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2019


Thumb xl celia
Decoding subcategories of human bodies from both body- and face-responsive cortical regions

Foster, C., Zhao, M., Romero, J., Black, M. J., Mohler, B. J., Bartels, A., Bülthoff, I.

NeuroImage, 202(15):116085, November 2019 (article)

Abstract
Our visual system can easily categorize objects (e.g. faces vs. bodies) and further differentiate them into subcategories (e.g. male vs. female). This ability is particularly important for objects of social significance, such as human faces and bodies. While many studies have demonstrated category selectivity to faces and bodies in the brain, how subcategories of faces and bodies are represented remains unclear. Here, we investigated how the brain encodes two prominent subcategories shared by both faces and bodies, sex and weight, and whether neural responses to these subcategories rely on low-level visual, high-level visual or semantic similarity. We recorded brain activity with fMRI while participants viewed faces and bodies that varied in sex, weight, and image size. The results showed that the sex of bodies can be decoded from both body- and face-responsive brain areas, with the former exhibiting more consistent size-invariant decoding than the latter. Body weight could also be decoded in face-responsive areas and in distributed body-responsive areas, and this decoding was also invariant to image size. The weight of faces could be decoded from the fusiform body area (FBA), and weight could be decoded across face and body stimuli in the extrastriate body area (EBA) and a distributed body-responsive area. The sex of well-controlled faces (e.g. excluding hairstyles) could not be decoded from face- or body-responsive regions. These results demonstrate that both face- and body-responsive brain regions encode information that can distinguish the sex and weight of bodies. Moreover, the neural patterns corresponding to sex and weight were invariant to image size and could sometimes generalize across face and body stimuli, suggesting that such subcategorical information is encoded with a high-level visual or semantic code.

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paper pdf DOI [BibTex]

2019


paper pdf DOI [BibTex]


Thumb xl multihumanoflow thumb
Learning Multi-Human Optical Flow

Ranjan, A., Hoffmann, D. T., Tzionas, D., Tang, S., Romero, J., Black, M. J.

arxiv preprint arXiv:1910.1166, November 2019 (article)

Abstract
The optical flow of humans is well known to be useful for the analysis of human action. Recent optical flow methods focus on training deep networks to approach the problem. However, the training data used by them does not cover the domain of human motion. Therefore, we develop a dataset of multi-human optical flow and train optical flow networks on this dataset. We use a 3D model of the human body and motion capture data to synthesize realistic flow fields in both single-and multi-person images. We then train optical flow networks to estimate human flow fields from pairs of images. We demonstrate that our trained networks are more accurate than a wide range of top methods on held-out test data and that they can generalize well to real image sequences. The code, trained models and the dataset are available for research.

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Paper poster link (url) [BibTex]


Thumb xl cell patterning with acoustic hologram
Acoustic Holographic Cell Patterning in a Biocompatible Hydrogel

Ma, Z., Holle, A., Melde, K., Qiu, T., Poeppel, K., Kadiri, V., Fischer, P.

Adv. Mat., October 2019 (article)

Abstract
Acoustophoresis is promising as a rapid, biocompatible, non-contact cell manipulation method, where cells are arranged along the nodes or antinodes of the acoustic field. Typically, the acoustic field is formed in a resonator, which results in highly symmetric regular patterns. However, arbitrary, non-symmetrically shaped cell assemblies are necessary to obtain the irregular cellular arrangements found in biological tissues. We show that arbitrarily shaped cell patterns can be obtained from the complex acoustic field distribution defined by an acoustic hologram. Attenuation of the sound field induces localized acoustic streaming and the resultant convection flow gently delivers the suspended cells to the image plane where they form the designed pattern. We show that the process can be implemented in a biocompatible collagen solution, which can then undergo gelation to immobilize the cell pattern inside the viscoelastic matrix. The patterned cells exhibit F-actin-based protrusions, which indicates that the cells grow and thrive within the matrix. Cell viability assays and brightfield imaging after one week confirm cell survival and that the patterns persist. Acoustophoretic cell manipulation by holographic fields thus holds promise for non-contact, long-range, long-term cellular pattern formation, with a wide variety of potential applications in tissue engineering and mechanobiology.

