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1.
IEEE Trans Haptics ; PP2024 May 10.
Article in English | MEDLINE | ID: mdl-38728122

ABSTRACT

To design complex wearable haptic interfaces using pressure, we have to explore how we can use pressure stimuli to their full potential. Haptic illusions, such as apparent motion and apparent location, can be a part of this. If these illusions can be evoked with pressure, haptic patterns can increase in complexity without increasing the number of actuators or combining different types of actuators. We did two psychophysical experiments with pressure stimuli on the forearm using a pneumatic sleeve with multiple, individually controlled McKibben actuators. In Experiment 1, we found that spatial integration of two simultaneously presented stimuli occurred for distances up to 61 mm. In Experiment 2, we found that apparent motion can be elicited with distinct pressure stimuli over a range of temporal parameters. These results clearly show spatio-temporal integration in the somatosensory system for pressure stimuli. We discuss these findings in relation to effects found for vibration and the mechanoreceptors in the glabrous skin.

2.
Ann Biomed Eng ; 51(12): 2873-2882, 2023 Dec.
Article in English | MEDLINE | ID: mdl-37598135

ABSTRACT

Neuromuscular electrical stimulation (NMES) of the quadriceps (Q) may increase venous blood flow to reduce the risk of venous thromboembolism. This study assessed whether Q-NMES pants could increase peak venous velocity (PVV) in the femoral vein using Doppler ultrasound and minimize discomfort. On 15 healthy subjects, Q-NMES using textile electrodes integrated in pants was applied with increasing intensity (mA) until the first visible muscle contraction [measurement level (ML)-I] and with an additional increase of six NMES levels (ML II). Discomfort using a numeric rating scale (NRS, 0-10) and PVV were used to assess different NMES parameters: frequency (1, 36, 66 Hz), ramp-up/-down time (RUD) (0, 1 s), plateau time (1.5, 4, and 6 s), and on:off duty cycle (1:1, 1:2, 1:3, 1:4). Q-NMES pants significantly increased PVV from baseline with 93% at ML I and 173% at ML II. Frequencies 36 Hz and 66 Hz and no RUD resulted in significantly higher PVV at both MLs compared to 1 Hz and 1 s RUD, respectively. Plateau time, and duty cycle did not significantly change PVV. Discomfort was only significantly higher with increasing intensity and frequency. Q-NMES pants produces intensity-dependent 2-3-fold increases of venous blood flow with minimal discomfort. The superior NMES parameters were a frequency of 36 Hz, 0 s RUD, and intensity at ML II. Textile-based NMES wearables are promising for non-episodic venous thromboembolism prevention.


Subject(s)
Electric Stimulation Therapy , Venous Thromboembolism , Wearable Electronic Devices , Humans , Quadriceps Muscle/diagnostic imaging , Quadriceps Muscle/physiology , Muscle Contraction/physiology , Electric Stimulation Therapy/methods , Electric Stimulation/methods , Muscle, Skeletal/physiology
3.
Annu Int Conf IEEE Eng Med Biol Soc ; 2021: 1305-1308, 2021 11.
Article in English | MEDLINE | ID: mdl-34891525

ABSTRACT

The major reason for preventable hospital death is venous thromboembolism (VTE). Non-pharmacological treatment options include electrical stimulation or compression therapy to improve blood flow in the extremities. Textile electrodes offer potential to replace bulky devices commonly used in this field, thereby improving the user compliance. In this work, the performance of dry and wet knitted electrodes in combination with pressure application to the electrode was evaluated in neuromuscular electrical stimulation (NMES). A motor point stimulation on the calf was performed on nine healthy subjects to induce a plantarflexion and the required stimulation intensity as well as the perceived pain were assessed. The performance of the different electrode constructions was compared and the influence of the pressure application was analysed. The results show that wet textile electrodes (0.9 % saline solution) perform significantly better than dry electrodes. However, opportunities were found for improving the performance of dry textile electrodes by using an uneven surface topography in combination with an intermediate to high pressure application to the electrode (> 20 mmHg), e.g. by using a compression stocking. Moreover, the smaller of the two tested electrode areas (16 cm2; 32 cm2) appears to be favourable in terms of stimulation comfort and efficiency.


