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Molecular dynamics simulations on the interactions between nucleic acids and a phospholipid bilayer 核酸与磷脂双分子层相互作用的分子动力学模拟
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad1178
Yao Xu, Shu-Wei Huang, Hong-ming Ding, Yu-qiang Ma
Recently, lipid nanoparticles (LNPs) have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency, safety, and straightforward production and scalability. However, the molecular mechanism underlying the interactions between nucleic acids and phospholipid bilayers within LNPs still remains elusive. In this study, we employed the all-atom molecular dynamics simulation to investigate the interactions between single-stranded nucleic acids and a phospholipid bilayer. Our findings revealed that hydrophilic bases, specifically G in single-stranded RNA (ssRNA) and single-stranded DNA (ssDNA), displayed a higher propensity to form hydrogen bonds with phospholipid head groups. Notably, ssRNA exhibited stronger binding energy than ssDNA. Furthermore, divalent ions, particularly Ca2+, facilitated the binding of ssRNA to phospholipids due to their higher binding energy and lower dissociation rate from phospholipids. Overall, our study provides valuable insights into the molecular mechanisms underlying nucleic acid-phospholipid interactions, with potential implications for the nucleic acids in biotherapies, particularly in the context of lipid carriers.
近年来,脂质纳米颗粒(LNPs)作为核酸疫苗的非病毒载体,由于其运输效率高、安全、生产简单和可扩展性而得到了广泛的研究。然而,LNPs内核酸与磷脂双分子层相互作用的分子机制尚不清楚。在这项研究中,我们采用全原子分子动力学模拟来研究单链核酸与磷脂双分子层之间的相互作用。我们的研究结果表明,亲水性碱基,特别是单链RNA (ssRNA)和单链DNA (ssDNA)中的G,与磷脂头基团形成氢键的倾向更高。值得注意的是,ssRNA比ssDNA表现出更强的结合能。此外,二价离子,特别是Ca2+,由于其较高的结合能和较低的磷脂解离率,促进了ssRNA与磷脂的结合。总的来说,我们的研究为核酸-磷脂相互作用的分子机制提供了有价值的见解,对生物治疗中的核酸具有潜在的意义,特别是在脂质载体的背景下。
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引用次数: 0
Origin of tradeoff between movement velocity and attachment duration of kinesin motor on microtubule 驱动蛋白马达在微管上的运动速度和附着时间之间的权衡起源
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad1177
Yuying Liu, Zhiqiang Zhang
Kinesin-1 motor protein is a homodimer containing two identical motor domains connected together by a common long coiled-coil stalk via two flexible neck linkers. The motor can step on microtubule with a velocity of about 1 μm/s and an attachment duration of about 1 s under the physiological condition. The available experimental data indicated the tradeoff between the velocity and attachment duration under the variation of different experimental conditions, such as the variation of the solution temperature, the variation of the strain between the two motor domains, and so on. However, the underlying mechanism of the tradeoff is unknown. Here, the mechanism is explained by studying theoretically the dynamics of the motor under the variation of different experimental conditions, reproducing quantitatively the available experimental data and providing additional predictions. The origin of the variation of different experimental conditions leading to different decreasing rates of the attachment duration versus velocity is also explained.
Kinesin-1运动蛋白是一种同源二聚体,包含两个相同的运动结构域,由一个共同的长卷曲的线圈茎通过两个柔性颈连接体连接在一起。在生理条件下,电机可以以约1 μm/s的速度踩在微管上,附着时间约为1 s。现有的实验数据表明,在不同的实验条件下,如溶液温度的变化,两个电机域之间的应变变化等,速度和附着时间之间的权衡。然而,这种权衡的潜在机制尚不清楚。本文通过理论研究电机在不同实验条件下的动态变化,定量再现现有实验数据,并提供额外的预测来解释其机理。本文还解释了不同实验条件导致附着时间随速度下降速率不同的原因。
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引用次数: 0
Physical mechanism of secondary electron emission in Si wafers 硅晶片中二次电子发射的物理机制
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad1175
Yanan Zhao, Xiangzhao Meng, Shuting Peng, Guanghui Miao, Yuqiang Gao, Bin Peng, Wanzhao Cui, Zhongqiang Hu
CMOS compatible RF/microwave devices such as filters and amplifiers, have been widely used in wireless communication systems. However, it often exists on secondary electron emission phenomenon among those RF/microwave devices based o silicon (Si) wafers, especially in high-frequency range. In this paper, we have studied the major factors that influence the secondary electron yield (SEY) in commercial Si wafers with different doping concentrations. It shows that SEY is suppressed as the increase of doping concentrations, corresponding to a relatively short effective escape depth λ. Meanwhile, the reduced narrow band gap is beneficial to suppress the SEY by through the first-principles calculations, in which the absence of shallow energy band below the conduction band would easily capture electrons. Thus, the new physical mechanism combined the effective escape depth and band gap, would provide useful guidance for the design of integrated RF/microwave devices based on Si wafers.