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[BibTex]


Thumb xl phantom surgery
A High-Fidelity Phantom for the Simulation and Quantitative Evaluation of Transurethral Resection of the Prostate

Choi, E., Adams, F., Gengenbacher, A., Schlager, D., Palagi, S., Müller, P., Wetterauer, U., Miernik, A., Fischer, P., Qiu, T.

Annals of Biomed. Eng., October 2019 (article)

Abstract
Transurethral resection of the prostate (TURP) is a minimally invasive endoscopic procedure that requires experience and skill of the surgeon. To permit surgical training under realistic conditions we report a novel phantom of the human prostate that can be resected with TURP. The phantom mirrors the anatomy and haptic properties of the gland and permits quantitative evaluation of important surgical performance indicators. Mixtures of soft materials are engineered to mimic the physical properties of the human tissue, including the mechanical strength, the electrical and thermal conductivity, and the appearance under an endoscope. Electrocautery resection of the phantom closely resembles the procedure on human tissue. Ultrasound contrast agent was applied to the central zone, which was not detectable by the surgeon during the surgery but showed high contrast when imaged after the surgery, to serve as a label for the quantitative evaluation of the surgery. Quantitative criteria for performance assessment are established and evaluated by automated image analysis. We present the workflow of a surgical simulation on a prostate phantom followed by quantitative evaluation of the surgical performance. Surgery on the phantom is useful for medical training, and enables the development and testing of endoscopic and minimally invasive surgical instruments.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


Thumb xl vision
Interactive Materials – Drivers of Future Robotic Systems

Fischer, P.

Adv. Mat., October 2019 (article)

Abstract
A robot senses its environment, processes the sensory information, acts in response to these inputs, and possibly communicates with the outside world. Robots generally achieve these tasks with electronics-based hardware or by receiving inputs from some external hardware. In contrast, simple microorganisms can autonomously perceive, act, and communicate via purely physicochemical processes in soft material systems. A key property of biological systems is that they are built from energy-consuming ‘active’ units. Exciting developments in material science show that even very simple artificial active building blocks can show surprisingly rich emergent behaviors. Active non-equilibrium systems are therefore predicted to play an essential role to realize interactive materials. A major challenge is to find robust ways to couple and integrate the energy-consuming building blocks to the mechanical structure of the material. However, success in this endeavor will lead to a new generation of sophisticated micro- and soft-robotic systems that can operate autonomously.

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[BibTex]


Thumb xl autonomous mocap cover image new
Active Perception based Formation Control for Multiple Aerial Vehicles

Tallamraju, R., Price, E., Ludwig, R., Karlapalem, K., Bülthoff, H. H., Black, M. J., Ahmad, A.

IEEE Robotics and Automation Letters, Robotics and Automation Letters, 4(4):4491-4498, IEEE, October 2019 (article)

Abstract
We present a novel robotic front-end for autonomous aerial motion-capture (mocap) in outdoor environments. In previous work, we presented an approach for cooperative detection and tracking (CDT) of a subject using multiple micro-aerial vehicles (MAVs). However, it did not ensure optimal view-point configurations of the MAVs to minimize the uncertainty in the person's cooperatively tracked 3D position estimate. In this article, we introduce an active approach for CDT. In contrast to cooperatively tracking only the 3D positions of the person, the MAVs can actively compute optimal local motion plans, resulting in optimal view-point configurations, which minimize the uncertainty in the tracked estimate. We achieve this by decoupling the goal of active tracking into a quadratic objective and non-convex constraints corresponding to angular configurations of the MAVs w.r.t. the person. We derive this decoupling using Gaussian observation model assumptions within the CDT algorithm. We preserve convexity in optimization by embedding all the non-convex constraints, including those for dynamic obstacle avoidance, as external control inputs in the MPC dynamics. Multiple real robot experiments and comparisons involving 3 MAVs in several challenging scenarios are presented.