Subject(s)
Electric Stimulation Therapy , Textiles , Electric Stimulation , Electrodes , Humans , Stockings, Compression
4.
J Chem Phys ; 155(5): 054105, 2021 Aug 07.
Article in English | MEDLINE | ID: mdl-34364331

ABSTRACT

One of the key factors in enabling trust in artificial intelligence within the materials science community is the interpretability (or explainability) of the underlying models used. By understanding what features were used to generate predictions, scientists are then able to critically evaluate the credibility of the predictions and gain new insights. Here, we demonstrate that ignoring hyperparameters viewed as less impactful to the overall model performance can deprecate model explainability. Specifically, we demonstrate that random forest models trained using unconstrained maximum depths, in accordance with accepted best practices, often can report a randomly generated feature as being one of the most important features in generated predictions for classifying an alloy as being a high entropy alloy. We demonstrate that this is the case for impurity, permutation, and Shapley importance rankings, and the latter two showed no strong structure in terms of optimal hyperparameters. Furthermore, we demonstrate that, for the case of impurity importance rankings, only optimizing the validation accuracy, as is also considered standard in the random forest community, yields models that prefer the random feature in generating their predictions. We show that by adopting a Pareto optimization strategy to model performance that balances validation statistics with the differences between the training and validation statistics, one obtains models that reject random features and thus balance model predictive power and explainability.

5.
Sensors (Basel) ; 21(5)2021 Feb 24.
Article in English | MEDLINE | ID: mdl-33668250

ABSTRACT

Textile electrodes, also called textrodes, for biosignal monitoring as well as electrostimulation are central for the emerging research field of smart textiles. However, so far, only the general suitability of textrodes for those areas was investigated, while the influencing parameters on the contact impedance related to the electrode construction and external factors remain rather unknown. Therefore, in this work, six different knitted electrodes, applied both wet and dry, were compared regarding the influence of specific knitting construction parameters on the three-electrode contact impedance measured on a human forearm. Additionally, the influence of applying pressure was investigated in a two-electrode setup using a water-based agar dummy. Further, simulation of an equivalent circuit was used for quantitative evaluation. Indications were found that the preferred electrode construction to achieve the lowest contact impedance includes a square shaped electrode, knitted with a high yarn density and, in the case of dry electrodes, an uneven surface topography consisting of loops, while in wet condition a smooth surface is favorable. Wet electrodes are showing a greatly reduced contact impedance and are therefore to be preferred over dry ones; however, opportunities are seen for improving the electrode performance of dry electrodes by applying pressure to the system, thereby avoiding disadvantages of wet electrodes with fluid administration, drying-out of the electrolyte, and discomfort arising from a "wet feeling".


Subject(s)
Electrodes , Skin , Textiles , Electric Impedance , Equipment Design , Humans
6.
Dalton Trans ; 49(47): 17281-17300, 2020 Dec 15.
Article in English | MEDLINE | ID: mdl-33201971

