Thermal transport in MoS2 from molecular dynamics using different empirical potentials

Thermal properties of molybdenum disulfide (MoS2) have recently attracted attention related to fundamentals of heat propagation in strongly anisotropic materials, and in the context of potential applications to optoelectronics and thermoelectrics. Multiple empirical potentials have been developed for classical molecular dynamics (MD) simulations of this material, but it has been unclear which provides the most realistic results. Here, we calculate lattice thermal conductivity of single- and multilayer pristine MoS2 by employing three different thermal transport MD methods: equilibrium, nonequilibrium, and homogeneous nonequilibrium ones. We mainly use the Graphics Processing Units Molecular Dynamics code for numerical calculations, and the Large-scale Atomic/Molecular Massively Parallel Simulator code for crosschecks. Using different methods and computer codes allows us to verify the consistency of our results and facilitate comparisons with previous studies, where different schemes have been adopted. Our results using variants of the Stillinger-Weber potential are at odds with some previous ones and we analyze the possible origins of the discrepancies in detail. We show that, among the potentials considered here, the reactive empirical bond order (REBO) potential gives the most reasonable predictions of thermal transport properties as compared to experimental data. With the REBO potential, we further find that isotope scattering has only a small effect on thermal conduction in MoS2 and the in-plane thermal conductivity decreases with increasing layer number and saturates beyond about three layers. We identify the REBO potential as a transferable empirical potential for MD simulations of MoS2 which can be used to study thermal transport properties in more complicated situations such as in systems containing defects or engineered nanoscale features. This work establishes a firm foundation for understanding heat transport properties of MoS2 using MD simulations

sj-docx-1-tag-10.1177_17562848241234501 – Supplemental material for Splenectomy versus non-splenectomy for gastrointestinal bleeding from left-sided portal hypertension: a systematic review and meta-analysis

Supplemental material, sj-docx-1-tag-10.1177_17562848241234501 for Splenectomy versus non-splenectomy for gastrointestinal bleeding from left-sided portal hypertension: a systematic review and meta-analysis by Minghui Liu, Ning Wei and Yuhu Song in Therapeutic Advances in Gastroenterology</p

Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome-1

empty vector (-) or HA-SAP130 (+) were analyzed by immunoblotting using the antibodies against cullins or SAP155, a component of SF3b RNA-splicing complex. Rabbit reticulocyte lysate (RRL) containing translated HA-SAP130 were incubated with recombinant GST-Nedd8, GST-Ub or GST (1 μg each). HA IP samples were analyzed by anti-Cul2 and anti-GST blots and autoradiogram (S). () HA-SAP130 was translated in RRL supplemented with GST or GST-Nedd8 (1 μg each). Anti-GST blot shows that free GST-Nedd8, like GST alone, was not associated with HA-SAP130. () HeLa Cells were transfected with siRNA reagent against CAND1 or laminin-A control. Input lysate or HA IP samples were blotted with anti-CAND1 or Cul2 antibodies. Note that there was weak non-specific binding of un-neddylated Cul2 to HA beads (lane 1).<p><b>Copyright information:</b></p><p>Taken from "Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome"</p><p>http://www.biomedcentral.com/1471-2091/9/1</p><p>BMC Biochemistry 2008;9():1-1.</p><p>Published online 3 Jan 2008</p><p>PMCID:PMC2265268.</p><p></p

Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome-3

N428, HA-Cul1C450 and HA-Cul1C280 were transiently expressed in HEK293 cells. The HA-IP samples were blotted with indicated antibodies. HA-Cul1 and its truncations as indicated were transfected into Flag-SAP130 stable cells. Flag IP was performed and samples were probed with anti-HA antibody. HeLa cells were transfected with HA-Cul1 or vector. Cell extracts were incubated with anti-CSN2 antibody or pre-immune serum for 15 min at room temperature and then blotted for Cul1 or HA. Arrowheads indicate endogenous Cul1 and the lines on the right indicate overexpressed HA-Cul1.<p><b>Copyright information:</b></p><p>Taken from "Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome"</p><p>http://www.biomedcentral.com/1471-2091/9/1</p><p>BMC Biochemistry 2008;9():1-1.</p><p>Published online 3 Jan 2008</p><p>PMCID:PMC2265268.</p><p></p

Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome-0

Ease recognition and cleavage site (TEV site) and Flag tagged CSN1-NTD (1–196 aa). (Coomassie Blue staining gel showing the input NIH3T3 cell lysate and proteins eluted after TEV protease cleavage. Identity of corresponding proteins is labeled. SAP130-myc was co-transfected in HeLa cells with empty vector (lane 1) or Flag-tagged CSN subunits as indicated. Total cell extract and the Flag immunoprecipitated (IP) proteins were probed with anti-myc antibody. CSN1 was immunoprecipitated from DRB treated NIH3T3 nuclear extract. Endogenous SAP130 was enriched in CSN1 IP compared to pre-immune serum (pre-im). HA-SAP130 was translated and S-Met labeled in rabbit reticulocyte lysate. The samples were incubated with recombinant GST or GST-CSN1 proteins (1 μg each) for 30 min. Following GST pull-down, samples were analyzed by autoradiogram (upper panel) or anti-GST immunoblotting (lower panel). HA-CPSF160 was transiently co-transfected in HeLa cells with empty vector (lane 1) or Flag-tagged CSN subunits. Total cell extract and the Flag immunoprecipitated proteins were probed with anti-HA antibody.<p><b>Copyright information:</b></p><p>Taken from "Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome"</p><p>http://www.biomedcentral.com/1471-2091/9/1</p><p>BMC Biochemistry 2008;9():1-1.</p><p>Published online 3 Jan 2008</p><p>PMCID:PMC2265268.</p><p></p

Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome-4

Les were blotted with antibodies against HA, Nedd8, Elongin B or CAND1. Nedd8 modified and un-modified Cul2 proteins are indicated. HA-Cul2 and its truncations as indicated were transfected into Flag-SAP130 stable cells (upper panel) or HEK293 cells along with Flag-CSN1 (bottom panel). Flag IP was performed and samples were blotted using anti-HA antibody. A diagram indicating the Cul2 truncation constructs and the interaction results from and .<p><b>Copyright information:</b></p><p>Taken from "Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome"</p><p>http://www.biomedcentral.com/1471-2091/9/1</p><p>BMC Biochemistry 2008;9():1-1.</p><p>Published online 3 Jan 2008</p><p>PMCID:PMC2265268.</p><p></p

Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome-6

Ease recognition and cleavage site (TEV site) and Flag tagged CSN1-NTD (1–196 aa). (Coomassie Blue staining gel showing the input NIH3T3 cell lysate and proteins eluted after TEV protease cleavage. Identity of corresponding proteins is labeled. SAP130-myc was co-transfected in HeLa cells with empty vector (lane 1) or Flag-tagged CSN subunits as indicated. Total cell extract and the Flag immunoprecipitated (IP) proteins were probed with anti-myc antibody. CSN1 was immunoprecipitated from DRB treated NIH3T3 nuclear extract. Endogenous SAP130 was enriched in CSN1 IP compared to pre-immune serum (pre-im). HA-SAP130 was translated and S-Met labeled in rabbit reticulocyte lysate. The samples were incubated with recombinant GST or GST-CSN1 proteins (1 μg each) for 30 min. Following GST pull-down, samples were analyzed by autoradiogram (upper panel) or anti-GST immunoblotting (lower panel). HA-CPSF160 was transiently co-transfected in HeLa cells with empty vector (lane 1) or Flag-tagged CSN subunits. Total cell extract and the Flag immunoprecipitated proteins were probed with anti-HA antibody.<p><b>Copyright information:</b></p><p>Taken from "Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome"</p><p>http://www.biomedcentral.com/1471-2091/9/1</p><p>BMC Biochemistry 2008;9():1-1.</p><p>Published online 3 Jan 2008</p><p>PMCID:PMC2265268.</p><p></p

Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome-2

Ed antibodies. An asterisk (*) indicates a non-specific band in Flag IP. () HA-SAP130 was expressed in HEK293 cells. Anti-HA IP samples were probed with indicated antibodies. Flag immunocomplex isolated from HEK293 cells expressing empty vector, Flag-SAP130 or Flag-CPSF160 were incubated with N-terminal biotin-labeled ubiquitin, E1 and E2 (UbcH5b) as indicated. Polyubiquitination was determined by the detection of biotin-Ub.<p><b>Copyright information:</b></p><p>Taken from "Association of SAP130/SF3b-3 with Cullin-RING ubiquitin ligase complexes and its regulation by the COP9 signalosome"</p><p>http://www.biomedcentral.com/1471-2091/9/1</p><p>BMC Biochemistry 2008;9():1-1.</p><p>Published online 3 Jan 2008</p><p>PMCID:PMC2265268.</p><p></p

Multifunctional Integrated Interdigital Microsupercapacitors and Self-Powered Iontronic Tactile Pressure Sensor for Wearable Electronics

Multifunctionality and self-powering are key technologies for next-generation wearable electronics. Herein, an interdigitated MXene/TiS2-based self-powered intelligent pseudocapacitive iontronic sensor system is designed, realizing integration of energy storage and pressure-sensitive sensing function into one device. The intercalation of TiS2 nanosheet can effectively prevent self-stacking of MXene and results in mesoporous cross-linked framework, therefore exposing more active sites and broadening the electron/ion transport channels. The pressure sensing performance together with developed all-solid-state microsupercapacitor is explored systematically. When applied in a symmetrical microsupercapacitor, it presents a satisfactory energy density of 31.6 Wh/kg at 400 W/kg and 79.8% capacitance retention after 10 000 cycles. Meanwhile, with MXene/TiS2//MXene/TiS2 interdigitated structure as flexible self-powering pressure sensor, it illustrates outstanding pressure-sensing response toward external pressure, realizing accurate and continuous detection of human body motion signals. It is believed that this work proposes a feasible strategy by integrating pressure-sensing with a self-powering function for the next-generation self-powered E-skin electronics

Representative electron micrographs of liver tissue sections.

<p>Liver tissues samples from the CTL (A, C) and HS-Csn8KO (B, D ~ F) littermate mice at 4 weeks of age were processed for transmission electron microscopy. IBL, inclusion-body like structure; Scale bar=1µm.</p