TY - JOUR A1 - Wilkin, Kyle J. A1 - Parrish, Robert M. A1 - Yang, Jie A1 - Wolf, Thomas J. A. A1 - Nunes, J. Pedro F. A1 - Gühr, Markus A1 - Li, Renkai A1 - Shen, Xiaozhe A1 - Zheng, Qiang A1 - Wang, Xijie A1 - Martinez, Todd J. A1 - Centurion, Martin T1 - Diffractive imaging of dissociation and ground-state dynamics in a complex molecule JF - Physical review : A, Atomic, molecular, and optical physics N2 - We have investigated the structural dynamics in photoexcited 1,2-diiodotetrafluoroethane molecules (C2F4I2) in the gas phase experimentally using ultrafast electron diffraction and theoretically using FOMO-CASCI excited-state dynamics simulations. The molecules are excited by an ultraviolet femtosecond laser pulse to a state characterized by a transition from the iodine 5p perpendicular to orbital to a mixed 5p parallel to sigma hole and CF2 center dot antibonding orbital, which results in the cleavage of one of the carbon-iodine bonds. We have observed, with sub-Angstrom resolution, the motion of the nuclear wave packet of the dissociating iodine atom followed by coherent vibrations in the electronic ground state of the C2F4I radical. The radical reaches a stable classical (nonbridged) structure in less than 200 fs. Y1 - 2019 U6 - https://doi.org/10.1103/PhysRevA.100.023402 SN - 2469-9926 SN - 2469-9934 VL - 100 IS - 2 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Huang, Hongshi A1 - Guo, Jianqiao A1 - Yang, Jie A1 - Jiang, Yanfang A1 - Yu, Yuanyuan A1 - Mueller, Steffen A1 - Ren, Gexue A1 - Ao, Yingfang T1 - Isokinetic angle-specific moments and ratios characterizing hamstring and quadriceps strength in anterior cruciate ligament deficient knees JF - Scientific reports N2 - This study is intended to find more effective and robust clinical diagnostic indices to characterize muscle strength and coordination alternation following anterior cruciate ligament (ACL) rupture. To evaluate angle-specific moments and hamstring (H)/quadriceps (Q) ratios, 46 male subjects with unilateral chronic ACL-rupture performed isokinetic concentric (c), eccentric (e) quadriceps and hamstring muscle tests respectively at 60 degrees/s. Normalized moments and H/Q ratios were calculated for peak moment (PM) and 30 degrees, 40 degrees, 50 degrees, 60 degrees, 70 degrees, 80 degrees knee flexion angles. Furthermore, we introduced single-to-arithmetic-mean (SAM) and single-to-root-mean-square (SRMS) muscle co-contraction ratios, calculating them for specific angles and different contraction repetitions. Normalized PM and 40 degrees specific concentric quadriceps, concentric hamstring strength in the ACL-deficient knee were reduced significantly (P <= 0.05). Concentric angle-specific moments together with Qe/Qc ratios at 40 degrees (d = 0.766 vs. d = 0.654) identify more obvious differences than peak values in ACL ruptured limbs. Furthermore, we found SRMS-QeQc deficits at 40 degrees showed stronger effect than Qe/Qc ratios (d = 0.918 vs. d = 0.766), albeit other ratio differences remained basically the same effect size as the original H/Q ratios. All the newly defined SAM and SRMS indices could decrease variance. Overall, 40 degrees knee moments and SAM/ SRMS ratios might be new potential diagnosis indices for ACL rupture detection. Y1 - 2017 U6 - https://doi.org/10.1038/s41598-017-06601-5 SN - 2045-2322 VL - 7 PB - Nature Publ. Group CY - London ER - TY - JOUR A1 - Yang, Jie A1 - Zhu, Xiaolei A1 - Wolf, Thomas J. A. A1 - Li, Zheng A1 - Nunes, João Pedro Figueira A1 - Coffee, Ryan A1 - Cryan, James P. A1 - Gühr, Markus A1 - Hegazy, Kareem A1 - Heinz, Tony F. A1 - Jobe, Keith A1 - Li, Renkai A1 - Shen, Xiaozhe A1 - Veccione, Theodore A1 - Weathersby, Stephen A1 - Wilkin, Kyle J. A1 - Yoneda, Charles A1 - Zheng, Qiang A1 - Martinez, Todd J. A1 - Centurion, Martin A1 - Wang, Xijie T1 - Imaging CF3I conical intersection and photodissociation dynamics with ultrafast electron diffraction JF - Science N2 - Conical intersections play a critical role in excited-state dynamics of polyatomic molecules because they govern the reaction