ABSTRACT

A graphene/Fe loaded polyester fabric (PET) with robust electrical and catalytic properties has been successfully developed for the first time via a simple coating-incorporation method using hyperbranched poly(amidoamine) (PAMAM) dendrimer as the binder. Both graphene oxide (GO/rGO) and zerovalent iron (Fe0) nanoparticles were loaded on the polyester fabric surface before and after chemical grafting of PAMAM. Full characterization of fabrics before and after modifications has been performed by sessile droplet goniometry, ζ-potential, K/S coating evenness, SEM, XPS, FTIR, TGA and DSC analyses. The results showed successful and uniform coating of GO/rGO and loading of Fe0 on PET and also showed the correlation between the type of chemical moiety responsible for uniform GO coating, high Fe0 loading and their electrical and catalytic activities. Sheet resistance (Rsh) analysis was carried out to measure the conductivity of the samples. The lowest Rsh (corresponding to high conductivity) was found in PET-PAM-rGO-Fe0 (0.74 ± 0.13 kΩ sq-1) followed by PET-rGO-Fe0 (1.32 ± 0.18 kΩ sq-1), PET-PAM-rGO (2.96 ± 0.08 kΩ sq-1) and PET-rGO (3.41 ± 0.34 kΩ sq-1). Furthermore, Fe0-loaded samples were found to be effective in the catalytic removal of toxic water pollutants (crystal violet dye) with ∼99% removal of pollutants in around one hour, as observed by UV-vis spectroscopy. The relatively high electrical conductivity and catalytic activity of PET-PAM-rGO-Fe0 are related to the role played by PAMAM in the uniform rGO coating and high Fe0 loading. These findings are of great importance as they allow envisaging the development of multifunctional textiles for combined smart and green chemistry application.

7.
Materials (Basel) ; 12(22)2019 Nov 14.
Article in English | MEDLINE | ID: mdl-31739408

ABSTRACT

This study introduces the concept of a thermal textile pixel, a spatially and temporally defined textile structure that shows spatial and temporal thermal contrast and can be used in the context of thermal communication. A study was performed investigating (a) in-plane and (b) out-of-plane thermal signal behaviour for knitted structures made of three different fibre types; namely, polyamide, wool, and metal containing Shieldex yarn, and two different knitting structures: plain knit and terry knit. The model thermal source was a Peltier element. For (a), a thermography set-up was used to monitor the spatial development of thermal contrast, and for (b), an arrangement with thermocouple measuring temperature development over time. Results show that the use of conductive materials such as Shieldex is unnecessary for the plain knit if only heating is required, whereas such use significantly improves performance for the terry knit structures. The findings demonstrate that the textile pixel is able to spatially and temporally focus thermal signals, thereby making it viable for use as an interface for thermal communication devices. Having well-defined thermal textile pixels opens up potential for the development of matrices for more complex information conveyance.

8.
Chem Mater ; 31(11)2019.
Article in English | MEDLINE | ID: mdl-38618186

ABSTRACT

Due to the highly directional nature of transport in polymer-based organic field-effect transistors (OFETs), alignment of the polymer backbone can significantly affect device performance. While many methods of alignment have been detailed, the mechanism of alignment is rarely revealed-especially in cases of flow-induced alignment. Polymer aggregates are often observed in highly aligned systems, but their role is similarly unclear. Here, we present a comprehensive characterization of blade-coated P(NDI2OD-T2) (N2200) for OFET applications, including a rigorous, multimodal characterization of its in-plane alignment. Film thickness follows the expected power-law dependence on coating speed, while bulk polymer backbone orientation transitions from perpendicular to parallel to the coating direction as speed is increased. Charge carrier mobility >2 cm2/(V s) is achieved parallel to the coating direction for aligned N2200 coated at 5 mm/s and is found to be strongly correlated with the in-plane alignment of the fibrillar morphology at the film's surface, characterized with atomic force microscopy and near-edge X-ray absorption. We develop a model of N2200 crystal anisotropy through rotational scans of grazing incidence wide-angle X-ray scattering (GIWAXS) and use it to analyze simultaneous in situ GIWAXS and UV-vis reflectance data from polymer solutions coated at 5 mm/s. A small population of crystals align early in the drying process, but bulk alignment occurs very late in the drying process, likely mediated by a lyotropic liquid crystal phase transition templated by the aligned crystals. Our characterization also suggests that the majority of material in N2200 thin films is noncrystalline at these conditions.