CMOS兼容射频/微波器件,如滤波器和放大器,已广泛应用于无线通信系统。然而,硅基射频/微波器件中往往存在二次电子发射现象,特别是在高频范围内。本文研究了不同掺杂浓度下影响工业硅晶片二次电子产率的主要因素。结果表明,随着掺杂浓度的增加,SEY受到抑制,对应于相对较短的有效逃逸深度λ。同时,通过第一性原理计算,减小的窄带隙有利于抑制SEY,因为在传导带以下没有浅层能带,容易捕获电子。因此,结合有效逃逸深度和带隙的新物理机制,将为基于硅片的射频/微波集成器件的设计提供有益的指导。
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引用次数: 0
Effect of Body Mass Index on Post Tonsillectomy Hemorrhages. 体质量指数对扁桃体切除术后出血的影响。
IF 0.6 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 Epub Date: 2023-07-10 DOI: 10.1007/s12070-023-04060-1
Sankalp Keshari, Shivendra Pratap Singh, Sachin Jain, Arvind Singh Niranjan, Pramod Kumar, Bhavishya Kumar Patel

Aims: Obesity affects adverse outcomes in patients undergoing various surgeries. The study was carried out to assess the clinical association between body mass index and post tonsillectomy hemorrhages.

Materials and methods: This prospective study was carried out on 60 patients, age between 5 and 40 years, admitted in Department of ENT with chronic tonsillitis. Body mass index and post tonsillectomy hemorrhage were evaluated in all patients who underwent surgery. Bleeding episode were categorized according to the Austrian tonsil study.

Results: This prospective study was carried out on 60 patients (adults and children), between December 2021 and November 2022. All patients underwent tonsillectomy under general anaesthesia. It was seen that most of the patients did not have any significant bleeding i.e., Grade A1 (Dry, no clot), and A2 (Clot, but no active bleeding after clot removal) whereas 4 patients (6.7%) had Grade B1 post tonsillectomy hemorrhage (Minimal bleeding requiring minimal intervention by vasoconstriction using adrenaline swab). Post tonsillectomy hemorrhage was seen more in adults. Post tonsillectomy bleeding of Grade B1 was recored in 28.6% of underweight patients, 8% of normal weight patients and no significant bleeding occurred in any of the overweight and obese patients (p-value 0.256).

Conclusion: Overweight and obesity (higher BMI) did not increase the risk of post tonsillectomy hemorrhage in either children or adults.