pathways of many nonadiabatic processes. However, ultrafast probes have lacked sufficient spatial resolution to image wave-packet trajectories through these intersections directly. Here, we present the simultaneous experimental characterization of one-photon and two-photon excitation channels in isolated CF3I molecules using ultrafast gas-phase electron diffraction. In the two-photon channel, we have mapped out the real-space trajectories of a coherent nuclear wave packet, which bifurcates onto two potential energy surfaces when passing through a conical intersection. In the one-photon channel, we have resolved excitation of both the umbrella and the breathing vibrational modes in the CF3 fragment in multiple nuclear dimensions. These findings benchmark and validate ab initio nonadiabatic dynamics calculations. Y1 - 2018 U6 - https://doi.org/10.1126/science.aat0049 SN - 0036-8075 SN - 1095-9203 VL - 361 IS - 6397 SP - 64 EP - 67 PB - American Assoc. for the Advancement of Science CY - Washington ER - TY - JOUR A1 - Yang, Jie A1 - Gühr, Markus A1 - Vecchione, Theodore A1 - Robinson, Matthew Scott A1 - Li, Renkai A1 - Hartmann, Nick A1 - Shen, Xiaozhe A1 - Coffee, Ryan A1 - Corbett, Jeff A1 - Fry, Alan A1 - Gaffney, Kelly A1 - Gorkhover, Tais A1 - Hast, Carsten A1 - Jobe, Keith A1 - Makasyuk, Igor A1 - Reid, Alexander A1 - Robinson, Joseph A1 - Vetter, Sharon A1 - Wang, Fenglin A1 - Weathersby, Stephen A1 - Yoneda, Charles A1 - Centurion, Martin A1 - Wang, Xijie T1 - Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses JF - Nature Communications N2 - Imaging changes in molecular geometries on their natural femtosecond timescale with sub-Angstrom spatial precision is one of the critical challenges in the chemical sciences, as the nuclear geometry changes determine the molecular reactivity. For photoexcited molecules, the nuclear dynamics determine the photoenergy conversion path and efficiency. Here we report a gas-phase electron diffraction experiment using megaelectronvolt (MeV) electrons, where we captured the rotational wavepacket dynamics of nonadiabatically laser-aligned nitrogen molecules. We achieved a combination of 100 fs root-mean-squared temporal resolution and sub-Angstrom (0.76 angstrom) spatial resolution that makes it possible to resolve the position of the nuclei within the molecule. In addition, the diffraction patterns reveal the angular distribution of the molecules, which changes from prolate (aligned) to oblate (anti-aligned) in 300 fs. Our results demonstrate a significant and promising step towards making atomically resolved movies of molecular reactions. Y1 - 2016 U6 - https://doi.org/10.1038/ncomms11232 SN - 2041-1723 VL - 7 PB - Nature Publ. Group CY - London ER - TY - GEN A1 - Yang, Jie A1 - Guehr, Markus A1 - Vecchione, Theodore A1 - Robinson, Matthew Scott A1 - Li, Renkai A1 - Hartmann, Nick A1 - Shen, Xiaozhe A1 - Coffee, Ryan A1 - Corbett, Jeff A1 - Fry, Alan A1 - Gaffney, Kelly A1 - Gorkhover, Tais A1 - Hast, Carsten A1 - Jobe, Keith A1 - Makasyuk, Igor A1 - Reid, Alexander A1 - Robinson, Joseph A1 - Vetter, Sharon A1 - Wang, Fenglin A1 - Weathersby, Stephen A1 - Yoneda, Charles A1 - Wang, Xijie A1 - Centurion, Martin T1 - Femtosecond gas phase electron diffraction with MeV electrons N2 - We present results on ultrafast gas electron diffraction (UGED) experiments with femtosecond resolution using the MeV electron gun at SLAC National Accelerator Laboratory. UGED is a promising method to investigate molecular dynamics in the gas phase because electron pulses can probe the structure with a high spatial resolution. Until recently, however, it was not possible for UGED to reach the relevant timescale for the motion of the nuclei during a molecular reaction. Using MeV electron pulses has allowed us to overcome the main challenges in reaching femtosecond resolution, namely delivering short electron pulses on a gas target, overcoming the effect of velocity mismatch between pump laser pulses and the probe electron pulses, and maintaining a low timing jitter. At electron kinetic energies