. Fulton Schools of Engineering (Contributor)
Created2015-12-14
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Description

We present two-dimensional Mg(OH)2 sheets and their vertical heterojunctions with CVD-MoS2 for the first time as flexible 2D insulators with anomalous lattice vibration and chemical and physical properties. New hydrothermal crystal growth technique enabled isolation of environmentally stable monolayer Mg(OH)2 sheets. Raman spectroscopy and vibrational calculations reveal that the lattice

We present two-dimensional Mg(OH)2 sheets and their vertical heterojunctions with CVD-MoS2 for the first time as flexible 2D insulators with anomalous lattice vibration and chemical and physical properties. New hydrothermal crystal growth technique enabled isolation of environmentally stable monolayer Mg(OH)2 sheets. Raman spectroscopy and vibrational calculations reveal that the lattice vibrations of Mg(OH)2 have fundamentally different signature peaks and dimensionality effects compared to other 2D material systems known to date. Sub-wavelength electron energy-loss spectroscopy measurements and theoretical calculations show that Mg(OH)2 is a 6 eV direct-gap insulator in 2D, and its optical band gap displays strong band renormalization effects from monolayer to bulk, marking the first experimental confirmation of confinement effects in 2D insulators. Interestingly, 2D-Mg(OH)2 sheets possess rather strong surface polarization (charge) effects which is in contrast to electrically neutral h-BN materials. Using 2D-Mg(OH)2 sheets together with CVD-MoS2 in the vertical stacking shows that a strong change transfer occurs from n-doped CVD-MoS2 sheets to Mg(OH)2, naturally depleting the semiconductor, pushing towards intrinsic doping limit and enhancing overall optical performance of 2D semiconductors. Results not only establish unusual confinement effects in 2D-Mg(OH)2, but also offer novel 2D-insulating material with unique physical, vibrational, and chemical properties for potential applications in flexible optoelectronics.

ContributorsTuna, Aslihan (Author) / Wu, Kedi (Author) / Sahin, Hasan (Author) / Chen, Bin (Author) / Yang, Sijie (Author) / Cai, Hui (Author) / Aoki, Toshihiro (Author) / Horzum, Seyda (Author) / Kang, Jun (Author) / Peeters, Francois M. (Author) / Tongay, Sefaattin (Author) / Ira A. Fulton Schools of Engineering (Contributor)
Created2016-02-05