目的:肥胖影响各种手术患者的不良预后。本研究旨在评估体质量指数与扁桃体切除术后出血之间的临床关系。材料与方法:本前瞻性研究纳入耳鼻喉科收治的慢性扁桃体炎患者60例,年龄5 ~ 40岁。对所有接受手术的患者进行体重指数和扁桃体切除术后出血评估。出血发作根据奥地利扁桃体研究分类。结果:这项前瞻性研究在2021年12月至2022年11月期间对60名患者(成人和儿童)进行了研究。所有患者均在全身麻醉下行扁桃体切除术。大多数患者无明显出血,即A1级(干性,无血块)和A2级(血块,但血块去除后无活动性出血),而4例患者(6.7%)扁桃体切除术后发生B1级出血(少量出血需要肾上腺素拭子血管收缩最小干预)。扁桃体切除术后出血多见于成人。28.6%体重过轻患者和8%体重正常患者扁桃体切除术后发生B1级出血,超重和肥胖患者均未发生明显出血(p值0.256)。结论:超重和肥胖(高BMI)不会增加儿童或成人扁桃体切除术后出血的风险。
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引用次数: 0
Numerical Simulation for Initial State of Avalanche in Polydisperse Particle Systems 多分散粒子系统雪崩初始状态的数值模拟
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad117b
Ren Han, Ting Li, Zhipeng Chi, Hui Yang, Ran Li
In this paper, numerical simulation is employed to investigate the initial state of avalanche in polydisperse particle systems. Nucleation and propagation processes are illustrated for pentadisperse and triadisperse particle systems, respectively. In these processes, particles involved in the avalanche grow slowly in the early stage and explosively in the later stage, which is clearly different from the continuous and steady growth trend in monodisperse system. By examining the avalanche propagation, the number growth of particles involved in the avalanche and the slope of the number growth, the initial state can be divided into three stages: T1(nucleation stage), T2 (propagation stage), T3(overall avalanche stage). We focus on the characteristics of the avalanche in T2 stage, and find that propagation distances increase almost linearly in both axial and radial directions in polydisperse systems. We also consider the distribution characteristics of the average coordination number and average velocity for the moving particles. The results support that the polydisperse particle systems are more stable in T2 stage.
本文采用数值模拟方法研究了多分散粒子系统中雪崩的初始状态。分别说明了五分散和三分散粒子系统的成核和扩展过程。在这些过程中,参与雪崩的颗粒在早期缓慢生长,在后期急剧生长,这明显不同于单分散体系中连续稳定的生长趋势。通过考察雪崩传播、参与雪崩的粒子数量增长和数量增长的斜率,将初始状态分为三个阶段:T1(成核阶段)、T2(传播阶段)、T3(整体雪崩阶段)。我们重点研究了T2阶段雪崩的特征,发现在多分散系统中,传播距离在轴向和径向上几乎呈线性增长。我们还考虑了运动粒子的平均配位数和平均速度的分布特征。结果表明,多分散颗粒体系在T2阶段更加稳定。
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引用次数: 0
Characteristics of cell motility during cell collision 细胞碰撞时的细胞运动特征
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad117c
Yikai Ma, Na Li, Wei Chen
Quantitative examination of cellular motion and intercellullar interactions possesses substantial relevance for both biology and medicine. However, the effects of intercellular interactions during cellular locomotion remain under-explored in experimental research. As such, this study seeks to bridge this research gap, adopting Dictyostelium discoideum (Dicty) cells as a paradigm to investigate variations in cellular motion during reciprocal collisions. We aim to attain a comprehensive understanding of how cell interactions influence cell motion. By observing and processing the motion trajectories of colliding cells under diverse chemical environments, we calculated the diffusion coefficient (D) and the persistence time (τ), using mean square displacement. Our analysis of the relationship dynamics between D and τ prior to the collisions reveals intricate and non-monotonic alterations in cell movements during collisions. By quantitatively scrutinizing the τ trend, we were able to categorize the cellular responses to interactions under different conditions. Importantly, we ascertained that the effect of cell interactions during collisions in Dicty cells emulates a classical sigmoid function. This discovery suggests that cellular responses might comply with a pattern akin to the Weber-Fechner law.