above 3 MeV, the velocity mismatch between laser and electron pulses becomes negligible. The relativistic electrons are also less susceptible to temporal broadening due to the Coulomb force. One of the challenges of diffraction with relativistic electrons is that the small de Broglie wavelength results in very small diffraction angles. In this paper we describe the new setup and its characterization, including capturing static diffraction patterns of molecules in the gas phase, finding time-zero with sub-picosecond accuracy and first time-resolved diffraction experiments. The new device can achieve a temporal resolution of 100 fs root-mean-square, and sub-angstrom spatial resolution. The collimation of the beam is sufficient to measure the diffraction pattern, and the transverse coherence is on the order of 2 nm. Currently, the temporal resolution is limited both by the pulse duration of the electron pulse on target and by the timing jitter, while the spatial resolution is limited by the average electron beam current and the signal-to-noise ratio of the detection system. We also discuss plans for improving both the temporal resolution and the spatial resolution. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 326 Y1 - 2016 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-394989 ER - TY - JOUR A1 - Yang, Jie A1 - Gühr, Markus A1 - Vecchione, Theodore A1 - Robinson, Matthew Scott A1 - Li, Renkai A1 - Hartmann, Nick A1 - Shen, Xiaozhe A1 - Coffee, Ryan A1 - Corbett, Jeff A1 - Fry, Alan A1 - Gaffney, Kelly A1 - Gorkhover, Tais A1 - Hast, Carsten A1 - Jobe, Keith A1 - Makasyuk, Igor A1 - Reid, Alexander A1 - Robinson, Joseph A1 - Vetter, Sharon A1 - Wang, Fenglin A1 - Weathersby, Stephen A1 - Yoneda, Charles A1 - Wang, Xijie A1 - Centurion, Martin T1 - Femtosecond gas phase electron diffraction with MeV electrons JF - Faraday discussions N2 - We present results on ultrafast gas electron diffraction (UGED) experiments with femtosecond resolution using the MeV electron gun at SLAC National Accelerator Laboratory. UGED is a promising method to investigate molecular dynamics in the gas phase because electron pulses can probe the structure with a high spatial resolution. Until recently, however, it was not possible for UGED to reach the relevant timescale for the motion of the nuclei during a molecular reaction. Using MeV electron pulses has allowed us to overcome the main challenges in reaching femtosecond resolution, namely delivering short electron pulses on a gas target, overcoming the effect of velocity mismatch between pump laser pulses and the probe electron pulses, and maintaining a low timing jitter. At electron kinetic energies above 3 MeV, the velocity mismatch between laser and electron pulses becomes negligible. The relativistic electrons are also less susceptible to temporal broadening due to the Coulomb force. One of the challenges of diffraction with relativistic electrons is that the small de Broglie wavelength results in very small diffraction angles. In this paper we describe the new setup and its characterization, including capturing static diffraction patterns of molecules in the gas phase, finding time-zero with sub-picosecond accuracy and first time-resolved diffraction experiments. The new device can achieve a temporal resolution of 100 fs root-mean-square, and sub-angstrom spatial resolution. The collimation of the beam is sufficient to measure the diffraction pattern, and the transverse coherence is on the order of 2 nm. Currently, the temporal resolution is limited both by the pulse duration of the electron pulse on target and by the timing jitter, while the spatial resolution is limited by the average electron beam current and the signal-to-noise ratio of the detection system. We also discuss plans for improving both the temporal resolution and the spatial resolution. Y1 - 2016 U6 - https://doi.org/10.1039/c6fd00071a SN - 1359-6640 SN - 1364-5498 VL - 194 SP - 563 EP - 581 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Yang, Jie A1 - Guehr, Markus A1 - Shen, Xiaozhe A1 - Li, Renkai