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pdf DOI Project Page [BibTex]

pdf DOI Project Page [BibTex]


Thumb xl plasmonic dimers
Arrays of plasmonic nanoparticle dimers with defined nanogap spacers

Jeong, H., Adams, M. C., Guenther, J., Alarcon-Correa, M., Kim, I., Choi, E., Miksch, C., Mark, A. F. M., Mark, A. G., Fischer, P.

ACS Nano, September 2019 (article)

Abstract
Plasmonic molecules are building blocks of metallic nanostructures that give rise to intriguing optical phenomena with similarities to those seen in molecular systems. The ability to design plasmonic hybrid structures and molecules with nanometric resolution would enable applications in optical metamaterials and sensing that presently cannot be demonstrated, because of a lack of suitable fabrication methods allowing the structural control of the plasmonic atoms on a large scale. Here we demonstrate a wafer-scale “lithography-free” parallel fabrication scheme to realize nanogap plasmonic meta-molecules with precise control over their size, shape, material, and orientation. We demonstrate how we can tune the corresponding coupled resonances through the entire visible spectrum. Our fabrication method, based on glancing angle physical vapor deposition with gradient shadowing, permits critical parameters to be varied across the wafer and thus is ideally suited to screen potential structures. We obtain billions of aligned dimer structures with controlled variation of the spectral properties across the wafer. We spectroscopically map the plasmonic resonances of gold dimer structures and show that they not only are in good agreement with numerically modeled spectra, but also remain functional, at least for a year, in ambient conditions.

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link (url) DOI [BibTex]


Thumb xl 3dmm
3D Morphable Face Models - Past, Present and Future

Egger, B., Smith, W. A. P., Tewari, A., Wuhrer, S., Zollhoefer, M., Beeler, T., Bernard, F., Bolkart, T., Kortylewski, A., Romdhani, S., Theobalt, C., Blanz, V., Vetter, T.

arxiv preprint arXiv:1909.01815, September 2019 (article)

Abstract
In this paper, we provide a detailed survey of 3D Morphable Face Models over the 20 years since they were first proposed. The challenges in building and applying these models, namely capture, modeling, image formation,and image analysis, are still active research topics, and we review the state-of-the-art in each of these areas. We also look ahead, identifying unsolved challenges, proposing directions for future research and highlighting the broad range of current and future applications.

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link (url) [BibTex]

link (url) [BibTex]


Thumb xl enzyme nanonets toc
Genetically modified M13 bacteriophage nanonets for enzyme catalysis and recovery

Kadiri, V. M., Alarcon-Correa, M., Guenther, J. P., Ruppert, J., Bill, J., Rothenstein, D., Fischer, P.

Catalysts, 9, pages: 723, August 2019 (article)

Abstract
Enzyme-based biocatalysis exhibits multiple advantages over inorganic catalysts, including the biocompatibility and the unchallenged specificity of enzymes towards their substrate. The recovery and repeated use of enzymes is essential for any realistic application in biotechnology, but is not easily achieved with current strategies. For this purpose, enzymes are often immobilized on inorganic scaffolds, which could entail a reduction of the enzymes’ activity. Here, we show that immobilization to a nano-scaled biological scaffold, a nanonetwork of end-to-end cross-linked M13 bacteriophages, ensures high enzymatic activity and at the same time allows for the simple recovery of the enzymes. The bacteriophages have been genetically engineered to express AviTags at their ends, which permit biotinylation and their specific end-to-end self-assembly while allowing space on the major coat protein for enzyme coupling. We demonstrate that the phages form nanonetwork structures and that these so-called nanonets remain highly active even after re-using the nanonets multiple times in a flow-through reactor.

