Journal of Atomic, Molecular, and Optical Physics最新文献_第2页

Theoretical Studies of Dynamic Interactions in Excited States of Hydrogen-Bonded Systems 氢键系统激发态动态相互作用的理论研究

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-08-01 DOI: 10.1155/2012/985490

M. Wójcik, M. Boczar, Łukasz Boda

引用次数: 3

Statistical Complexity of Low- and High-Dimensional Systems 低维和高维系统的统计复杂性

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-06-20 DOI: 10.1155/2012/589651

V. Ryabov, D. Nerukh

引用次数: 1

Uniformly Immobilizing Gold Nanorods on a Glass Substrate 在玻璃基板上均匀固定金纳米棒

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-06-18 DOI: 10.1155/2012/683830

Hadas Weinrib, A. Meiri, H. Duadi, D. Fixler

{"title":"Uniformly Immobilizing Gold Nanorods on a Glass Substrate","authors":"Hadas Weinrib, A. Meiri, H. Duadi, D. Fixler","doi":"10.1155/2012/683830","DOIUrl":"https://doi.org/10.1155/2012/683830","url":null,"abstract":"The goal of this paper is to immobilize gold nanoparticles uniformly on a glass substrate. In order to attach gold-nanorods (GNRs) to an area of a few squared microns surface of glass substrate without preliminary coating of the GNR, 3-(Mercaptopropyl)trimethoxysilane molecules were used as linker while using different methods. These methods included placing the glass slide and the GNR (1) inside a tube without any motion; (2) inside a shaker; (3) in a fan setup. The fan setup included a tube containing the GNR solution and the glass slide at a vertical position, when the fan blows above the tube, producing turbulations in the liquid. Each method was evaluated according to the density and the homogeneousness of the GNR monolayer on the surface. The uniformity of the monolayer was demonstrated using AFM images of different areas on the slides, and the effectiveness of the protocol was demonstrated by calculating the average density of the GNR on the surface using image processing and analysis software. It was found that while both the shaker and the fan setups improved the monolayer density, the fan setup improved the density by a factor of more than two than the density found using the shaker.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"31 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2012-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73911439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 13

The Effect of Nanoparticle Size on Cellular Binding Probability 纳米颗粒大小对细胞结合概率的影响

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-06-07 DOI: 10.1155/2012/404536

Vital Peretz, M. Motiei, C. Sukenik, R. Popovtzer

{"title":"The Effect of Nanoparticle Size on Cellular Binding Probability","authors":"Vital Peretz, M. Motiei, C. Sukenik, R. Popovtzer","doi":"10.1155/2012/404536","DOIUrl":"https://doi.org/10.1155/2012/404536","url":null,"abstract":"Nanoparticle-based contrast agents are expected to play a major role in the future of molecular imaging due to their many advantages over the conventional contrast agents. These advantages include prolonged blood circulation time, controlled biological clearance pathways, and specific molecular targeting capabilities. Recent studies have provided strong evidence that molecularly targeted nanoparticles can home selectively onto tumors and thereby increase the local accumulation of nanoparticles in tumor sites. However, there are almost no reports regarding the number of nanoparticles that bind per cell, which is a key factor that determines the diagnostic efficiency and sensitivity of the overall molecular imaging techniques. Hence, in this research we have quantitatively investigated the effect of the size of the nanoparticle on its binding probability and on the total amount of material that can selectively target tumors, at a single cell level. We found that 90 nm GNPs is the optimal size for cell targeting in terms of maximal Au mass and surface area per single cancer cell. This finding should accelerate the development of general design principles for the optimal nanoparticle to be used as a targeted imaging contrast agent.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"47 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"2012-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73666668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 11

Accurate Calculation of the Density of States near the Ground-State Energy of the Peptides Met-Enkephalin and (Alanine)5 with the Wang-Landau Method: Lessons Learned 用Wang-Landau方法精确计算Met-Enkephalin和(丙氨酸)5多肽基态能附近的态密度:经验教训

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-06-03 DOI: 10.1155/2012/782806

Priya Singh, P. Bandyopadhyay

{"title":"Accurate Calculation of the Density of States near the Ground-State Energy of the Peptides Met-Enkephalin and (Alanine)5 with the Wang-Landau Method: Lessons Learned","authors":"Priya Singh, P. Bandyopadhyay","doi":"10.1155/2012/782806","DOIUrl":"https://doi.org/10.1155/2012/782806","url":null,"abstract":"The Wang-Landau method estimates the relative density of states (DOS) by performing random walk in energy space. However, estimation of the DOS near the ground state minimum is highly challenging because of the dearth of states in the low-energy region compared to that at the high-energy region. Ideally the derivative of the logarithm of the DOS with respect to energy, which is proportional to the inverse of temperature, should become steeper with decrease in energy. However, in actual estimation of the DOS for molecular systems, it is nontrivial to achieve this. In the current work, the accuracy of the Wang-Landau method in estimating the DOS near the ground state minimum is investigated for two peptides, Met-enkephalin and (Alanine)5. It has been found that the steepness of the DOS can be achieved if the correct ground state energy is found, the bin used to discretize the energy space is extremely small (0.1 kcal/mol was used in the current case) and the energy range used to estimate the DOS is small. The findings of this work can help in devising new protocols for calculating the DOS with high accuracy near the ground state minimum for molecular systems.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"44 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2012-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89909877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Analysis of Water and Hydrogen Bond Dynamics at the Surface of an Antifreeze Protein 一种抗冻蛋白表面的水和氢键动力学分析

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-05-14 DOI: 10.1155/2012/125071

Yao Xu, Ramachandran Gnanasekaran, D. Leitner

引用次数: 23

The Effect of Nonnative Interactions on the Energy Landscapes of Frustrated Model Proteins 非原生相互作用对受挫模型蛋白能量景观的影响

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-04-22 DOI: 10.1155/2012/192613

Mark T. Oakley, D. Wales, R. Johnston

引用次数: 7

The Activation-Relaxation Technique: ART Nouveau and Kinetic ART 激活-放松技术:新艺术与动态艺术

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-04-19 DOI: 10.1155/2012/925278

N. Mousseau, L. Béland, P. Brommer, J. Joly, F. El-Mellouhi, E. Machado-Charry, M. Marinica, P. Pochet

引用次数: 64

A First-Principles-Based Potential for the Description of Alkaline Earth Metals 碱土金属描述的第一性原理

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-03-07 DOI: 10.1155/2012/648386

Johannes M. Dieterich, Sebastian Gerke, R. Mata

引用次数: 4

The Advantages of Not Entangling Macroscopic Diamonds at Room Temperature. 宏观金刚石在室温下不纠缠的优点。

Journal of Atomic, Molecular, and Optical Physics Pub Date : 2012-01-01 DOI: 10.1155/2012/469043

Mark E Brezinski

引用次数: 1