mlsa-iai-msu-lab/ru_sci_bench_zho_cite_reranking huggingface dataset:
Efficient Calculation of Absorption Spectra in Solution: Approaches for Selecting Representative Solvent Configurations and for Reducing the Number of Explicit Solvent Molecules

Dye-sensitized solar cells (DSSCs) are one of the most promising renewable energy technologies. Charge transfer and charge transport are pivotal processes in DSSCs, which govern solar energy capture and conversion. These processes can be probed using modern electronic structure methods. Because of the heterogeneity and complexity of the local environment of a chromophore in DSSCs (such as solvatochromism and chromophore aggregation), a part of the solvation environment should be treated explicitly during the calculation. However, because of the high computational cost and unfavorable scaling with the number of electrons of high-level quantum mechanical methods, approaches to explicitly treat the local environment need careful consideration. Two problems must be tackled to reduce computational cost. First, the number of configurations representing the solvent distribution should be limited as much as possible. Second, the size of the explicit region should be kept relatively small. The purpose of this study is to develop efficient computational approaches to select representative configurations and to limit the explicit solvent region to reduce the computational cost for later (higher-level) quantum mechanical calculations. For this purpose, an ensemble of solvent configurations around a 1-methyl-8-oxyquinolinium betaine (QB) dye molecule was generated using Monte Carlo simulations and molecular mechanics force fields. Then, a fitness function was developed using data from inexpensive electronic structure calculations to reduce the number of configurations. Specific solvent molecules were also selected for explicit treatment based on a distance criterion, and those not selected were treated as background charges. The configurations and solvent molecules selected proved to be good representatives of the entire ensemble; thus, expensive electronic structure calculations need to be performed only on this subset of the system, which significantly reduces the computational cost.
压力感知导管技术治疗室性心律失常的研究进展

压力感知导管技术逐渐成为治疗室性心律失常的常用方法。导管与心肌组织贴靠不良可导致无效消融,影响患者预后。随着压力感知导管在治疗室性心律失常中的应用增多,导管对心肌的贴靠压力成为评判贴靠优劣的新指标,对标测和消融的影响日益受到关注。
3D打印共面模板辅助CT引导放射性~(125)I粒子植入治疗专家共识

放射性粒子植入已经成为早期前列腺癌标准治疗手段之一。美国癌症学会、泌尿学会、临床肿瘤学会、放射肿瘤学会、近距离学会和NCCN指南均作为标准进行推广。前列腺癌粒子植入是通过经直肠超声引导联合会阴部模板辅助,实现粒子在前列腺内三维空间合理分布,确保粒子植入治疗与术前计划完全一致。
Study of Simplified Coma Scales: Acute Stroke Patients with Tracheal Intubation

Background: Whether the Glasgow Coma Scale (GCS) can assess intubated patients is still a topic of controversy. We compared the test performance of the GCS motor component (GCS-M)/Simplified Motor Score (SMS) to the total of the GCS in predicting the outcomes of intubated acute severe cerebral vascular disease patients. Methods: A retrospective analysis of prospectively collected observational data was performed. Between January 2012 and October 2015, 106 consecutive acute severe cerebral vascular disease patients with intubation were included in the study. GCS, GCS-M, GCS eye-opening component, and SMS were documented on admission and at 24,48, and 72 h after admission to Neurointensive Care Unit (NCU). Outcomes were death and unfavorable prognosis (modified Rankin Scale: 5-6) at NCU discharge. The receiver operating characteristic (ROC) curve was obtained to determine the prognostic performance and best cutoff value for each scoring system. Comparison of the area under the ROC curves (AUCs) was performed using the Z-test. Results: Of 106 patients included in the study, 41 (38.7%) patients died, and 69 (65.1%) patients had poor prognosis when discharged from NCU. The four time points within 72 h of admission to the NCU were equivalent for each scale's predictive power, except that 0 h was the best for each scale in predicting outcomes of patients with right-hemisphere lesions. Nonsignificant difference was found between GCS-M AUCs and GCS AUCs in predicting death at 0 h (0.721 vs. 0.717, Z= 0.135, P = 0.893) and 72 h (0.730 vs. 0.765, Z= 1.887, P = 0.060),in predicting poor prognosis at 0 h (0.827 vs. 0.819,Z = 0.395, P = 0.693),24 h (0.771 vs. 0.760,Z = 0.944,P = 0.345), 48 h (0.732 vs. 0.741,Z= 0.593,P=0.590),and 72 h (0.775 vs. 0.780, Z= 0.302,P=0.763). AUCs in predicting death for patients with left-hemisphere lesions ranged from 0.700 to 0.804 for GCS-M and from 0.700 to 0.824 for GCS, in predicting poor prognosis ranged from 0.841 to 0.969 for GCS-M and from 0.875 to 0.969 for GCS, with no significant difference between GCS-M AUCs and GCS AUCs within 72h(P> 0.05). No significant difference between GCS-M AUCs and GCS AUCs was found in predicting death (0.964 vs. 0.964, P = 1.000) and poor prognosis (1.000 vs. 1.000, P = 1.000) for patients with right-hemisphere lesions at 0 h. AUCs in predicting death for patients with brainstem or cerebella were poor for GCS-M (<0.700), in predicting poor prognosis ranged from 0.727 to 0.801 for GCS-M and from 0.704 to 0.820 for GCS, with no significant difference between GCS-M AUCs and GCS AUCs within 72 h (P>0.05). The SMS AUCs (<0.700) in predicting outcomes were poor. Conclusions: The GCS-M approaches the same test performance as the GCS in assessing the prognosis of intubated acute severe cerebral vascular disease patients. The GCS-M could be accurately and reliably applied in patients with hemisphere lesions, but caution must be taken for patients with brainstem or cerebella lesions.
铺药隔姜灸联合针刺治疗肝郁痰凝型乳腺增生症26例