A1 - Vecchione, Theodore A1 - Coffee, Ryan A1 - Corbett, Jeff A1 - Fry, Alan A1 - Hartmann, Nick A1 - Hast, Carsten A1 - Hegazy, Kareem A1 - Jobe, Keith A1 - Makasyuk, Igor A1 - Robinson, Joseph A1 - Robinson, Matthew Scott A1 - Vetter, Sharon A1 - Weathersby, Stephen A1 - Yoneda, Charles A1 - Wang, Xijie A1 - Centurion, Martin T1 - Diffractive Imaging of Coherent Nuclear Motion in Isolated Molecules JF - Physical review letters N2 - Observing the motion of the nuclear wave packets during a molecular reaction, in both space and time, is crucial for understanding and controlling the outcome of photoinduced chemical reactions. We have imaged the motion of a vibrational wave packet in isolated iodine molecules using ultrafast electron diffraction with relativistic electrons. The time-varying interatomic distance was measured with a precision 0.07 angstrom and temporal resolution of 230 fs full width at half maximum. The method is not only sensitive to the position but also the shape of the nuclear wave packet. Y1 - 2016 U6 - https://doi.org/10.1103/PhysRevLett.117.153002 SN - 0031-9007 SN - 1079-7114 VL - 117 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Sun, Sheng-Yun A1 - Huang, Jin A1 - Meng, Min-Jie A1 - Lu, Jia-Hai A1 - Hocher, Berthold A1 - Liu, Kang-Li A1 - Yang, Qin-He A1 - Zhu, Xiao-Feng T1 - Improvement of lipid profile and reduction of body weight by Shan He Jian Fei Granules in high fat diet-induced obese rats JF - Clinical laboratory : the peer reviewed journal for clinical laboratories and laboratories related to blood transfusion N2 - Background: The goal was to study lipid profiles (TG, TC, LDL, HDL), effects on serum leptin, and fat tissue adiponectin, and resistin as well as body weight effects of Shan He Jian Fei Granules (SHJFG) in rats on a high fat diet. Methods: Rats were randomly divided into five groups: normal control group fed with normal fat diet, rats on high fat diet receiving low dosage, middle dosage, high dosage of Shan He Jian Fei Granules (SHJFG) as well as a high fat diet group receiving placebo. Rats were treated for 8 weeks. Body weight and naso-anal length of each rat were recorded and Lee's index was calculated. Serum TG, TC, LDL, HDL and leptin concentrations were analyzed. The gene expressions of adiponectin and resistin in adipose tissues were tested by RT-PCR. Results: Compared to the high-fat diet group, body weights, Lee's indexes, weight of fat tissues and serum TG, TC, LDL and leptin of SHJFG groups significantly decreased (p<0.05), whereas mRNA expressions of adiponectin and resistin of SHJFG groups significantly increased (p<0.05). Conclusions: SHJFG could significantly lower body weight and serum TG, TC, and LDL of obese rats. The effects of SHJFG in lowering leptin synthesis and raising mRNA expression of adiponectin and resistin in fat tissues may act as part of the mechanisms in lowering body weight of obese rats. Further studies are needed to demonstrate whether SHJFG may also reduce overall cardiovascular morbidity and mortality like other lipid lowering drugs. KW - obesity KW - high-fat diet KW - Shan He Jian Fei Granules (SHJFG) KW - lipid KW - adiponectin KW - resistin KW - leptin Y1 - 2012 SN - 1433-6510 VL - 58 IS - 1-2 SP - 81 EP - 87 PB - Clin Lab Publ., Verl. Klinisches Labor CY - Heidelberg ER - TY - JOUR A1 - Bufe, Aaron A1 - Burbank, Douglas W. A1 - Liu, Langtao A1 - Bookhagen, Bodo A1 - Qin, Jintang A1 - Chen, Jie A1 - Li, Tao A1 - Jobe, Jessica Ann Thompson A1 - Yang, Huili T1 - Variations of Lateral Bedrock Erosion Rates Control Planation of Uplifting Folds in the Foreland of the Tian Shan, NW China JF - Journal of geophysical research : Earth surface N2 - Fluvial planation surfaces, such as straths, commonly serve as recorders of climatic and tectonic changes and are formed by the lateral erosion of rivers, a process that remains poorly understood. Here we present a study of kilometer-wide, fluvially eroded, low-relief surfaces on rapidly uplifting folds in the foreland of the southwestern Tian Shan. A combination of field