9.
ACS Appl Mater Interfaces ; 10(42): 36464-36474, 2018 Oct 24.
Article in English | MEDLINE | ID: mdl-30273486

ABSTRACT

Understanding the role of the distribution of polymer chain lengths on process-structure-property relationships in semiconducting organic electronics has remained elusive due to challenges in synthesizing targeted molecular weights ( Mw) and polydispersity indices. Here, a facile blending approach of various poly(3-hexylthiophene) (P3HT) molecular weights is used to investigate the impact of the distribution of polymer chain lengths on self-assembly into aggregates and associated charge transport properties. Low and high Mw samples were blended to form a highly polydisperse sample which was compared to a similar, medium Mw control. Self-assembly was induced by preprocessing the polymer solution with UV irradiation and subsequent solution aging before deposition via blade-coating. Superior charge carrier (hole) mobilities were observed for the blend and control samples. Furthermore, their solution lifetimes exceeded 14 days. UV-vis spectral analysis suggests that low Mw P3HT lacks the mesoscale crystallinity required for percolative charge transport. In contrast, when the Mw is too high, the polymer rapidly aggregates, leading to paracrystalline disorder and structural inhomogeneity that interrupts charge-transfer pathways. The role of grain boundaries, fibrillar order, and macroscale alignment is characterized via grazing-incidence wide-angle X-ray scattering, atomic force microscopic, and optical microscopic techniques. The results presented here provide additional guidance on the interplay between polymer solubility, self-assembly, network interconnectivity, and charge transport to enable robust polymer ink formulations with reliable and reproducible performance attributes.

10.
Environ Sci Pollut Res Int ; 25(2): 1191-1199, 2018 Jan.
Article in English | MEDLINE | ID: mdl-29081044

ABSTRACT

Microplastics in the environment are a subject of intense research as they pose a potential threat to marine organisms. Plastic fibers from textiles have been indicated as a major source of this type of contaminant, entering the oceans via wastewater and diverse non-point sources. Their presence is also documented in terrestrial samples. In this study, the amount of microfibers shedding from synthetic textiles was measured for three materials (acrylic, nylon, polyester), knit using different gauges and techniques. All textiles were found to shed, but polyester fleece fabrics shed the greatest amounts, averaging 7360 fibers/m-2/L-1 in one wash, compared with polyester fabrics which shed 87 fibers/m-2/L-1. We found that loose textile constructions shed more, as did worn fabrics, and high twist yarns are to be preferred for shed reduction. Since fiber from clothing is a potentially important source of microplastics, we suggest that smarter textile construction, prewashing and vacuum exhaustion at production sites, and use of more efficient filters in household washing machines could help mitigate this problem.


Subject(s)
Environmental Pollutants/analysis , Particulate Matter/analysis , Plastics/analysis , Textiles/analysis , Detergents , Nylons/chemistry , Particle Size , Polyesters/chemistry , Wastewater/chemistry
11.
ACS Appl Mater Interfaces ; 9(41): 36090-36102, 2017 Oct 18.
Article in English | MEDLINE | ID: mdl-28952712

ABSTRACT

High-throughput discovery of process-structure-property relationships in materials through an informatics-enabled empirical approach is an increasingly utilized technique in materials research due to the rapidly expanding availability of data. Here, process-structure-property relationships are extracted for the nucleation, growth, and deposition of semiconducting poly(3-hexylthiophene) (P3HT) nanofibers used in organic field effect transistors, via high-throughput image analysis. This study is performed using an automated image analysis pipeline combining existing open-source software and new algorithms, enabling the rapid evaluation of structural metrics for images of fibrillar materials, including local orientational order, fiber length density, and fiber length distributions. We observe that microfluidic processing leads to fibers that pack with unusually high density, while sonication yields fibers that pack sparsely with low alignment. This is attributed to differences in their crystallization mechanisms. P3HT nanofiber packing during thin film deposition exhibits behavior suggesting that fibers are confined to packing in two-dimensional layers. We find that fiber alignment, a feature correlated with charge carrier mobility, is driven by increasing fiber length, and that shorter fibers tend to segregate to the buried dielectric interface during deposition, creating potentially performance-limiting defects in alignment. Another barrier to perfect alignment is the curvature of P3HT fibers; we propose a mechanistic simulation of fiber growth that reconciles both this curvature and the log-normal distribution of fiber lengths inherent to the fiber populations under consideration.