细胞运动和细胞间相互作用的定量检查对生物学和医学都具有实质性的相关性。然而,在细胞运动过程中,细胞间相互作用的影响在实验研究中仍未得到充分的探讨。因此,本研究试图弥合这一研究差距,采用盘状盘基骨(Dicty)细胞作为范例来研究相互碰撞过程中细胞运动的变化。我们的目标是全面了解细胞相互作用如何影响细胞运动。通过观察和处理不同化学环境下碰撞细胞的运动轨迹,我们利用均方位移计算了扩散系数(D)和持续时间(τ)。我们对碰撞前D和τ之间关系动力学的分析揭示了碰撞过程中细胞运动的复杂和非单调变化。通过定量分析τ趋势,我们能够对不同条件下细胞对相互作用的反应进行分类。重要的是,我们确定了Dicty细胞碰撞过程中细胞相互作用的影响模拟了经典的s型函数。这一发现表明,细胞反应可能遵循一种类似于韦伯-费希纳定律的模式。
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引用次数: 0
Double quantum images encryption scheme based on chaotic system 基于混沌系统的双量子图像加密方案
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad1174
She-Xiang Jiang, Yang Li, Jin Shi, Ru Zhang
This paper explores a double quantum images representation (DNEQR) model that allows for simultaneous storage of two digital images in a quantum superposition state. Additionally, a new type of two-dimensional hyperchaotic system based on Sine and Logistic maps is investigated, offering a wider parameter space and better chaotic behavior compared to the Sine and Logistic maps. Based on the DNEQR model and the hyperchaotic system, a double quantum images encryption algorithm is proposed. Firstly, two classical plaintext images are transformed into quantum states using the DNEQR model. Then, the proposed hyperchaotic system is employed to iteratively generate pseudo-random sequences. These chaotic sequences are utilized to perform pixel value and position operations on the quantum image, resulting in changes to both pixel values and positions. Finally, the ciphertext image can be obtained by qubit-level diffusion using two XOR operations between the position permutated image and the pseudo-random sequences. The corresponding quantum circuits are also given. Experimental results demonstrate that the proposed scheme ensures the security of the images during transmission, improves the encryption efficiency, and enhances anti-interference and anti-attack capabilities.
本文探讨了一种双量子图像表示(DNEQR)模型,该模型允许在量子叠加状态下同时存储两个数字图像。此外,研究了一种基于正弦和Logistic映射的新型二维超混沌系统,与正弦和Logistic映射相比,该系统具有更宽的参数空间和更好的混沌行为。基于DNEQR模型和超混沌系统,提出了一种双量子图像加密算法。首先,利用DNEQR模型将两幅经典明文图像转换为量子态。然后,利用所提出的超混沌系统迭代生成伪随机序列。利用这些混沌序列对量子图像执行像素值和位置操作,导致像素值和位置发生变化。最后,在位置置换后的图像与伪随机序列之间进行两次异或运算,通过量子比特级扩散得到密文图像。并给出了相应的量子电路。实验结果表明,该方案保证了图像在传输过程中的安全性,提高了加密效率,增强了抗干扰和抗攻击能力。
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引用次数: 0
Spin splitting of vortex beams on the surface of natural biaxial hyperbolic materials 天然双轴双曲材料表面涡束的自旋分裂
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad0ccc
Hong Liang, Haoyuan Song, Yubo Li, Di Yu, Shufang Fu
We investigated the spin splitting of vortex beam on the surface of biaxial natural hyperbolic materials (NHMs) rotated by an angle with respect to the incident plane. An obvious asymmetry of spatial shifts produced by the left-handed circularly (LCP) component and right-handed circularly polarized (RCP) component is exhibited. We derived the analytical expression for in- and out-of-plane spatial shifts for each spin component of the vortex beam. The orientation angle of the optical axis plays a key role in the spin splitting between the two spin components, which can be reflected in the simple expressions for spatial shifts without the rotation angle. Based on an α-MoO3 biaxial NHM, the spatial shifts of the two spin components with the topological charge were investigated. As the topological charge increases, the spatial shifts also increase; in addition, a tiny spatial shift close to zero can be obtained if we control the incident frequency or the polarization of the reflected beams. It can also be concluded that the maximum of the spin splitting results from the LCP component at p-incidence and the RCP component at s-incidence in the RB-II hyperbolic frequency band. The effect of the incident angle and the thickness of the α-MoO3 film on spin splitting is also considered. These results can be used for manipulating infrared radiation and optical detection.