乳腺增生症是乳腺组织的既非炎性反应也非肿瘤的良性增生性疾病,好发于25~45岁的中青年妇女,其发病率约占乳房疾病的75%,是临床最常见的乳房疾病,且有一定的致癌倾向[1].随着生活节奏的加快,现代人压力大,易烦躁,致使女性发病率逐年攀高,对女性身心健康、生活和工作质量产生了严重影响.西医治疗本病多采用激素类药物治疗,长期服用多致不良反应且依赖性强.笔者在导师指导下,采用铺药隔姜灸联合针刺治疗肝郁痰凝型乳腺增生症26例,现报道如下.
Learned local similarity prior embedding active contour model for choroidal neovascularization segmentation in optical coherence tomography images

Choroidal neovascularization (CNV) is characterized by the growth of new blood vessels in the choroid layer.These new blood vessels break beneath the retina and damage the surrounding retinal tissue,resulting in distorted central vision.As a useful tool for CNV evaluation,optical coherence tomography (OCT) has been widely used in recent years.Medical image segmentation is important in diagnosing diseases.Automatic segmentation of CNV in OCT images can improve the effectiveness of CNV quantification,which plays an important role in the diagnosis of CNV disease.
Novel metaballs-driven approach with dynamic constraints for character articulation

Skinning techniques are essential for character articulation in 3D computer animation.Currently,skeleton-based methods are widely used in the animation industry for its simplicity and efficiency,especially in linear blend skinning (LBS) and dual quaternion skinning (DQS).However,owing to the lack of the inside volumetric representation,they suffer from joint collapse,candy-wrapper,and bulging problems.
Set stability for switched Boolean networks with open-loop and closed-loop switching signals

This paper mainly analyzes the set stability of switched Boolean networks (SBNs) by considering two different methods of switching signals in the form of open-loop and closed-loop switching.First,the definitions of set stability are proposed for SBNs with such switching signals.Then,we propose two different algorithms to find the largest open-loop switching invariant set and largest closed-loop switching invariant set.Furthermore,the corresponding set stability conditions for SBNs are given in each case.In addition,the constructive procedures are presented to design the switching signal sequence to achieve set stability under the two different methods of switching signals.Finally,the effectiveness of the proposed algorithms and research results are demonstrated using two numerical examples.
Virtual network function scheduling via multilayer encoding genetic algorithm with distributed bandwidth allocation

Network function virtualization represents a revolutionary approach to network service deployment.This software-oriented approach for virtual network functions (VNFs) deployment enables more flexible and dynamic network services to meet diversified demands.To minimize the execution time of all VNFs in service function chains,VNF scheduling must be addressed.In this paper,we improve upon the flexible job-shop model by introducing the process of bandwidth allocation.First,we propose a multilayer encoding genetic algorithm to solve the VNF scheduling model.In addition,we design a distributed method for bandwidth allocation based on the Nash bargaining solution.Finally,by combining the genetic algorithm with distributed bandwidth allocation,we present a heuristic algorithm that solves the VNF scheduling problem in one stage.Using a multilayer encoding genetic algorithm,we simplify the constraints of the VNF scheduling problem and reduce its time complexity.At the same time,our Nash game solution refines the granularity of bandwidth allocation to further reduce the transmission delay between VNFs.The effectiveness of our proposed heuristic algorithm is verified through numerical evaluation.Compared with existing approaches,our method exhibits shorter scheduling time and reduces CPU time by 45% in simulated scenarios.
Distributed regression estimation with incomplete data in multi-agent networks