12.
Sci Adv ; 3(1): e1600327, 2017 Jan.
Article in English | MEDLINE | ID: mdl-28138542

ABSTRACT

A need exists for artificial muscles that are silent, soft, and compliant, with performance characteristics similar to those of skeletal muscle, enabling natural interaction of assistive devices with humans. By combining one of humankind's oldest technologies, textile processing, with electroactive polymers, we demonstrate here the feasibility of wearable, soft artificial muscles made by weaving and knitting, with tunable force and strain. These textile actuators were produced from cellulose yarns assembled into fabrics and coated with conducting polymers using a metal-free deposition. To increase the output force, we assembled yarns in parallel by weaving. The force scaled linearly with the number of yarns in the woven fabric. To amplify the strain, we knitted a stretchable fabric, exhibiting a 53-fold increase in strain. In addition, the textile construction added mechanical stability to the actuators. Textile processing permits scalable and rational production of wearable artificial muscles, and enables novel ways to design assistive devices.


Subject(s)
Artificial Organs , Muscle, Skeletal , Robotics , Humans
13.
Acc Chem Res ; 50(4): 932-942, 2017 04 18.
Article in English | MEDLINE | ID: mdl-28234458

ABSTRACT

Conjugated semiconducting polymers have been the subject of intense study for over two decades with promising advances toward a printable electronics manufacturing ecosystem. These materials will deliver functional electronic devices that are lightweight, flexible, large-area, and cost-effective, with applications ranging from biomedical sensors to solar cells. Synthesis of novel molecules has led to significant improvements in charge carrier mobility, a defining electrical performance metric for many applications. However, the solution processing and thin film deposition of conjugated polymers must also be properly controlled to obtain reproducible device performance. This has led to an abundance of research on the process-structure-property relationships governing the microstructural evolution of the model semicrystalline poly(3-hexylthiophene) (P3HT) as applied to organic field effect transistor (OFET) fabrication. What followed was the production of an expansive body of work on the crystallization, self-assembly, and charge transport behavior of this semiflexible polymer whose strong π-π stacking interactions allow for highly creative methods of structural control, including the modulation of solvent and solution properties, flow-induced crystallization and alignment techniques, structural templating, and solid-state thermal and mechanical processing. This Account relates recent progress in the microstructural control of P3HT thin films through the nucleation, growth, and alignment of P3HT nanofibers. Solution-based nanofiber formation allows one to develop structural order prior to thin film deposition, mitigating the need for intricate deposition processes and enabling the use of batch and continuous chemical processing steps. Fiber growth is framed as a traditional crystallization problem, with the balance between nucleation and growth rates determining the fiber size and ultimately the distribution of grain boundaries in the solid state. Control of nucleation can be accomplished through a sonication-based seeding procedure, while growth can be modulated through supersaturation control via the tuning of solvent quality, the use of UV irradiation or through aging. These principles carry over to the flow-induced growth of P3HT nanofibers in a continuous microfluidic processing system, leading to thin films with significantly enhanced mobility. Further gains can be made by promoting long-range polymer chain alignment, achieved by depositing nanofibers through shear-based coating methods that promote high fiber packing density and alignment. All of these developments in processing were carried out on a standard OFET platform, enabling us to generalize quantitative structure-property relationships from structural data sources such as UV-vis, AFM, and GIWAXS. It is shown that a linear correlation exists between mobility and the in-plane orientational order of nanofibers, as extracted from AFM images using advanced computer vision software developed by our group. Herein, we discuss data-driven approaches to the determination of process-structure-property relationships, as well as the transferability of structural control strategies for P3HT to other conjugated polymer systems and applications.