work, digital elevation model analysis, and dating of fluvial deposits reveals that despite an arid climate and rapid average rock-uplift rates of 1-3mm/yr, rivers cut extensive (>1-2km wide) surfaces with typical height variations of <6m over periods of >2-6kyr. The extent of this beveling varies in space and time, such that different beveling episodes affect individual structures. Between times of planation, beveled surfaces are abandoned, incised, and deformed across the folds. In a challenge to models that link strath cutting and abandonment primarily to changes in river incision rates, we demonstrate that lateral erosion rates of antecedent streams crossing the folds have to vary by more than 1 order of magnitude to explain the creation of beveled platforms in the past and their incision at the present day. These variations do not appear to covary with climate variability and might be caused by relatively small (much less than an order of magnitude) changes in sediment or water fluxes. It remains uncertain in which settings variations in lateral bedrock erosion rates predominate over changes in vertical erosion rates. Therefore, when studying fluvial planation and strath terraces, variability of both lateral and vertical erosion rates should be considered. KW - strath terraces KW - lateral erosion KW - detachment folds KW - Quaternary geochronology Y1 - 2017 U6 - https://doi.org/10.1002/2016JF004099 SN - 2169-9003 SN - 2169-9011 VL - 122 SP - 2431 EP - 2467 PB - American Geophysical Union CY - Washington ER - TY - JOUR A1 - Thompson, Jessica A. A1 - Chen, Jie A1 - Yang, Huili A1 - Li, Tao A1 - Bookhagen, Bodo A1 - Burbank, Douglas T1 - Coarse- versus fine-grain quartz OSL and cosmogenic Be-10 dating of deformed fluvial terraces on the northeast Pamir margin, northwest China JF - Quaternary geochronology : the international research and review journal on advances in quaternary dating techniques N2 - Along the NE Pamir margin, flights of late Quaternary fluvial terraces span actively deforming fault-related folds. We present detailed results on two terraces dated using optically stimulated luminescence (OSL) and cosmogenic radionuclide Be-10 (CRN) techniques. Quartz OSL dating of two different grain sizes (4-11 mu m and 90-180 mu m) revealed the fine-grain quartz fraction may overestimate the terrace ages by up to a factor of ten. Two-mm, small-aliquot, coarse-grain quartz OSL ages, calculated using the minimum age model, yielded stratigraphically consistent ages within error and dated times of terrace deposition to similar to 9 and similar to 16 ka. We speculate that, in this arid environment, fine-grain samples can be transported and deposited in single, turbid, and (sometimes) night-time floods that prevent thorough bleaching and, thereby, can lead to relatively large residual OSL signals. In contrast, sand in the fluvial system is likely to have a much longer residence time during transport, thereby providing greater opportunities for thorough bleaching. CRN Be-10 depth profiles date the timing of terrace abandonment to similar to 8 and similar to 14 ka: ages that generally agree with the coarse-grain quartz OSL ages. Our new terrace age of similar to 13-14 ka is broadly consistent with other terraces in the region that indicate terrace deposition and subsequent abandonment occurred primarily during glacial-interglacial transitions, thereby suggesting a climatic control on the formation of these terraces on the margins of the Tarim Basin. Furthermore, tectonic shortening rates calculated from these deformed terraces range from similar to 1.2 to similar to 4.6 mm/a and, when combined with shortening rates from other structures in the region, illuminate the late Quaternary basinward migration of deformation to faults and folds along the Pamir-Tian Shan collisional interface. KW - Tectonic geomorphology KW - Deformation KW - Quaternary terraces KW - Pamir KW - Tian shan Y1 - 2018 U6 - https://doi.org/10.1016/j.quageo.2018.01.002 SN - 1871-1014 SN - 1878-0350 VL - 46 SP - 1 EP - 15 PB - Elsevier CY - Oxford ER -