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Totally laparoscopic total gastrectomy has been developed with difficulty in intracorporeal esophagojejunostomy. Although mechanical stapling has been widely used for intracorporeal esophagojejunostomy, manual suture holds great promise with the emergence of high-resolution 3D vision and robotic surgery. After exploration of how to improve the safety and efficiency of intracorporeal suture for esophagojejunostomy, we recommended the technique of single-layer running "trapezoid-shaped" suture. The cost-effectiveness was analyzed by comparing with conventional mechanical stapling.The study retrospectively reviewed the patients undergoing laparoscopic gastrectomy for gastric cancer from January 2010 to December 2021. The patients were divided into two cohorts based on the methods of intracorporeal esophagojejunostomy: manual suture versus stapling suture. Propensity score matching was performed to match patients from the two cohorts at a ratio of 1:1. Then group comparison was made to determine whether manual suture was non-inferior to stapling suture in terms of operation time, anastomotic complications, postoperative hospital stay, and surgical cost.The study included 582 patients with laparoscopic total gastrectomy. The manual and stapling suture for esophagojejunostomy were performed in 50 and 532 patients, respectively. In manual suture cohort, the median time for the whole operation and digestive tract reconstruction were 300 min and 110 min. There was no anastomotic bleeding and stenosis but two cases of anastomotic leak which occurred at 3 days after surgery. The median length of postoperative hospital stay was 11 days. After propensity score matching, group comparison yielded two variables with statistical significance: time for digestive tract reconstruction and surgery cost. The manual suture cohort spent less money but more time for esophagojejunostomy. Intriguingly, the learning curve of manual suture revealed that the time for digestive tract reconstruction was declined with accumulated number of operations.Laparoscopic single-layer running "trapezoid-shaped" suture appears safe and cost-effective for intracorporeal esophagojejunostomy after total gastrectomy. Although the concern remains about prolonged operation time for beginners of performing the suture method, adequate practice is expected to shorten the operation time based on our learning curve analysis.

The Alpine-Himalayan Belt (AHB) includes 75 percent of all earthquakes that have killed more than 10,000 people in the past century. Geodetic measurements of crustal deformation provide important information for studying earthquake hazards, indicating how the strain is accumulating and illuminating the mechanics of large-scale continental deformation. The COMET-LiCSAR InSAR processor was designed to automatically produce InSAR products on a global scale [1]. Processed data are made freely available to the community (https://comet.nerc.ac.uk/comet-lics-portal/). With the recent expansion of the system, we aim at generating high-resolution velocity field for the entire AHB. The area is covered by 644 ascending and descending frames. We have processed 130,000 Sentinel-1 epochs in this region and generated more than half a million interferograms. The average length of the connected small baseline network is 6 years. In some sub-regions such as the Anatolia, Caucuses, Iran, Tibet and Tianshan, more than 80 percent of all Sentinel-1 acquisitions are processed. In this study, we first used the LiCBSAS approach [2] to invert for the LOS displacement time-series and velocities. Next, following the VELMAP approach [3], we used the LOS velocities and the GNSS data to solve for the velocities in nodes of a spherical triangle mesh as well as the InSAR reference frame adjustment parameters. This results in the InSAR LOS velocities in a Eurasian reference frame. We finally decomposed these referenced LOS velocities into the east-west and vertical velocities. While the vertical velocities are mainly dominated by the anthropogenic displacements such as water pumping, or any other environmental parameters such as permafrost, the east-west velocity field exhibits the features of the long-wavelength deformation along the major faults in central, east and west of the AHB. References: [1] Lacecky et al., 2020 https://doi.org/10.3390/rs12152430 [2] Morishita et al., 2020 https://doi.org/10.3390/rs12030424 [3] Wang and Wright, 2012 https://doi.org/10.1029/2012GL051222

Determining the distribution of seismic hazard in the continents requires an understanding of how much deformation is accommodated by major faults. Quantifying the role of major faults in continental deformation has been hampered by a lack of high-resolution observations in the deforming interiors of continents. By combining surface movement data derived from 22,000 satellite radar images with data from sparse, ground-based GNSS stations we produce the first high-resolution present-day surface velocity field for the Tibetan Plateau and surrounding region, where the collision of rigid Indian lithosphere with Eurasia has created Earth’s largest and highest deforming region. We show that continental deformation is best characterized by a combination of continuous distributed deformation and focused strain on a few major fault systems.