14.
ACS Nano ; 9(8): 8220-30, 2015 Aug 25.
Article in English | MEDLINE | ID: mdl-26182171

ABSTRACT

Very few studies have reported oriented crystallization of conjugated polymers directly in solution. Here, solution crystallization of conjugated polymers in a microfluidic system is found to produce tightly π-stacked fibers with commensurate improved charge transport characteristics. For poly(3-hexylthiophene) (P3HT) films, processing under flow caused exciton bandwidth to decrease from 140 to 25 meV, π-π stacking distance to decrease from 3.93 to 3.72 Å and hole mobility to increase from an average of 0.013 to 0.16 cm(2) V(-1) s(-1), vs films spin-coated from pristine, untreated solutions. Variation of the flow rate affected thin-film structure and properties, with an intermediate flow rate of 0.25 m s(-1) yielding the optimal π-π stacking distance and mobility. The flow process included sequential cooling followed by low-dose ultraviolet irradiation that promoted growth of conjugated polymer fibers. Image analysis coupled with mechanistic interpretation supports the supposition that "tie chains" provide for charge transport pathways between nanoaggregated structures. The "microfluidic flow enhanced semiconducting polymer crystal engineering" was also successfully applied to a representative electron transport polymer and a nonhalogenated solvent. The process can be applied as a general strategy and is expected to facilitate the fabrication of high-performance electrically active polymer devices.

15.
ACS Appl Mater Interfaces ; 7(25): 14095-103, 2015 Jul 01.
Article in English | MEDLINE | ID: mdl-26047367

ABSTRACT

Low-dose UV irradiation of poly(3-hexylthiophene) (P3HT)-insulating polymer (polystyrene (PS) or polyisobutylene (PIB)) blend solutions led to the formation of highly ordered P3HT nanofibrillar structures in solidified thin films. The P3HT nanofibers were effectively interconnected through P3HT islands phase-separated from insulating polymer regions in blend films comprising a relatively low fraction of P3HT. Films prepared with a P3HT content as low as 5 wt % exhibited excellent macroscopic charge transport characteristics. The impact of PS on P3HT intramolecular and intermolecular interactions was systematically investigated. The presence of PS chains appeared to assist in the UV irradiation process of the blend solutions to facilitate molecular interactions of the semiconductor component, and to enhance P3HT chain interactions during spin coating because of relatively unfavorable P3HT-PS chain interactions. However, P3HT lamellar packing was hindered in the presence of PS chains, because of favorable hydrophobic interactions between the P3HT hexyl substituents and the PS chains. As a result, the lamellar packing d-spacing increased, and the coherence length corresponding to the lamellar packing decreased, as the amount of PS in the blend films increased.

17.
Scand J Clin Lab Invest ; 70(6): 404-9, 2010 Oct.
Article in English | MEDLINE | ID: mdl-20602576

ABSTRACT

The aim was to evaluate if the Dried Blood Spot (DBS)-technique can be used to analyse C-peptide. S-C-peptide and paired whole blood clotted on filters, dried, punched out and eluted were sampled from 198 healthy subjects. Six subjects with S-C-peptide values outside the reference range were excluded. A conversion formula using log-DBS-C-peptide was generated in a subset of 156 (∼80%) subjects with predictions made using also storage time (eluates) and age of subjects: (log S-C-peptide = 1.696 + 1.367 log DBS-C-peptide + 0.058 (storage time/month) + 0.014 (age/10 years). This formula was cross validated into the original population. Using Bland-Altman plots, mean difference between converted log DBS-C-peptide and log S-C-peptide at baseline was 0 and limits of agreements were -0.18 to +0.18. Mean difference between converted log DBS-C-peptide values after six months and log S-C-peptide value from baseline was -0.01 and limits of agreement were -0.20-0.19. The lowest value detected with the DBS-technique corresponded to serum C-peptide 0.44 nmol/L. We concluded that DBS-C-peptide can be used as a first line screening test to monitor normal beta cell function. C-peptide on filters remained stable for six months.