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link (url) DOI [BibTex]


Thumb xl special issue adv opt mat
Light-controlled micromotors and soft microrobots

Palagi, S., Singh, D. P., Fischer, P.

Adv. Opt. Mat., 7, pages: 1900370, August 2019 (article)

Abstract
Mobile microscale devices and microrobots can be powered by catalytic reactions (chemical micromotors) or by external fields. This report is focused on the role of light as a versatile means for wirelessly powering and controlling such microdevices. Recent advances in the development of autonomous micromotors are discussed, where light permits their actuation with unprecedented control and thereby enables advances in the field of active matter. In addition, structuring the light field is a new means to drive soft microrobots that are based on (photo‐) responsive polymers. The behavior of the two main classes of thermo‐ and photoresponsive polymers adopted in microrobotics (poly(N‐isopropylacrylamide) and liquid‐crystal elastomers) is analyzed, and recent applications are reported. The advantages and limitations of controlling micromotors and microrobots by light are reviewed, and some of the remaining challenges in the development of novel photo‐active materials for micromotors and microrobots are discussed.

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link (url) DOI [BibTex]


Thumb xl hessepami
Learning and Tracking the 3D Body Shape of Freely Moving Infants from RGB-D sequences

Hesse, N., Pujades, S., Black, M., Arens, M., Hofmann, U., Schroeder, S.

Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2019 (article)

Abstract
Statistical models of the human body surface are generally learned from thousands of high-quality 3D scans in predefined poses to cover the wide variety of human body shapes and articulations. Acquisition of such data requires expensive equipment, calibration procedures, and is limited to cooperative subjects who can understand and follow instructions, such as adults. We present a method for learning a statistical 3D Skinned Multi-Infant Linear body model (SMIL) from incomplete, low-quality RGB-D sequences of freely moving infants. Quantitative experiments show that SMIL faithfully represents the RGB-D data and properly factorizes the shape and pose of the infants. To demonstrate the applicability of SMIL, we fit the model to RGB-D sequences of freely moving infants and show, with a case study, that our method captures enough motion detail for General Movements Assessment (GMA), a method used in clinical practice for early detection of neurodevelopmental disorders in infants. SMIL provides a new tool for analyzing infant shape and movement and is a step towards an automated system for GMA.

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pdf Journal DOI [BibTex]

pdf Journal DOI [BibTex]


Thumb xl m13 bacteriophages
Self-Assembled Phage-Based Colloids for High Localized Enzymatic Activity

Alarcon-Correa, M., Guenther, J., Troll, J., Kadiri, V. M., Bill, J., Fischer, P., Rothenstein, D.

ACS Nano, March 2019 (article)

Abstract
Catalytically active colloids are model systems for chemical motors and active matter. It is desirable to replace the inorganic catalysts and the toxic fuels that are often used, with biocompatible enzymatic reactions. However, compared to inorganic catalysts, enzyme-coated colloids tend to exhibit less activity. Here, we show that the self-assembly of genetically engineered M13 bacteriophages that bind enzymes to magnetic beads ensures high and localized enzymatic activity. These phage-decorated colloids provide a proteinaceous environment for directed enzyme immobilization. The magnetic properties of the colloidal carrier particle permit repeated enzyme recovery from a reaction solution, while the enzymatic activity is retained. Moreover, localizing the phage-based construct with a magnetic field in a microcontainer allows the enzyme-phage-colloids to function as an enzymatic micropump, where the enzymatic reaction generates a fluid flow. This system shows the fastest fluid flow reported to date by a biocompatible enzymatic micropump. In addition, it is functional in complex media including blood where the enzyme driven micropump can be powered at the physiological blood-urea concentration.

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link (url) DOI [BibTex]


Thumb xl jcp pfg nmr
Absolute diffusion measurements of active enzyme solutions by NMR

Guenther, J., Majer, G., Fischer, P.