Organic light-emitting diodes (OLEDs) have gained widespread commercial use, yet there is a continuous need to identify innovative emitters that offer higher efficiency and broader color gamut. To effectively screen out promising OLED molecules that are yet to be synthesized, we perform a representation learning aided high throughput virtual screening (HTVS) over millions of Ir(III) complexes, a prototypical type of phosphorescent OLED material, constructed via a random combination of 278 reported ligands. We successfully screen out a decent amount of promising candidates for both display and lighting purposes, which are worth further experimental investigation. The high efficiency and accuracy of our model are largely attributed to the pioneering attempt of using representation learning to organic luminescent molecules, which is initiated by a pre-training procedure with over 1.6 million 3D molecular structures and frontier orbital energies predicted via semi-empirical methods, followed by a fine-tune scheme via the quantum mechanical computed properties over around 1500 candidates. Such workflow enables an effective model construction process that is otherwise hindered by the scarcity of labeled data, and can be straightforwardly extended to the discovery of other novel materials.

Bacillus subtilis has been extensively studied for its ability to inhibit the growth of harmful microorganisms and its high protease activity. In this study, Bacillus subtilis was used to ferment gluten and assess the effects of the fermentation process on the physicochemical, microstructure and antioxidant properties of gluten. The results of Fourier infrared spectroscopy (FT-IR) and circular chromatography (CD) showed a significant decrease in the content of α-helix structures and a significant increase in the content of β-sheet structures in gluten after fermentation (p p p

A facile scenario is proposed to design DBA-type molecules with E(T2) > E(S1) ≥ 2E(T1), promising to realize 200% exciton utilization through a three-step mechanism for organic electroluminescence.

The occurrence and development of cancer is a complex process involving multi-factor crosstalk. The low efficiency of drugs is an important problem for clinical treatment. Combination therapy is currently the most effective way to improve cancer treatment, but currently approved drug combinations result mainly from empirical clinical experience. Therefore, it is meaningful to present an approach to discover new drug combinations for cancer treatment. In this work, we integrated the pan-cancer and drugs high-throughput data to construct the miRNA-mediated crosstalk network between pathways of cancer and further construct the therapeutic networks for drug. Totally, 15416 crosstalks between 268 pathways in 21 cancers were identified. Base on the crosstalk inhibition, we developed a computational network biological approach to identify the effective drug which inhibition risk pathway crosstalk of cancer, and then filtrated and optimized the drug combination for cancer treatment. Ultimately, we obtained 687 optimized drug combinations of 83 first-line anticancer drugs in pan-cancers. Next, we analyzed the mechanism of drug combination, and confirmed that the targets of cancer-specific crosstalk network in drug combination were closely related to cancer prognosis by survival analysis. In addition, we developed a user-friendly web interface ODrugCP (http://bio-bigdata.hrbmu.edu.cn/oDrugCP/) that can be used to explore 687 optimized drug combination strategies related to 21 cancers. In conclusion, our study mined the key cascade pathways of drug action and analyzed the mechanism of drug combination. It can provide an effective method for screening precise drug combinations for various cancer treatments, which may have important scientific significance and clinical application value for revealing the regulatory mechanism of tumor pathogenesis and exploring new tumor treatment strategies.

Polaritons are hybrid light-matter states formed via strong coupling between excitons and photons inside a microcavity, leading to upper and lower polariton (LP) bands splitting from the exciton. The LP has been applied to reduce the energy barrier of the reverse intersystem crossing (rISC) process from T1, harvesting triplet energy for fluorescence through thermally activated delayed fluorescence. The spin-orbit coupling between T1 and the excitonic part of the LP was considered as the origin for such an rISC transition. Here we propose a mechanism, namely, rISC promoted by the light-matter coupling (LMC) between T1 and the photonic part of LP, which is originated from the ISC-induced transition dipole moment of T1. This mechanism was excluded in previous studies. Our calculations demonstrate that the experimentally observed enhancement to the rISC process of the erythrosine B molecule can be effectively promoted by the LMC between T1 and a photon. The proposed mechanism would substantially broaden the scope of the molecular design toward highly efficient cavity-promoted light-emitting materials and immediately benefit the illumination of related experimental phenomena.

