Thalappil Pradeep

Bio: Thalappil Pradeep is an academic researcher from Indian Institute of Technology Madras. The author has contributed to research in topics: Cluster (physics) & Mass spectrometry. The author has an hindex of 76, co-authored 581 publications receiving 24664 citations. Previous affiliations of Thalappil Pradeep include DST Systems & Lawrence Berkeley National Laboratory.

Structural Reorganization on Amorphous Ice Films below 120 K Revealed by Near-Thermal (∼1 eV) Ion Scattering

Abstract: Topmost layers of amorphous ice undergo a structural transformation before the onset of crystallization and well before the premelting transitions. Ultralow-energy (∼1 eV) mass-selected Ar+ scattering has been used to detect this structural change. The transformation is manifested in the form of drastic changes in the scattered ion intensity in the ≤2 eV collision energy range. The changes are limited to the first few monolayers as larger thicknesses produce no additional effects. The technique becomes chemically sensitive but insensitive to the morphology and structure as the energy is increased above 3 eV. A similar behavior is observed with He+, Kr+, and a polyatomic ion, CH3+. Experiments revealed that the structural changes occurred only on amorphous ice and no such change occurred on crystalline ice. H2O and D2O ices behave similarly.

Electrohydrodynamic Assembly of Ambient Ion-Derived Nanoparticles to Nanosheets at Liquid Surfaces

Abstract: We describe an ambient ion-based method to create free-standing metal nanosheets, which in turn are composed of nanoparticles of the corresponding metal. These nanoparticle-nanosheets (NP-NSs) were formed by the electrospray deposition (ESD) of metal ions on a liquid–air interface leading to nanoparticles that self-organize under the influence of electrohydrodynamic flows, driven by the electric field induced by the applied potential. Such a two-dimensional organization of noble metals is similar to the assembly of molecules at liquid–air interface and has the possibility of creating a category of new materials useful for diverse applications. Enhanced catalytic activity of the formed NP-NSs for Suzuki–Miyaura coupling reaction was demonstrated, which was attributed to their large surface-to-volume ratios.

Evolution of Atomically Precise Silver Clusters to Superlattice Crystals

Abstract: We report the systematic size evolution of an organic-soluble, atomically precise silver cluster (product 1 ) of ≈0.9 nm diameter to superlattices (SLs). Product 1 converts gradually to more stable plasmonic particles of ≈2.9 nm diameter (product 2 ) and constant heating of the latter at 100 °C leads to crystals composed of self organized nanoparticles or SLs (product 3 ). Evolution of product 1 to larger nanoparticles was observed by mass spectrometry, while the formation of nanoparticles and crystals was investigated by electron microscopy. The constituent units of products, 1 (m/z of 13.5 k), 2 (mixture of m/z 70 k and 80 k), and 3 (m/z of 148 k) are tentatively assigned to Ag 75 (PET) 40 , Ag ∼ 530 (PET) ∼ 100 (with Ag ∼ 561 (PET) ∼ 150 ), and Ag ∼ 923 (PET) ∼ 351 , respectively, where PET refers to 2-phenylethanethiol, the ligand used for protecting the cluster core. Creation of nanoparticle crystals starting from atomically precise clusters points to the synthesis of nanoparticle solids with tunable properties. Atomically precise clusters of noble metals exhibiting intense luminescence and having distinct absorption characteristics [ 1 ]

I and i

Abstract: There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality. Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

Fast parallel algorithms for short-range molecular dynamics

Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Abstract: 抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

Gold nanoparticles in chemical and biological sensing.

Abstract: Detection of chemical and biological agents plays a fundamental role in biomedical, forensic and environmental sciences1–4 as well as in anti bioterrorism applications.5–7 The development of highly sensitive, cost effective, miniature sensors is therefore in high demand which requires advanced technology coupled with fundamental knowledge in chemistry, biology and material sciences.8–13 In general, sensors feature two functional components: a recognition element to provide selective/specific binding with the target analytes and a transducer component for signaling the binding event. An efficient sensor relies heavily on these two essential components for the recognition process in terms of response time, signal to noise (S/N) ratio, selectivity and limits of detection (LOD).14,15 Therefore, designing sensors with higher efficacy depends on the development of novel materials to improve both the recognition and transduction processes. Nanomaterials feature unique physicochemical properties that can be of great utility in creating new recognition and transduction processes for chemical and biological sensors15–27 as well as improving the S/N ratio by miniaturization of the sensor elements.28 Gold nanoparticles (AuNPs) possess distinct physical and chemical attributes that make them excellent scaffolds for the fabrication of novel chemical and biological sensors (Figure 1).29–36 First, AuNPs can be synthesized in a straightforward manner and can be made highly stable. Second, they possess unique optoelectronic properties. Third, they provide high surface-to-volume ratio with excellent biocompatibility using appropriate ligands.30 Fourth, these properties of AuNPs can be readily tuned varying their size, shape and the surrounding chemical environment. For example, the binding event between recognition element and the analyte can alter physicochemical properties of transducer AuNPs, such as plasmon resonance absorption, conductivity, redox behavior, etc. that in turn can generate a detectable response signal. Finally, AuNPs offer a suitable platform for multi-functionalization with a wide range of organic or biological ligands for the selective binding and detection of small molecules and biological targets.30–32,36 Each of these attributes of AuNPs has allowed researchers to develop novel sensing strategies with improved sensitivity, stability and selectivity. In the last decade of research, the advent of AuNP as a sensory element provided us a broad spectrum of innovative approaches for the detection of metal ions, small molecules, proteins, nucleic acids, malignant cells, etc. in a rapid and efficient manner.37 Figure 1 Physical properties of AuNPs and schematic illustration of an AuNP-based detection system. In this current review, we have highlighted the several synthetic routes and properties of AuNPs that make them excellent probes for different sensing strategies. Furthermore, we will discuss various sensing strategies and major advances in the last two decades of research utilizing AuNPs in the detection of variety of target analytes including metal ions, organic molecules, proteins, nucleic acids, and microorganisms.