J. Chem. Phys., 150(124201), March 2019 (article)

Abstract
The diffusion of enzymes is of fundamental importance for many biochemical processes. Enhanced or directed enzyme diffusion can alter the accessibility of substrates and the organization of enzymes within cells. Several studies based on fluorescence correlation spectroscopy (FCS) report enhanced diffusion of enzymes upon interaction with their substrate or inhibitor. In this context, major importance is given to the enzyme fructose-bisphosphate aldolase, for which enhanced diffusion has been reported even though the catalysed reaction is endothermic. Additionally, enhanced diffusion of tracer particles surrounding the active aldolase enzymes has been reported. These studies suggest that active enzymes can act as chemical motors that self-propel and give rise to enhanced diffusion. However, fluorescence studies of enzymes can, despite several advantages, suffer from artefacts. Here we show that the absolute diffusion coefficients of active enzyme solutions can be determined with Pulsed Field Gradient Nuclear Magnetic Resonance (PFG-NMR). The advantage of PFG-NMR is that the motion of the molecule of interest is directly observed in its native state without the need for any labelling. Further, PFG-NMR is model-free and thus yields absolute diffusion constants. Our PFG-NMR experiments of solutions containing active fructose-bisphosphate aldolase from rabbit muscle do not show any diffusion enhancement for the active enzymes nor the surrounding molecules. Additionally, we do not observe any diffusion enhancement of aldolase in the presence of its inhibitor pyrophosphate.

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link (url) DOI [BibTex]


Thumb xl activeoptorheologicalmedium
Chemical Nanomotors at the Gram Scale Form a Dense Active Optorheological Medium

Choudhury, U., Singh, D. P., Qiu, T., Fischer, P.

Adv. Mat., (1807382), Febuary 2019 (article)

Abstract
The rheological properties of a colloidal suspension are a function of the concentration of the colloids and their interactions. While suspensions of passive colloids are well studied and have been shown to form crystals, gels, and glasses, examples of energy‐consuming “active” colloidal suspensions are still largely unexplored. Active suspensions of biological matter, such as motile bacteria or dense mixtures of active actin–motor–protein mixtures have, respectively, reveals superfluid‐like and gel‐like states. Attractive inanimate systems for active matter are chemically self‐propelled particles. It has so far been challenging to use these swimming particles at high enough densities to affect the bulk material properties of the suspension. Here, it is shown that light‐triggered asymmetric titanium dioxide that self‐propel, can be obtained in large quantities, and self‐organize to make a gram‐scale active medium. The suspension shows an activity‐dependent tenfold reversible change in its bulk viscosity.

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link (url) DOI [BibTex]


Thumb xl kenny
Perceptual Effects of Inconsistency in Human Animations

Kenny, S., Mahmood, N., Honda, C., Black, M. J., Troje, N. F.

ACM Trans. Appl. Percept., 16(1):2:1-2:18, Febuary 2019 (article)

Abstract
The individual shape of the human body, including the geometry of its articulated structure and the distribution of weight over that structure, influences the kinematics of a person’s movements. How sensitive is the visual system to inconsistencies between shape and motion introduced by retargeting motion from one person onto the shape of another? We used optical motion capture to record five pairs of male performers with large differences in body weight, while they pushed, lifted, and threw objects. From these data, we estimated both the kinematics of the actions as well as the performer’s individual body shape. To obtain consistent and inconsistent stimuli, we created animated avatars by combining the shape and motion estimates from either a single performer or from different performers. Using these stimuli we conducted three experiments in an immersive virtual reality environment. First, a group of participants detected which of two stimuli was inconsistent. Performance was very low, and results were only marginally significant. Next, a second group of participants rated perceived attractiveness, eeriness, and humanness of consistent and inconsistent stimuli, but these judgements of animation characteristics were not affected by consistency of the stimuli. Finally, a third group of participants rated properties of the objects rather than of the performers. Here, we found strong influences of shape-motion inconsistency on perceived weight and thrown distance of objects. This suggests that the visual system relies on its knowledge of shape and motion and that these components are assimilated into an altered perception of the action outcome. We propose that the visual system attempts to resist inconsistent interpretations of human animations. Actions involving object manipulations present an opportunity for the visual system to reinterpret the introduced inconsistencies as a change in the dynamics of an object rather than as an unexpected combination of body shape and body motion.