In this paper, we first study the existence of ground state solutions for the following Schrödinger systems { − ∆ u + V ∞ u = G u ( u , v ) , x ∈ R N , − ∆ v + V ∞ v = G v ( u , v ) , x ∈ R N , u , v > 0 , u , v ∈ H 1 ( R N ) , where N≥3 and G ∈ C 2 ( ( R + ) 2 , R ) . And then, by using variational method and projections on Nehari-Poho z ̆ aev type manifold, we will prove the nonexistence of ground state solutions for the coupled Schrödinger systems { − ∆ u + V ( x ) u = G u ( u , v ) , x ∈ R N , − ∆ v + V ( x ) v = G v ( u , v ) , x ∈ R N , u , v > 0 , u , v ∈ H 1 ( R N ) .

CellMarker 2.0 (http://bio-bigdata.hrbmu.edu.cn/CellMarker or http://117.50.127.228/CellMarker/) is an updated database that provides a manually curated collection of experimentally supported markers of various cell types in different tissues of human and mouse. In addition, web tools for analyzing single cell sequencing data are described. We have updated CellMarker 2.0 with more data and several new features, including (i) Appending 36 300 tissue-cell type-maker entries, 474 tissues, 1901 cell types and 4566 markers over the previous version. The current release recruits 26 915 cell markers, 2578 cell types and 656 tissues, resulting in a total of 83 361 tissue-cell type-maker entries. (ii) There is new marker information from 48 sequencing technology sources, including 10X Chromium, Smart-Seq2 and Drop-seq, etc. (iii) Adding 29 types of cell markers, including protein-coding gene lncRNA and processed pseudogene, etc. Additionally, six flexible web tools, including cell annotation, cell clustering, cell malignancy, cell differentiation, cell feature and cell communication, were developed to analysis and visualization of single cell sequencing data. CellMarker 2.0 is a valuable resource for exploring markers of various cell types in different tissues of human and mouse.

Nausea, vomiting and hyperemesis in early pregnancy are common in primary care, and hospital care is required in severe cases. The aim of this review is to appraise relevant clinical practice guidelines (CPGs) to manage hyperemesis gravidarum (HG) by using the Appraisal of Guidelines for Research and Evaluation II (AGREE II) checklist.A systematic search was conducted employing PubMed, Cochrane and ScienceDirect from inception until May 2021. The quality of four CPGs were evaluated by two appraisers independently using the AGREE II checklist.Four international CPGs that fulfilled the criteria were included in this review; all scored over 50% according to the AGREE II tool. Applying a modified categorisation standard, CPGs were considered as either 'recommended' or 'recommended with modifications'.The synthesis of all four CPGs suggested similar management strategies for HG, with minor differences. Medical practitioners could use the guiding principles of management on the basis of the needs of individual patients.

The accurate description of large molecular systems in complex environments remains an ongoing challenge for the field of computational chemistry. This problem is even more pronounced for photo-induced processes, as multiple excited electronic states and their corresponding non-adiabatic couplings must be taken into account. Multiscale approaches such as hybrid quantum mechanics/molecular mechanics (QM/MM) offer a balanced compromise between accuracy and computational burden. Here, we introduce an open-source software package (INAQS) for non-adiabatic QM/MM simulations that bridges the sampling capabilities of the GROMACS MD package and the excited-state infrastructure of the Q-CHEM electronic structure software. The interface is simple and can be adapted easily to other MD codes. The code supports a variety of different trajectory based molecular dynamics, ranging from Born-Oppenheimer to surface hopping dynamics. To illustrate the power of this combination, we simulate electronic absorption spectra, free energy surfaces along a reaction coordinate, and the excited state dynamics of 1,3-cyclohexadiene in solution., Comment: 45 pages, 7 figures

The 1948 M 7.3 Ashgabat earthquake, killing over 38,000 people, occurred in the dextral strike-slip Kopeh Dagh fault zone in the Iran-Turkmenistan border region. Previously, it has been debated which fault(s) it occurred on and whether this earthquake was a thrust/reverse, strike-slip, or multi-fault earthquake, as published focal mechanisms suggest it had a reverse mechanism. We relocated the hypocentre using historical seismograms and present a new strike-slip focal mechanism. We used Pleiades satellite stereo imagery to produce Digital Elevation Models of part of the ruptured area. These data reveal clear strike-slip faults where surface ruptures were mapped in 1948. The earthquake did not rupture the Main Kopeh Dagh fault, but instead these subsidiary faults, highlighting the importance of considering lesser faults in seismic hazard models.