Subject(s)
Blood Specimen Collection/methods , C-Peptide/blood , Desiccation , Adult , Aged , Blood Chemical Analysis , Female , Humans , Limit of Detection , Male , Middle Aged , Reference Values , Reproducibility of Results , Young Adult
18.
Transplantation ; 87(9): 1325-9, 2009 May 15.
Article in English | MEDLINE | ID: mdl-19424032

ABSTRACT

UNLABELLED: We performed a prospective, double blind, randomized, placebo-controlled multicenter study on the efficacy and safety of rituximab as induction therapy, together with tacrolimus, mycophenolate mofetil, and steroids. The primary endpoint was defined as acute rejection, graft loss, or death during the first 6 months. Secondary endpoints were creatinine clearance, incidence of infections, and incidence of rituximab-related adverse event. RESULTS: We enrolled 140 patients (44 living donor and 96 deceased donor), and of those, 68 rituximab and 68 placebo patients fulfilled the study. In all the patients receiving rituximab, there was a complete depletion of CD19/CD20 cells, whereas there was no change in the number of CD19/CD20 cells in the placebo group. There were 10 treatment failures in the rituximab group versus 14 in the placebo group (P=0.348). There were eight rejection episodes in the rituximab group versus 12 in the placebo group (P=0.317) Creatinine clearance was 66+/-22 mL/min in the study group and 67+/-23 mL/min in the placebo group. There was no difference in the number of bacterial infections, cytomegalovirus infections, and BK virus infections or fungal infections. CONCLUSION: We performed a placebo-controlled study of rituximab induction in renal transplantation. There was a tendency toward fewer and milder rejections during the first 6 months in the rituximab group. Although induction with one dose of rituximab induced a complete depletion B cells, there was no increase in the incidence of infectious complications or leukopenia and it seems safe, therefore, to conduct further studies on the use of rituximab in transplantation.


Subject(s)
Antibodies, Monoclonal/therapeutic use , Immunologic Factors/therapeutic use , Kidney Transplantation/immunology , Adult , Antibodies, Monoclonal/administration & dosage , Antibodies, Monoclonal, Murine-Derived , Antigens, CD/analysis , Antigens, CD19/analysis , Antigens, CD20/analysis , Cadaver , Double-Blind Method , Female , Graft Rejection/epidemiology , Humans , Immunologic Factors/administration & dosage , Immunosuppressive Agents/therapeutic use , Kidney Transplantation/mortality , Living Donors , Lymphocyte Depletion , Male , Middle Aged , Mycophenolic Acid/analogs & derivatives , Mycophenolic Acid/therapeutic use , Placebos , Reoperation/statistics & numerical data , Rituximab , Safety , Survival Analysis , Tissue Donors , Treatment Outcome
20.
J Chem Phys ; 123(20): 204718, 2005 Nov 22.
Article in English | MEDLINE | ID: mdl-16351304

ABSTRACT

In a joint experimental and theoretical work the optical response and excited-state character of two novel conjugated polymers for photovoltaic applications are studied. The polymers, alternating polyfluorene (APFO) Green 1 and APFO Green 2, are both copolymers of fluorene, thiophene, and electron accepting groups. The band gaps are extended into the red and near infrared with onsets of 780 and 1000 nm, respectively, due to alternating donor and acceptor moieties along the polymer chain. Spectroscopic ellipsometry and subsequent modeling made it possible to extract the dielectric function in the range of 260-1200 nm. Semiempirical quantum chemical calculations (ZINDO) revealed the character of the main electronic transitions in the studied spectral region. The spectral band just above 400 nm was assigned to a delocalized pi-pi* transition for both polymers. The red band lying at 622 and 767 nm in the two polymers corresponds to an electronic state mainly occupying the acceptor units and having a strong charge-transfer character. We show that the ZINDO transition energies are valuable input to the application of Lorentz oscillators in modeling of the dielectric function of the polymer material.


Subject(s)
Caprylates/chemistry , Chemistry, Physical/methods , Fluorocarbons/chemistry , Photochemistry/instrumentation , Photochemistry/methods , Electrons , Fluorenes/chemistry , Models, Chemical , Models, Molecular , Models, Statistical , Molecular Conformation , Oscillometry , Polymers/chemistry , Quantum Theory , Spectrophotometry, Ultraviolet , Spectroscopy, Near-Infrared
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