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publisher pdf DOI [BibTex]

publisher pdf DOI [BibTex]


Thumb xl hyperrayleigh
First Observation of Optical Activity in Hyper-Rayleigh Scattering

Collins, J., Rusimova, K., Hooper, D., Jeong, H. H., Ohnoutek, L., Pradaux-Caggiano, F., Verbiest, T., Carbery, D., Fischer, P., Valev, V.

Phys. Rev. X, 9(011024), January 2019 (article)

Abstract
Chiral nano- or metamaterials and surfaces enable striking photonic properties, such as negative refractive index and superchiral light, driving promising applications in novel optical components, nanorobotics, and enhanced chiral molecular interactions with light. In characterizing chirality, although nonlinear chiroptical techniques are typically much more sensitive than their linear optical counterparts, separating true chirality from anisotropy is a major challenge. Here, we report the first observation of optical activity in second-harmonic hyper-Rayleigh scattering (HRS). We demonstrate the effect in a 3D isotropic suspension of Ag nanohelices in water. The effect is 5 orders of magnitude stronger than linear optical activity and is well pronounced above the multiphoton luminescence background. Because of its sensitivity, isotropic environment, and straightforward experimental geometry, HRS optical activity constitutes a fundamental experimental breakthrough in chiral photonics for media including nanomaterials, metamaterials, and chemical molecules.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


Thumb xl virtualcaliper
The Virtual Caliper: Rapid Creation of Metrically Accurate Avatars from 3D Measurements

Pujades, S., Mohler, B., Thaler, A., Tesch, J., Mahmood, N., Hesse, N., Bülthoff, H. H., Black, M. J.

IEEE Transactions on Visualization and Computer Graphics, 25, pages: 1887,1897, IEEE, 2019 (article)

Abstract
Creating metrically accurate avatars is important for many applications such as virtual clothing try-on, ergonomics, medicine, immersive social media, telepresence, and gaming. Creating avatars that precisely represent a particular individual is challenging however, due to the need for expensive 3D scanners, privacy issues with photographs or videos, and difficulty in making accurate tailoring measurements. We overcome these challenges by creating “The Virtual Caliper”, which uses VR game controllers to make simple measurements. First, we establish what body measurements users can reliably make on their own body. We find several distance measurements to be good candidates and then verify that these are linearly related to 3D body shape as represented by the SMPL body model. The Virtual Caliper enables novice users to accurately measure themselves and create an avatar with their own body shape. We evaluate the metric accuracy relative to ground truth 3D body scan data, compare the method quantitatively to other avatar creation tools, and perform extensive perceptual studies. We also provide a software application to the community that enables novices to rapidly create avatars in fewer than five minutes. Not only is our approach more rapid than existing methods, it exports a metrically accurate 3D avatar model that is rigged and skinned.

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Project Page IEEE Open Access IEEE Open Access PDF DOI [BibTex]

Project Page IEEE Open Access IEEE Open Access PDF DOI [BibTex]

2010


Thumb xl toc image
Molecular QED of coherent and incoherent sum-frequency and second-harmonic generation in chiral liquids in the presence of a static electric field

Fischer, P., Salam, A.