Following the formulation of cavity quantum-electrodynamical time-dependent density functional theory (cQED-TDDFT) models [Flick et al., ACS Photonics 6, 2757–2778 (2019) and Yang et al., J. Chem. Phys. 155, 064107 (2021)], here, we report the derivation and implementation of the analytic energy gradient for polaritonic states of a single photochrome within the cQED-TDDFT models. Such gradient evaluation is also applicable to a complex of explicitly specified photochromes or, with proper scaling, a set of parallel-oriented, identical-geometry, and non-interacting molecules in the microcavity.

Assessing the distribution of seismic hazard in the continents requires an understanding of how much deformation is accommodated by major faults. In one view, upper-crustal seismogenic faults respond passively to continuous viscous deformation of the underlying lithosphere; the alternative model is that lithospheric-scale faults control the distribution of deformation and hazard. We combine InSAR data derived from automatic (COMET-LiCSAR) processing of Sentinel-1 data (2015-2021) with a compilation of velocities from GNSS stations to produce the first high-resolution surface velocity field for the Tibetan plateau, where the collision of rigid Indian lithosphere with Eurasia has created the largest deforming region on the planet. We tie the reference frame of InSAR line-of-sight velocities to Eurasia using a joint inversion for surface velocities on a triangular mesh and reference frame adjustment parameters following the approach described in Wang and Wright 2012. We use the referenced InSAR data to invert for high-resolution East-West and Vertical velocities. The results show that the internal deformation of the Tibetan plateau can be described as a combination of distributed deformation and focused strain on a few major faults (Altyn Tagh, Kunlun, Haiyuan, Xianshuihe). We also observe continued postseismic transients associated with earthquakes that occurred within 20 years of the observations, including the 2001 Kokoxili and 1997 Manyi earthquakes. The highest elevations of the Tibetan plateau show dilatation, demonstrating the importance of internal buoyancy forces in continental tectonics. We present a new dynamic model that can explain the key features of the observations.

Pesticides are frequently used to control pests in agriculture due to their ease of use and effectiveness, but their use causes serious economic losses to sericulture when their production overlaps with agriculture. However, no suitable internal reference genes (RGs) have been reported in the study of silkworms in response to pesticides. In this study, a standard curve was established to detect the expression levels of seven RGs in different tissues of different silkworm strains after feeding with pesticides using reverse transcription quantitative real-time polymerase chain reaction (RT-qPCR), including BmGAPDH, BmActin3, BmTBP, BmRPL3, Bm28sRNA, Bmα-tubulin, and BmUBC, and the stability of them was evaluated by using NormFinder, geNorm, Delta CT, BestKeeper, and RefFinder. The results showed that BmGAPDH and Bmα-tubulin were relatively stable in the midgut after feeding with fenvalerate, BmGAPDH and Bmactin3 were relatively stable in the fat body, and Bmα-tubulin and Bmactin3 were relatively stable in the hemolymph, indicating that Bmactin3 was the most suitable RG when evaluating fenvalerate, followed by BmGAPDH and Bmα-tubulin. Besides, BmGAPDH and Bmactin3 were relatively stable in the midgut after treatment with DDVP, BmGAPDH and Bmα-tubulin were relatively stable in the fat body, and BmGAPDH and Bmα-tubulin were relatively stable in the hemolymph, indicating that Bmα-tubulin was the most stable RG when evaluating DDVP, followed by BmGAPDH and Bmactin3. Of note, BmGAPDH was shared by the two pesticides. The results will be valuable for RG selection in studying the pesticide response mechanism of silkworms and other lepidopteran insects.

The accurate description of large molecular systems in complex environments remains an ongoing challenge for the field of computational chemistry. This problem is even more pronounced for photo-induced processes, as multiple excited electronic states and their corresponding non-adiabatic couplings must be taken into account. Multiscale approaches such as hybrid quantum mechanics/molecular mechanics (QM/MM) offer a balanced compromise between accuracy and computational burden. Here, we introduce an open-source software package (INAQS) for non-adiabatic QM/MM simulations that bridges the sampling capabilities of the GROMACS MD package and the excited-state infrastructure of the Q-CHEM electronic structure software. The interface is simple and can be adapted easily to other MD codes. The code supports a variety of different trajectory based molecular dynamics, ranging from Born-Oppenheimer to surface hopping dynamics. To illustrate the power of this combination, we simulate electronic absorption spectra, free energy surfaces along a reaction coordinate, and the excited state dynamics of 1,3-cyclohexadiene in solution.