In this paper,distributed regression estimation problem with incomplete data in a time-varying multi-agent network is investigated.Regression estimation is carried out based on local agent information with incomplete in the non-ignorable mechanism.By virtue of gradient-based design and adaptive filter,a distributed algorithm is proposed to deal with a regression estimation problem with incomplete data.With the help of convex analysis and stochastic approximation techniques,the exact convergence is obtained for the proposed algorithm with incomplete data and a jointly-connected multi-agent topology.Moreover,online regret analysis is also given for real-time learning.Then,simulations for the proposed algorithm are also given to demonstrate how it can solve the estimation problem in a distributed way,even when the network configuration is time-varying.
BER analysis of STBC hybrid carrier system based on WFRFT with frequency domain equalization

The inherent characteristic of hybrid carrier (HC) scheme based on the weighted-type fractional Fourier transform (WFRFT) is revealed.The proposed linear combination of single carrier (SC) and multicarrier's (MC) characteristics is helpful to balance the conflicting requirements and achieve the comparative analysis of SC/MC.As an example,analytical SER/BER expressions of HC system with zero forcing (ZF) and minimum mean square error (MMSE) equalization are derived.In addition,the derived BER expressions are extended to multi-input systems.A unified framework of space time block code (STBC) HC scheme is proposed with two WFRFT modules at the transmitter or receiver,where STBC-SC and STBC-MC systems are the special cases of the novel structure.
Tip-induced or enhanced superconductivity: a way to detect topological superconductivity

Topological materials, hosting topological nontrivial electronic band, have attracted widespread attentions. As an application of topology in physics, the discovery and study of topological materials not only enrich the existing theoretical framework of physics, but also provide fertile ground for investigations on low energy excitations, such as Weyl fermions and Majorana fermions, which have not been observed yet as fundamental particles. These quasiparticles with exotic physical properties make topological materials the cutting edge of scientific research and a new favorite of high tech. As a typical example, Majorana fermions, predicted to exist in the edge state of topological superconductors, are proposed to implement topological error-tolerant quantum computers. Thus, the detection of topological superconductivity has become a frontier in condensed matter physics and materials science. Here, we review a way to detect topological superconductivity triggered by the hard point contact: tip-induced superconductivity (TISC) and tip-enhanced superconductivity (TESC). The TISC refers to the superconductivity induced by a non-superconducting tip at the point contact on non-superconducting materials. We take the elaboration of the chief experimental achievement of TISC in topological Dirac semimetal Cd_3As_2 and Weyl semimetal TaAs as key components of this article for detecting topological superconductivity. Moreover, we also briefly introduce the main results of another exotic effect, TESC, in superconducting Au2Pb and Sr_2RuO_4 single crystals, which are respectively proposed as the candidates of helical topological superconductor and chiral topological superconductor. Related results and the potential mechanism are conducive to improving the comprehension of how to induce and enhance the topological superconductivity.
High-temperature treatment induced carbon anode with ultrahigh Na storage capacity at low-voltage plateau

Sodium-ion batteries (NIBs) show great prospect on the energy storage applications benefiting from their low cost and the abundant Na resources despite the expected lower energy density compared with lithium-ion batteries (LIBs). To further enhance the competitive advantage, especially in energy density, developing the high-capacity carbon anode materials can be one of the effective approaches to realize this goal. Herein, we report a novel carbon anode made from charcoal with a high capacity of ~400 m Ah g~(-1), wherein about 85% (>330 mAh g~(-1)) of its total capacity is derived from the long plateau region below ~0.1 V, which differs from those of typical hard carbon materials (~300 mAh g~(-1)) in NIBs but is similar to the graphite anode in LIBs. When coupled with air-stable Na_(0.9)Cu_(0.22)Fe_(0.30)Mn_(0.48)O_2 oxide cathode, a high-energy density of ~240 Wh kg~(-1) is achieved with good rate capability and cycling stability. The discovery of this promising carbon anode is expected to further improve the energy density of NIBs towards large-scale electrical energy storage.
Discovery of multi-drug resistant, MCR-1 and ESBL-coproducing ST117 Escherichia coli from diseased chickens in northeast China