MOLECULAR PHYSICS, 108(14):1857-1868, 2010 (article)

Abstract
Coherent second-order nonlinear optical processes are symmetry forbidden in centrosymmetric environments in the electric-dipole approximation. In liquids that contain chiral molecules, however, and which therefore lack mirror image symmetry, coherent sum-frequency generation is possible, whereas second-harmonic generation remains forbidden. Here we apply the theory of molecular quantum electrodynamics to the calculation of the matrix element, transition rate, and integrated signal intensity for sum-frequency and second-harmonic generation taking place in a chiral liquid in the presence and absence of a static electric field, to examine which coherent and incoherent processes exist in the electric-dipole approximation in liquids. Third- and fourth-order time-dependent perturbation theory is employed in combination with single-sided Feynman diagrams to evaluate two contributions arising from static field-free and field-induced processes. It is found that, in addition to the coherent term, an incoherent process exists for sum-frequency generation in liquids. Surprisingly, in the case of dc-field-induced second-harmonic generation, the incoherent contribution is found to always vanish for isotropic chiral liquids even though hyper-Rayleigh second-harmonic generation and electric-field-induced second-harmonic generation are both independently symmetry allowed in any liquid.

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DOI [BibTex]

2008


Thumb xl toc image
Voltage-Controllable Magnetic Composite Based on Multifunctional Polyethylene Microparticles

Ghosh, A., Sheridon, N. K., Fischer, P.

SMALL, 4(11):1956-1958, 2008 (article)

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DOI [BibTex]

2008


2001


Thumb xl toc image
Isotropic second-order nonlinear optical susceptibilities

Fischer, P., Buckingham, A., Albrecht, A.

PHYSICAL REVIEW A, 64(5), 2001 (article)

Abstract
The second-order nonlinear optical susceptibility, in the electric dipole approximation, is only nonvanishing for materials that are noncentrosymmetric. Should the medium be isotropic, then only a chiral system. such as an optically active liquid, satisfies this symmetry requirement. We derive the quantum-mechanical form of the isotropic component of the sum- and difference-frequency susceptibility and discuss its unusual spectral properties. We show that any coherent second-order nonlinear optical process in a system of randomly oriented molecules requires the medium to be chiral. and the incident frequencies to be different and nonzero. Furthermore, a minimum of two nondegenerate excited molecular states are needed for the isotropic part of the susceptibility to be nonvanishing. The rotationally invariant susceptibility is zero in the static field limit and shows exceptionally sensitive resonance and dephasing effects that are particular to chiral centers.

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DOI [BibTex]

2001


DOI [BibTex]


Thumb xl toc image
Reply to “Comment on ‘Phenomenological damping in optical response tensors’”

Buckingham, A., Fischer, P.

PHYSICAL REVIEW A, 63(4), 2001 (article)

Abstract
We show that damping factors must not be incorporated in the perturbation of the ground state by a static electric field. If they are included, as in the theory of Stedman et al. {[}preceding Comment. Phys. Rev. A 63, 047801 (2001)], then there would be an electric dipole in the y direction induced in a hydrogen atom in the M-s = + 1/2 state by a static electric field in the x direction. Such a dipole is excluded by symmetry.

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DOI [BibTex]

1998


Thumb xl toc image
Surface second-order nonlinear optical activity

Fischer, P., Buckingham, A.

JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS, 15(12):2951-2957, 1998 (article)

Abstract
Following the recent observation of a large second-harmonic intensity difference from a monolayer of chiral molecules with left and right circularly polarized light, the scattering theory is generalized and extended to predict linear and circular intensity differences for the more Versatile sum-frequency spectroscopy. Estimates indicate that intensity differences should be detectable for a typical experimental arrangement. The second-order nonlinear surface susceptibility tensor is given for different surface point groups in the electric dipole approximation; it is shown that nonlinear optical activity phenomena unambiguously probe molecular chirality only for molecular monolayers that are symmetric about the normal. Other surface symmetries can give rise to intensity differences from monolayers composed of achiral molecules. A water surface is predicted to show Linear and nonlinear optical activity in the presence of an electric field parallel to the surface. (C) 1998 Optical Society of America {[}S0740-3224(98)01311-3] OCIS codes: 190.0190, 190.4350, 240.6490.