我们研究了相对于入射平面旋转一个角度的双轴天然双曲材料(NHMs)表面上涡旋束的自旋分裂。左手圆偏振(LCP)分量和右手圆偏振(RCP)分量产生的空间偏移具有明显的不对称性。我们推导出了涡旋光束各自旋分量平面内和平面外空间偏移的分析表达式。光轴的取向角在两个自旋分量之间的自旋分裂中起着关键作用,这可以反映在没有旋转角的空间位移简单表达式中。基于 α-MoO3 双轴 NHM,研究了两个自旋分量随拓扑电荷的空间位移。随着拓扑电荷的增加,空间位移也随之增加;此外,如果我们控制入射频率或反射光束的偏振,还可以获得接近零的微小空间位移。还可以得出这样的结论:在 RB-II 双曲线频段中,自旋分裂的最大值来自于 p 入射时的 LCP 分量和 s 入射时的 RCP 分量。此外,还考虑了入射角和 α-MoO3 薄膜厚度对自旋分裂的影响。这些结果可用于操纵红外辐射和光学探测。
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引用次数: 0
Effects of drive imbalance on the particle emission from a Bose-Einstein condensate in a one-dimensional lattice 驱动力失衡对一维晶格中玻色-爱因斯坦凝聚态粒子发射的影响
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad1172
L. Lai, Zhao Li
Time-periodic driving has been an effective tool in the field of nonequilibrium quantum dynamics, which enables precise control of the particle interactions. In this work, we investigate the collective emission of particles from a Bose-Einstein condensate in a one-dimensional lattice with periodic drives that are separate in modulation amplitudes and relative phases. In addition to the enhancement of particle emission, we find that amplitude imbalances lead to energy shift and band broadening, while typical relative phases may give rise to similar gaps. These results offer insights into the specific manipulations of nonequilibrium quantum systems with tone-varying drives.
时间周期驱动已成为非平衡态量子动力学领域的一种有效工具,它能够精确控制粒子间的相互作用。在这项工作中,我们研究了一维晶格中玻色-爱因斯坦凝聚体的粒子集体发射,这些粒子具有调制幅值和相对相位分离的周期性驱动。除了粒子发射增强外,我们还发现振幅不平衡会导致能量偏移和能带展宽,而典型的相对相可能会产生类似的间隙。这些结果提供了对具有音调变化驱动器的非平衡量子系统的具体操作的见解。
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引用次数: 0
Maskless fabrication of quasi-omnidirectional V-groove solar cells using an alkaline solution-based method 利用基于碱性溶液的方法无掩膜制造准单向 V 形槽太阳能电池
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-12-01 DOI: 10.1088/1674-1056/ad0cd0
Xingqian Chen, Yan Wang, Wei Chen, Yaoping Liu, Guoguang Xing, Bowen Feng, Haozhen Li, Zongheng Sun, Xiaolong Du
Silicon passivated emitter and rear contact (PERC) solar cells with V-groove texture were fabricated using maskless alkaline solution etching with in-house developed additive. Compared with the traditional pyramid texture, the V-groove texture possesses superior effective minority carrier lifetime, enhanced p–n junction quality and better applied filling factor (FF). In addition, a V-groove texture can greatly reduce the shading area and edge damage of front Ag electrodes when the V-groove direction is parallel to the gridline electrodes. Due to these factors, the V-groove solar cells have a higher efficiency (21.78%) than pyramid solar cells (21.62%). Interestingly, external quantum efficiency (EQE) and reflectance of the V-groove solar cells exhibit a slight decrease when the incident light angle (θ) is increased from 0° to 75°, which confirms the excellent quasi omnidirectionality of the V-groove solar cells. The proposed V-groove solar cell design shows a 2.84% relative enhancement of energy output over traditional pyramid solar cells.
利用无掩模碱性溶液蚀刻技术和自主开发的添加剂,制造出了具有 V 型沟槽纹理的硅钝化发射极和后触点(PERC)太阳能电池。与传统的金字塔纹理相比,V 形槽纹理具有更长的有效少数载流子寿命、更高的 p-n 结质量和更好的应用填充因子 (FF)。此外,当 V 形槽方向与栅线电极平行时,V 形槽纹理可大大减少正面 Ag 电极的阴影面积和边缘损伤。由于这些因素,V 形槽太阳能电池的效率(21.78%)高于金字塔太阳能电池(21.62%)。有趣的是,当入射光角度(θ)从 0°增加到 75°时,V 形槽太阳能电池的外部量子效率(EQE)和反射率略有下降,这证实了 V 形槽太阳能电池具有出色的准全向性。与传统的金字塔形太阳能电池相比,拟议的 V 形槽太阳能电池设计的能量输出相对提高了 2.84%。
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引用次数: 0
期刊
Chinese Physics B
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