An endemic multi-drug resistant ST117 E. coli isolate coproducing MCR-1 and 3 ESBL loci was, for the first time, detected from diseased chicken, Liaoning Province, in Northeast China, from 2011 to 2012. Wholegenome sequencing revealed 5 unique plasmids, namely pHXH-1, pHXH-2, pHXH-3, pHXH-4 and pHXH- 5). Among them, pHXH1 and pHXH4 encode ESBL, and pHXH-5 mediates MCR-1 colistin resistance. The results indicate that the potentially-national dissemination of MCR-1-positive pathogens with pan-drug resistance proceeds via food chains.
Explicit diagnosis of the local ozone production rate and the ozone-NO_x-VOC sensitivities

In the troposphere, ozone is a harmful gas compound to both human health and vegetation. Ozone is produced from the reaction of NO_x (=NO + NO_2) and VOCs (volatile organic compounds) with light. Due to the highly nonlinear relationships between ozone and its precursors, proper ozone mitigation relies on the knowledge of chemical mechanisms. In this study, an observation-based method is used to simulate ozone formation and elucidate its controlling factors for a rural site on the North China Plain. The instantaneous ozone production rate is calculated utilizing a box model using the dataset obtained from the Wangdu campaign. First, the model was operated in a time-dependent mode to calculate the ozone production rate at each time stamp. The calculated ozone formation rate showed a diurnal average maximum value of 17 ppbv/h (1-h diurnal averaged). The contribution of individual peroxy radicals to ozone production was analyzed. In addition, the functional dependence of calculated P(O_3) reveals that ozone production was in a NO_x-limited regime during the campaign. Furthermore, the missing peroxy radical source will further extend NO_x-limited conditions to earlier in the day, making NO_x limitation dominate more of a day than the current chemical model predicts. Finally, a multiple scenarios mode, also known as EKMA (empirical kinetic modeling approach), was used to simulate the response of P (O_3) to the imaginary change in precursor concentrations. We found that ozone production was in the NO_x-limited region. However, the use of NO_2 measured by the molybdenum converter and/or the absence of a peroxy radical source in the current chemical model could over-emphasize the VOC-limited effect on ozone production.
A possible family of Ni-based high temperature superconductors

We suggest that a family of Ni-based compounds, which contain [Ni_2M_2O]~(2-) (M = chalcogen) layers with an antiperovskite structure constructed by mixed-anion Ni complexes, NiM_4O_2, can be potential high temperature superconductors (high-Tc) upon doping or applying pressure. The layer structures have been formed in many other transitional metal compounds such as La_2B_2Se_2O_3 (B = Mn, Fe, Co). For the Ni-based compounds, we predict that the parental compounds host collinear antiferromagnetic states similar to those in iron-based high temperature superconductors. The electronic physics near Fermi energy is controlled by two e_g d-orbitals with completely independent in-plane kinematics. We predict that the superconductivity in this family is characterized by strong competition between extended s-wave and d-wave pairing symmetries.
The melilite-type compound (Sr_(1-x), Ax)_2MnGe_2S_6O (A = K, La) being a room temperature ferromagnetic semiconductor

The seeking of room temperature ferromagnetic semiconductors, which take advantages of both the charge and spin degrees of freedom of electrons to realize a variety of functionalities in devices integrated with electronic, optical, and magnetic storage properties, has been a long-term goal of scientists and engineers. Here, by using the spin-polarized density functional theory calculations, we predict a new series of high temperature ferromagnetic semiconductors based on the melilite-type oxysulfide Sr_2MnGe_2S_6O through hole (K) and electron (La) doping. Due to the lack of strong antiferromagnetic superexchange between Mn ions, the weak antiferromagnetic order in the parent compound Sr_2MnGe_2S_6O can be suppressed easily by charge doping with either p-type or n-type carriers, giving rise to the expected ferromagnetic order. At a doping concentration of 25%, both the hole-doped and electron-doped compounds can achieve a Curie temperature (Tc) above 300 K. The underlying mechanism is analyzed. Our study provides an effective approach for exploring new types of high temperature ferromagnetic semiconductors.
A small molecular electron acceptor based on asymmetric hexacyclic core of thieno[1,2-b]indaceno[5,6-b0]thienothiophene for efficient fullerene-free polymer solar cells