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DOI [BibTex]

1998


DOI [BibTex]


Thumb xl toc image
Linear electro-optic effect in optically active liquids

Buckingham, A., Fischer, P.

CHEMICAL PHYSICS LETTERS, 297(3-4):239-246, 1998 (article)

Abstract
A linear effect of an electrostatic field F on the intensity of sum- and difference-frequency generation in a chiral liquid is predicted. It arises in the electric dipole approximation. The effect changes sign with the enantiomer and on reversing the direction of the electrostatic field. The sum-frequency generator chi(alpha beta gamma)((2)) (-omega(3);omega(1),omega(2)), where omega(3) = omega(1) + omega(2), and the electric field-induced sum-frequency generator chi(alpha beta gamma delta)((3))(-omega(3);omega(1),omega(2),0)F-delta interfere and their contributions to the scattering power can be distinguished. Encouraging predictions are given for a typical experimental arrangement. (C) 1998 Elsevier Science B.V. All rights reserved.

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DOI [BibTex]

DOI [BibTex]


Thumb xl toc image
Monolayers of hexadecyltrimethylammonium p-tosylate at the air-water interface. 1. Sum-frequency spectroscopy

Bell, G., Li, Z., Bain, C., Fischer, P., Duffy, D.

JOURNAL OF PHYSICAL CHEMISTRY B, 102(47):9461-9472, 1998 (article)

Abstract
Sum-frequency vibrational spectroscopy has been used to determine the structure of monolayers of the cationic surfactant, hexadecyltrimethylammonium p-tosylate (C(16)TA(+)Ts(-)), at the surface of water. Selective deuteration of the cation or the anion allowed the separate detection of sum-frequency spectra of the surfactant and of counterions that are bound to the monolayer. The p-tosylate ions an oriented with their methyl groups pointing away from the aqueous subphase and with the C-2 axis tilted, on average, by 30-40 degrees from the surface normal. The vibrational spectra of C(16)TA(+) indicate that the number of gauche defects in the monolayer does not change dramatically when bromide counterions are replaced by p-tosylate. The ends of the hydrocarbon chains of C16TA+ are, however, tilted much further from the surface normal in the presence of p-tosylate than in the presence of bromide. A quantitative analysis of the sum-frequency spectra requires a knowledge of the molecular hyperpolarizability tensor: the role of ab initio calculations and Raman spectroscopy in determining the components of this tensor is discussed.

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DOI [BibTex]

DOI [BibTex]


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Ultraviolet resonance Raman study of drug binding in dihydrofolate reductase, gyrase, and catechol O-methyltransferase

Couling, V., Fischer, P., Klenerman, D., Huber, W.

BIOPHYSICAL JOURNAL, 75(2):1097-1106, 1998 (article)

Abstract
This paper presents a study of the use of ultraviolet resonance Raman (UVRR) spectroscopic methods as a means of elucidating aspects of drug-protein interactions. Some of the RR vibrational bands of the aromatic amino acids tyrosine and tryptophan are sensitive to the microenvironment, and the use of UV excitation radiation allows selective enhancement of the spectral features of the aromatic amino acids, enabling observation specifically of their change in microenvironment upon drug binding. The three drug-protein systems investigated in this study are dihydrofolate reductase with its inhibitor trimethoprim, gyrase with novobiocin, and catechol O-methyltransferase with dinitrocatechol. It is demonstrated that UVRR spectroscopy has adequate sensitivity to be a useful means of detecting drug-protein interactions in those systems for which the electronic absorption of the aromatic amino acids changes because of hydrogen bonding and/or possible dipole-dipole and dipole-polarizability interactions with the ligand.

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DOI [BibTex]

DOI [BibTex]