A novel A-D-A (acceptor-donor-acceptor) type non-fullerene small molecule, A201, consisting of an asymmetric thieno[1,2-b]indaceno[5,6-b0]thienothiophene (TITT) unit as middle D part and 2-(3-oxo-2, 3-dihydroinden-1-ylidene) malononitrile (IC) groups as end-capped A parts was designed and synthesized. The asymmetric TITT building block showed a higher dipole moment of 0.85 Debye (1 Debye = 3.33564 × 10~(-30) cm) compared with the symmetric analogues of indacenodithiophene (IDT) and indacenodithieno[3,2-b]thiophene (IDTT) of 0.098 and 0.13 Debye, respectively. The solution-processed bulk heterojunction solar cells using a benzotriazole (BTA)-based polymer of J71 as donor and A201 as acceptor, showed a power conversion efficiency (PCE) of 9.36% with an open-circuit voltage (Voc) of 0.88 V, a short-circuit current (Jsc) of 13.15 mA cm-2, and a fill factor (FF) of 0.67, under the illumination of AM 1.5G at 100 mW cm~(-2). The high PCE of this material combination could be attributed to its broad absorption spectrum and the high hole mobility (lh) and electron mobility (le) of 9.56 × 10~(-4) and 5.17 × 10~(-4) cm~2 V~(-1) s~(-1), respectively. These results indicate that the asymmetric electron-donating segments are promising to construct A-D-A type small molecular acceptors, which could largely enhance the diversity of building blocks to design photovoltaic materials.
Assembly variation analysis of flexible curved surfaces based on Bezier curves

Assembly variation analysis of parts that have flexible curved surfaces is much more difficult than that of solid bodies, because of structural deformations in the assembly process. Most of the current variation analysis methods either neglect the relationships among feature points on part surfaces or regard the distribution of all feature points as the same. In this study, the problem of flexible curved surface assembly is simplified to the matching of side lines. A methodology based on Bezier curves is proposed to represent the side lines of surfaces. It solves the variation analysis problem of flexible curved surface assembly when considering surface continuity through the relations between control points and data points. The deviations of feature points on side lines are obtained through control point distribution and are then regarded as inputs in commercial finite element analysis software to calculate the final product deformations. Finally, the proposed method is illustrated in two cases of antenna surface assembly.
Protective effects of extracts of Schisandra chinensis stems against acetaminophen-induced hepatotoxicity via regulation of MAPK and caspase-3 signaling pathways

The present study was designed to evaluate protective activity of an ethanol extract of the stems of Schisandra chinensis (SCE) and explore its possible molecular mechanisms on acetaminophen (APAP) induced hepatotoxicity in a mouse model. The results of HPLC analysis showed that the main components of SCE included schisandrol A, schisandrol B, deoxyschisandrin, schisandrin B, and schisandrin C and their contents were 5.83, 7.11, 2.13, 4.86, 0.42 mg·g-1, respectively. SCE extract was given for 7 consecutive days before a single hepatotoxic dose of APAP (250 mg·kg-1) was injected to mice. Our results showed that SCE pretreatment ameliorated liver dysfunction and oxidative stress, which was evidenced by significant decreases in aspartate transaminase (AST), alanine aminotransferase (ALT), malondialdehyde (MDA) contents and elevations in reduced glutathione (GSH) and superoxide dismutase (SOD) levels. These findings were associated with the result that the SCE pretreatment significantly decreased expression levels of 4-hydroxynonenal (4-HNE) and 3-nitrotyrosine (3-NT). SCE also significantly decreased the expression levels of Bax, mitogen-activated protein kinase (MAPK), and cleaved caspase-3 by APAP exposure. Furthermore, supplementation with SCE suppressed the expression levels of inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2), suggesting alleviation of inflammatory response. In summary, these findings from the present study clearly demonstrated that SCE exerted significant alleviation in APAP-induced oxidative stress, inflammation and apoptosis mainly via regulating MAPK and caspase-3 signaling pathways.
Interactions between water vapor and atmospheric aerosols have key roles in air quality and climate change

Atmospheric aerosols, which are ubiquitous in the planetary boundary layer, have received much attention due to their effects on visibility, climate and human health. Water, a semi-volatile species, is ubiquitous in the atmosphere as well. The interaction between water vapor and aerosols plays a key role in determining the aerosol properties in the atmosphere and therefore has great effects on both air quality (Fig. 1a and b) and climate change (Fig. 1c), which is depicted in Fig. 1 as a function of atmospheric relative humidity (RH) and temperature.